USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 774 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 80 CYS SG : rot -80:sc= 1.45 USER MOD Set 1.2: A 82 THR OG1 : rot 157:sc= 0.99 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0143 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 131:sc= -0.0575 (180deg=-0.444) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.46) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 155:sc=-0.00202 (180deg=-0.424) USER MOD Single : A 41 THR OG1 : rot -4:sc= 1.15 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0.0241 X(o=0.024,f=-0.17) USER MOD Single : A 59 TYR OH : rot 167:sc= 0.116 USER MOD Single : A 61 CYS SG : rot 180:sc= -1.99! USER MOD Single : A 65 TYR OH : rot 131:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.21 K(o=-0.21,f=-3.4!) USER MOD Single : A 73 SER OG : rot 41:sc= 0.533 USER MOD Single : A 76 SER OG : rot 156:sc= 0.555 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 CYS SG : rot -170:sc= -1.26 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.461 X(o=-0.46,f=-0.33) USER MOD Single : A 102 GLN : amide:sc= 0.447 X(o=0.45,f=0) USER MOD Single : A 105 MET CE :methyl 165:sc= -1.33 (180deg=-1.93) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 140 HIS : no HD1:sc= -0.0387 X(o=-0.039,f=-0.42) USER MOD Single : A 143 CYS SG : rot 180:sc= -1.05 USER MOD Single : A 145 ASN : amide:sc= -0.251 K(o=-0.25,f=-2.9!) USER MOD Single : A 147 ASN : amide:sc= -0.533! C(o=-0.53!,f=-7.1!) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 19 11.324 -6.348 -3.499 1.00 0.00 N ATOM 235 CA THR A 19 10.243 -6.131 -4.451 1.00 0.00 C ATOM 236 C THR A 19 8.901 -6.555 -3.865 1.00 0.00 C ATOM 237 O THR A 19 8.031 -5.721 -3.612 1.00 0.00 O ATOM 238 CB THR A 19 10.485 -6.905 -5.761 1.00 0.00 C ATOM 239 OG1 THR A 19 10.651 -8.300 -5.483 1.00 0.00 O ATOM 240 CG2 THR A 19 11.716 -6.376 -6.482 1.00 0.00 C ATOM 0 HA THR A 19 10.221 -5.063 -4.667 1.00 0.00 H new ATOM 0 HB THR A 19 9.617 -6.765 -6.406 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.803 -8.785 -6.321 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.867 -6.938 -7.404 1.00 0.00 H new ATOM 0 HG22 THR A 19 11.574 -5.321 -6.719 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.590 -6.490 -5.841 1.00 0.00 H new ATOM 248 N LYS A 20 8.739 -7.856 -3.650 1.00 0.00 N ATOM 249 CA LYS A 20 7.503 -8.392 -3.091 1.00 0.00 C ATOM 250 C LYS A 20 7.390 -8.062 -1.606 1.00 0.00 C ATOM 251 O LYS A 20 8.397 -7.935 -0.910 1.00 0.00 O ATOM 252 CB LYS A 20 7.442 -9.907 -3.294 1.00 0.00 C ATOM 253 CG LYS A 20 6.913 -10.318 -4.657 1.00 0.00 C ATOM 254 CD LYS A 20 7.384 -11.710 -5.042 1.00 0.00 C ATOM 255 CE LYS A 20 8.823 -11.696 -5.535 1.00 0.00 C ATOM 256 NZ LYS A 20 9.153 -12.917 -6.321 1.00 0.00 N ATOM 0 H LYS A 20 9.449 -8.560 -3.855 1.00 0.00 H new ATOM 0 HA LYS A 20 6.666 -7.928 -3.613 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.440 -10.323 -3.161 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.809 -10.343 -2.521 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.823 -10.291 -4.648 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.244 -9.600 -5.408 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.300 -12.374 -4.182 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.736 -12.112 -5.820 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.987 -10.812 -6.152 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.498 -11.620 -4.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.142 -12.869 -6.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.021 -13.759 -5.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.526 -12.977 -7.149 1.00 0.00 H new ATOM 270 N PHE A 21 6.158 -7.925 -1.128 1.00 0.00 N ATOM 271 CA PHE A 21 5.913 -7.611 0.275 1.00 0.00 C ATOM 272 C PHE A 21 4.683 -8.352 0.792 1.00 0.00 C ATOM 273 O PHE A 21 3.568 -8.133 0.319 1.00 0.00 O ATOM 274 CB PHE A 21 5.727 -6.103 0.457 1.00 0.00 C ATOM 275 CG PHE A 21 6.976 -5.310 0.196 1.00 0.00 C ATOM 276 CD1 PHE A 21 7.297 -4.901 -1.088 1.00 0.00 C ATOM 277 CD2 PHE A 21 7.828 -4.972 1.235 1.00 0.00 C ATOM 278 CE1 PHE A 21 8.446 -4.172 -1.331 1.00 0.00 C ATOM 279 CE2 PHE A 21 8.978 -4.243 0.999 1.00 0.00 C ATOM 280 CZ PHE A 21 9.287 -3.841 -0.286 1.00 0.00 C ATOM 0 H PHE A 21 5.314 -8.026 -1.691 1.00 0.00 H new ATOM 0 HA PHE A 21 6.780 -7.936 0.851 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.940 -5.758 -0.214 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.387 -5.907 1.474 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.642 -5.155 -1.908 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.590 -5.282 2.242 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.686 -3.861 -2.337 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.634 -3.988 1.818 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.184 -3.269 -0.473 1.00 0.00 H new ATOM 290 N LYS A 22 4.895 -9.230 1.766 1.00 0.00 N ATOM 291 CA LYS A 22 3.806 -10.004 2.349 1.00 0.00 C ATOM 292 C LYS A 22 2.766 -9.087 2.985 1.00 0.00 C ATOM 293 O LYS A 22 3.098 -8.228 3.802 1.00 0.00 O ATOM 294 CB LYS A 22 4.350 -10.979 3.396 1.00 0.00 C ATOM 295 CG LYS A 22 5.337 -11.987 2.834 1.00 0.00 C ATOM 296 CD LYS A 22 4.669 -12.936 1.854 1.00 0.00 C ATOM 297 CE LYS A 22 5.591 -14.084 1.472 1.00 0.00 C ATOM 298 NZ LYS A 22 5.952 -14.921 2.650 1.00 0.00 N ATOM 0 H LYS A 22 5.812 -9.423 2.169 1.00 0.00 H new ATOM 0 HA LYS A 22 3.326 -10.569 1.550 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.835 -10.412 4.191 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.516 -11.514 3.850 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.151 -11.461 2.335 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.780 -12.558 3.650 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.756 -13.334 2.296 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.377 -12.389 0.958 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.105 -14.706 0.720 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.498 -13.686 1.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.805 -15.925 2.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.951 -14.764 2.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.352 -14.659 3.459 1.00 0.00 H new ATOM 312 N VAL A 23 1.506 -9.276 2.605 1.00 0.00 N ATOM 313 CA VAL A 23 0.417 -8.467 3.139 1.00 0.00 C ATOM 314 C VAL A 23 -0.790 -9.331 3.485 1.00 0.00 C ATOM 315 O VAL A 23 -0.799 -10.536 3.231 1.00 0.00 O ATOM 316 CB VAL A 23 -0.014 -7.376 2.141 1.00 0.00 C ATOM 317 CG1 VAL A 23 1.177 -6.521 1.737 1.00 0.00 C ATOM 318 CG2 VAL A 23 -0.671 -8.002 0.920 1.00 0.00 C ATOM 0 H VAL A 23 1.214 -9.982 1.929 1.00 0.00 H new ATOM 0 HA VAL A 23 0.791 -7.991 4.045 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.745 -6.730 2.628 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.853 -5.756 1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.599 -6.044 2.621 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.934 -7.150 1.268 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.970 -7.217 0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.036 -8.671 0.430 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.551 -8.566 1.229 1.00 0.00 H new ATOM 328 N THR A 24 -1.811 -8.707 4.066 1.00 0.00 N ATOM 329 CA THR A 24 -3.024 -9.418 4.447 1.00 0.00 C ATOM 330 C THR A 24 -4.252 -8.526 4.303 1.00 0.00 C ATOM 331 O THR A 24 -4.327 -7.455 4.905 1.00 0.00 O ATOM 332 CB THR A 24 -2.943 -9.931 5.897 1.00 0.00 C ATOM 333 OG1 THR A 24 -1.799 -10.777 6.054 1.00 0.00 O ATOM 334 CG2 THR A 24 -4.202 -10.698 6.271 1.00 0.00 C ATOM 0 H THR A 24 -1.821 -7.710 4.283 1.00 0.00 H new ATOM 0 HA THR A 24 -3.116 -10.270 3.773 1.00 0.00 H new ATOM 0 HB THR A 24 -2.851 -9.070 6.559 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.754 -11.098 6.979 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.121 -11.050 7.299 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.068 -10.043 6.179 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.320 -11.551 5.603 1.00 0.00 H new ATOM 342 N ASN A 25 -5.214 -8.975 3.503 1.00 0.00 N ATOM 343 CA ASN A 25 -6.440 -8.217 3.281 1.00 0.00 C ATOM 344 C ASN A 25 -7.240 -8.086 4.574 1.00 0.00 C ATOM 345 O ASN A 25 -7.435 -9.062 5.298 1.00 0.00 O ATOM 346 CB ASN A 25 -7.294 -8.891 2.206 1.00 0.00 C ATOM 347 CG ASN A 25 -8.453 -8.022 1.758 1.00 0.00 C ATOM 348 OD1 ASN A 25 -9.609 -8.443 1.795 1.00 0.00 O ATOM 349 ND2 ASN A 25 -8.147 -6.802 1.333 1.00 0.00 N ATOM 0 H ASN A 25 -5.168 -9.860 2.998 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.164 -7.218 2.942 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.669 -9.129 1.346 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.679 -9.835 2.591 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.885 -6.171 1.020 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.174 -6.496 1.320 1.00 0.00 H new ATOM 356 N VAL A 26 -7.702 -6.872 4.856 1.00 0.00 N ATOM 357 CA VAL A 26 -8.483 -6.613 6.060 1.00 0.00 C ATOM 358 C VAL A 26 -9.709 -5.761 5.747 1.00 0.00 C ATOM 359 O VAL A 26 -9.867 -5.269 4.630 1.00 0.00 O ATOM 360 CB VAL A 26 -7.639 -5.902 7.134 1.00 0.00 C ATOM 361 CG1 VAL A 26 -6.406 -6.725 7.476 1.00 0.00 C ATOM 362 CG2 VAL A 26 -7.247 -4.508 6.668 1.00 0.00 C ATOM 0 H VAL A 26 -7.549 -6.053 4.268 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.805 -7.581 6.443 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.242 -5.802 8.037 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.822 -6.207 8.236 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.713 -7.700 7.856 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.798 -6.859 6.581 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.651 -4.021 7.440 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.663 -4.582 5.751 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.146 -3.921 6.479 1.00 0.00 H new ATOM 372 N ASP A 27 -10.573 -5.592 6.741 1.00 0.00 N ATOM 373 CA ASP A 27 -11.785 -4.798 6.574 1.00 0.00 C ATOM 374 C ASP A 27 -11.644 -3.440 7.253 1.00 0.00 C ATOM 375 O ASP A 27 -10.579 -3.101 7.769 1.00 0.00 O ATOM 376 CB ASP A 27 -12.992 -5.544 7.144 1.00 0.00 C ATOM 377 CG ASP A 27 -12.643 -6.352 8.378 1.00 0.00 C ATOM 378 OD1 ASP A 27 -12.391 -5.740 9.437 1.00 0.00 O ATOM 379 OD2 ASP A 27 -12.622 -7.597 8.286 1.00 0.00 O ATOM 0 H ASP A 27 -10.457 -5.994 7.671 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.938 -4.636 5.507 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -13.775 -4.827 7.392 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.398 -6.208 6.381 1.00 0.00 H new ATOM 384 N ASP A 28 -12.724 -2.666 7.248 1.00 0.00 N ATOM 385 CA ASP A 28 -12.720 -1.344 7.864 1.00 0.00 C ATOM 386 C ASP A 28 -12.139 -1.403 9.273 1.00 0.00 C ATOM 387 O ASP A 28 -11.354 -0.541 9.666 1.00 0.00 O ATOM 388 CB ASP A 28 -14.139 -0.774 7.907 1.00 0.00 C ATOM 389 CG ASP A 28 -15.007 -1.460 8.943 1.00 0.00 C ATOM 390 OD1 ASP A 28 -14.956 -2.705 9.030 1.00 0.00 O ATOM 391 OD2 ASP A 28 -15.737 -0.752 9.667 1.00 0.00 O ATOM 0 H ASP A 28 -13.613 -2.931 6.824 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.092 -0.690 7.259 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.092 0.293 8.125 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.599 -0.879 6.925 1.00 0.00 H new ATOM 396 N GLU A 29 -12.533 -2.424 10.028 1.00 0.00 N ATOM 397 CA GLU A 29 -12.052 -2.593 11.394 1.00 0.00 C ATOM 398 C GLU A 29 -10.578 -2.986 11.407 1.00 0.00 C ATOM 399 O GLU A 29 -9.780 -2.421 12.154 1.00 0.00 O ATOM 400 CB GLU A 29 -12.880 -3.653 12.123 1.00 0.00 C ATOM 401 CG GLU A 29 -14.266 -3.174 12.523 1.00 0.00 C ATOM 402 CD GLU A 29 -14.232 -2.186 13.673 1.00 0.00 C ATOM 403 OE1 GLU A 29 -13.823 -2.583 14.784 1.00 0.00 O ATOM 404 OE2 GLU A 29 -14.614 -1.016 13.461 1.00 0.00 O ATOM 0 H GLU A 29 -13.183 -3.146 9.717 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.161 -1.639 11.910 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.979 -4.529 11.482 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.343 -3.971 13.017 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.748 -2.709 11.663 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.876 -4.032 12.804 1.00 0.00 H new ATOM 411 N GLY A 30 -10.223 -3.961 10.575 1.00 0.00 N ATOM 412 CA GLY A 30 -8.847 -4.414 10.507 1.00 0.00 C ATOM 413 C GLY A 30 -8.707 -5.892 10.813 1.00 0.00 C ATOM 414 O GLY A 30 -7.673 -6.335 11.313 1.00 0.00 O ATOM 0 H GLY A 30 -10.865 -4.445 9.947 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.450 -4.213 9.512 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.244 -3.842 11.212 1.00 0.00 H new ATOM 418 N VAL A 31 -9.752 -6.658 10.516 1.00 0.00 N ATOM 419 CA VAL A 31 -9.742 -8.095 10.763 1.00 0.00 C ATOM 420 C VAL A 31 -9.130 -8.850 9.589 1.00 0.00 C ATOM 421 O VAL A 31 -9.576 -8.713 8.450 1.00 0.00 O ATOM 422 CB VAL A 31 -11.163 -8.630 11.020 1.00 0.00 C ATOM 423 CG1 VAL A 31 -11.123 -10.113 11.355 1.00 0.00 C ATOM 424 CG2 VAL A 31 -11.836 -7.841 12.133 1.00 0.00 C ATOM 0 H VAL A 31 -10.617 -6.307 10.104 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.134 -8.259 11.653 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.750 -8.504 10.110 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -12.136 -10.473 11.533 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.684 -10.662 10.522 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.520 -10.268 12.250 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.839 -8.233 12.301 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.252 -7.933 13.049 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.900 -6.791 11.848 1.00 0.00 H new ATOM 434 N GLU A 32 -8.107 -9.649 9.875 1.00 0.00 N ATOM 435 CA GLU A 32 -7.434 -10.427 8.842 1.00 0.00 C ATOM 436 C GLU A 32 -8.427 -11.310 8.091 1.00 0.00 C ATOM 437 O GLU A 32 -9.093 -12.159 8.686 1.00 0.00 O ATOM 438 CB GLU A 32 -6.332 -11.291 9.458 1.00 0.00 C ATOM 439 CG GLU A 32 -5.175 -10.487 10.028 1.00 0.00 C ATOM 440 CD GLU A 32 -4.408 -11.243 11.095 1.00 0.00 C ATOM 441 OE1 GLU A 32 -3.995 -12.391 10.826 1.00 0.00 O ATOM 442 OE2 GLU A 32 -4.221 -10.689 12.198 1.00 0.00 O ATOM 0 H GLU A 32 -7.726 -9.774 10.813 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.986 -9.730 8.134 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.762 -11.904 10.250 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.950 -11.973 8.699 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.495 -10.215 9.221 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.557 -9.558 10.450 1.00 0.00 H new ATOM 449 N LEU A 33 -8.523 -11.103 6.783 1.00 0.00 N ATOM 450 CA LEU A 33 -9.435 -11.879 5.950 1.00 0.00 C ATOM 451 C LEU A 33 -8.679 -12.942 5.158 1.00 0.00 C ATOM 452 O LEU A 33 -8.937 -14.136 5.300 1.00 0.00 O ATOM 453 CB LEU A 33 -10.193 -10.957 4.993 1.00 0.00 C ATOM 454 CG LEU A 33 -11.002 -9.834 5.643 1.00 0.00 C ATOM 455 CD1 LEU A 33 -11.519 -8.869 4.588 1.00 0.00 C ATOM 456 CD2 LEU A 33 -12.155 -10.408 6.454 1.00 0.00 C ATOM 0 H LEU A 33 -7.980 -10.404 6.276 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.149 -12.379 6.605 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.475 -10.510 4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.870 -11.566 4.394 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.347 -9.284 6.319 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.092 -8.077 5.069 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.677 -8.433 4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.159 -9.405 3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.720 -9.595 6.909 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.810 -10.982 5.799 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.762 -11.059 7.235 1.00 0.00 H new ATOM 468 N GLY A 34 -7.743 -12.497 4.325 1.00 0.00 N ATOM 469 CA GLY A 34 -6.962 -13.423 3.525 1.00 0.00 C ATOM 470 C GLY A 34 -5.534 -12.956 3.327 1.00 0.00 C ATOM 471 O GLY A 34 -5.284 -11.766 3.133 1.00 0.00 O ATOM 0 H GLY A 34 -7.512 -11.513 4.190 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.958 -14.401 4.007 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.438 -13.549 2.553 1.00 0.00 H new ATOM 475 N SER A 35 -4.594 -13.894 3.377 1.00 0.00 N ATOM 476 CA SER A 35 -3.182 -13.572 3.207 1.00 0.00 C ATOM 477 C SER A 35 -2.799 -13.571 1.730 1.00 0.00 C ATOM 478 O SER A 35 -3.267 -14.405 0.956 1.00 0.00 O ATOM 479 CB SER A 35 -2.313 -14.572 3.971 1.00 0.00 C ATOM 480 OG SER A 35 -2.526 -15.893 3.504 1.00 0.00 O ATOM 0 H SER A 35 -4.785 -14.884 3.534 1.00 0.00 H new ATOM 0 HA SER A 35 -3.012 -12.573 3.609 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.262 -14.307 3.856 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.541 -14.518 5.036 1.00 0.00 H new ATOM 0 HG SER A 35 -1.958 -16.513 4.007 1.00 0.00 H new ATOM 486 N GLY A 36 -1.944 -12.628 1.347 1.00 0.00 N ATOM 487 CA GLY A 36 -1.511 -12.535 -0.035 1.00 0.00 C ATOM 488 C GLY A 36 -0.168 -11.849 -0.178 1.00 0.00 C ATOM 489 O GLY A 36 0.319 -11.220 0.762 1.00 0.00 O ATOM 0 H GLY A 36 -1.543 -11.926 1.969 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.451 -13.536 -0.462 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.258 -11.988 -0.610 1.00 0.00 H new ATOM 493 N VAL A 37 0.435 -11.970 -1.356 1.00 0.00 N ATOM 494 CA VAL A 37 1.731 -11.357 -1.619 1.00 0.00 C ATOM 495 C VAL A 37 1.596 -10.172 -2.569 1.00 0.00 C ATOM 496 O VAL A 37 1.105 -10.314 -3.688 1.00 0.00 O ATOM 497 CB VAL A 37 2.722 -12.372 -2.220 1.00 0.00 C ATOM 498 CG1 VAL A 37 4.050 -11.701 -2.533 1.00 0.00 C ATOM 499 CG2 VAL A 37 2.918 -13.547 -1.274 1.00 0.00 C ATOM 0 H VAL A 37 0.046 -12.488 -2.144 1.00 0.00 H new ATOM 0 HA VAL A 37 2.116 -11.009 -0.660 1.00 0.00 H new ATOM 0 HB VAL A 37 2.306 -12.751 -3.153 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.737 -12.434 -2.957 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.891 -10.896 -3.250 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.476 -11.292 -1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.621 -14.255 -1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.312 -13.187 -0.324 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.962 -14.042 -1.106 1.00 0.00 H new ATOM 509 N MET A 38 2.036 -9.003 -2.114 1.00 0.00 N ATOM 510 CA MET A 38 1.966 -7.793 -2.925 1.00 0.00 C ATOM 511 C MET A 38 3.259 -7.587 -3.707 1.00 0.00 C ATOM 512 O MET A 38 4.353 -7.693 -3.154 1.00 0.00 O ATOM 513 CB MET A 38 1.692 -6.575 -2.040 1.00 0.00 C ATOM 514 CG MET A 38 1.426 -5.301 -2.824 1.00 0.00 C ATOM 515 SD MET A 38 -0.208 -5.282 -3.585 1.00 0.00 S ATOM 516 CE MET A 38 -1.244 -4.991 -2.154 1.00 0.00 C ATOM 0 H MET A 38 2.444 -8.868 -1.189 1.00 0.00 H new ATOM 0 HA MET A 38 1.147 -7.909 -3.635 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.833 -6.785 -1.403 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.546 -6.415 -1.382 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.523 -4.443 -2.159 1.00 0.00 H new ATOM 0 HG3 MET A 38 2.185 -5.191 -3.599 1.00 0.00 H new ATOM 0 HE1 MET A 38 -2.176 -4.523 -2.469 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.462 -5.940 -1.664 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.725 -4.333 -1.457 1.00 0.00 H new ATOM 526 N GLU A 39 3.125 -7.292 -4.997 1.00 0.00 N ATOM 527 CA GLU A 39 4.284 -7.073 -5.854 1.00 0.00 C ATOM 528 C GLU A 39 4.214 -5.703 -6.523 1.00 0.00 C ATOM 529 O GLU A 39 3.148 -5.266 -6.960 1.00 0.00 O ATOM 530 CB GLU A 39 4.373 -8.168 -6.919 1.00 0.00 C ATOM 531 CG GLU A 39 5.636 -8.097 -7.761 1.00 0.00 C ATOM 532 CD GLU A 39 5.580 -9.005 -8.974 1.00 0.00 C ATOM 533 OE1 GLU A 39 5.565 -10.240 -8.790 1.00 0.00 O ATOM 534 OE2 GLU A 39 5.551 -8.480 -10.107 1.00 0.00 O ATOM 0 H GLU A 39 2.226 -7.199 -5.470 1.00 0.00 H new ATOM 0 HA GLU A 39 5.177 -7.109 -5.230 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.326 -9.142 -6.432 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.505 -8.097 -7.574 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.793 -7.069 -8.088 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.494 -8.370 -7.146 1.00 0.00 H new ATOM 541 N LEU A 40 5.357 -5.030 -6.600 1.00 0.00 N ATOM 542 CA LEU A 40 5.427 -3.709 -7.215 1.00 0.00 C ATOM 543 C LEU A 40 6.431 -3.695 -8.362 1.00 0.00 C ATOM 544 O LEU A 40 7.640 -3.792 -8.146 1.00 0.00 O ATOM 545 CB LEU A 40 5.813 -2.659 -6.172 1.00 0.00 C ATOM 546 CG LEU A 40 4.654 -1.981 -5.440 1.00 0.00 C ATOM 547 CD1 LEU A 40 4.186 -2.836 -4.273 1.00 0.00 C ATOM 548 CD2 LEU A 40 5.063 -0.596 -4.959 1.00 0.00 C ATOM 0 H LEU A 40 6.248 -5.377 -6.244 1.00 0.00 H new ATOM 0 HA LEU A 40 4.442 -3.470 -7.616 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.457 -3.132 -5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.406 -1.888 -6.664 1.00 0.00 H new ATOM 0 HG LEU A 40 3.824 -1.870 -6.138 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.361 -2.337 -3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.851 -3.805 -4.643 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.010 -2.979 -3.574 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.226 -0.129 -4.441 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.909 -0.683 -4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.348 0.017 -5.814 1.00 0.00 H new ATOM 560 N THR A 41 5.923 -3.572 -9.585 1.00 0.00 N ATOM 561 CA THR A 41 6.775 -3.545 -10.767 1.00 0.00 C ATOM 562 C THR A 41 6.660 -2.211 -11.497 1.00 0.00 C ATOM 563 O THR A 41 5.567 -1.665 -11.639 1.00 0.00 O ATOM 564 CB THR A 41 6.420 -4.683 -11.742 1.00 0.00 C ATOM 565 OG1 THR A 41 5.065 -4.545 -12.183 1.00 0.00 O ATOM 566 CG2 THR A 41 6.608 -6.040 -11.081 1.00 0.00 C ATOM 0 H THR A 41 4.926 -3.490 -9.782 1.00 0.00 H new ATOM 0 HA THR A 41 7.800 -3.680 -10.421 1.00 0.00 H new ATOM 0 HB THR A 41 7.089 -4.619 -12.600 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.644 -3.792 -11.717 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.351 -6.828 -11.789 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.647 -6.154 -10.773 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.960 -6.112 -10.207 1.00 0.00 H new ATOM 574 N GLN A 42 7.794 -1.694 -11.958 1.00 0.00 N ATOM 575 CA GLN A 42 7.819 -0.424 -12.673 1.00 0.00 C ATOM 576 C GLN A 42 6.561 -0.250 -13.517 1.00 0.00 C ATOM 577 O GLN A 42 5.937 0.811 -13.508 1.00 0.00 O ATOM 578 CB GLN A 42 9.061 -0.340 -13.563 1.00 0.00 C ATOM 579 CG GLN A 42 10.367 -0.479 -12.799 1.00 0.00 C ATOM 580 CD GLN A 42 11.583 -0.264 -13.679 1.00 0.00 C ATOM 581 OE1 GLN A 42 12.038 -1.180 -14.364 1.00 0.00 O ATOM 582 NE2 GLN A 42 12.117 0.952 -13.665 1.00 0.00 N ATOM 0 H GLN A 42 8.707 -2.135 -11.849 1.00 0.00 H new ATOM 0 HA GLN A 42 7.854 0.379 -11.936 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.008 -1.122 -14.321 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.057 0.615 -14.089 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.383 0.241 -11.981 1.00 0.00 H new ATOM 0 HG3 GLN A 42 10.418 -1.472 -12.351 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.708 1.682 -13.082 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.937 1.156 -14.237 1.00 0.00 H new ATOM 591 N SER A 43 6.194 -1.299 -14.247 1.00 0.00 N ATOM 592 CA SER A 43 5.012 -1.261 -15.100 1.00 0.00 C ATOM 593 C SER A 43 3.777 -0.860 -14.300 1.00 0.00 C ATOM 594 O SER A 43 3.277 0.257 -14.429 1.00 0.00 O ATOM 595 CB SER A 43 4.788 -2.624 -15.758 1.00 0.00 C ATOM 596 OG SER A 43 5.938 -3.042 -16.472 1.00 0.00 O ATOM 0 H SER A 43 6.698 -2.185 -14.265 1.00 0.00 H new ATOM 0 HA SER A 43 5.178 -0.514 -15.876 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.541 -3.363 -14.996 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.936 -2.568 -16.436 1.00 0.00 H new ATOM 0 HG SER A 43 5.769 -3.916 -16.881 1.00 0.00 H new ATOM 602 N GLU A 44 3.290 -1.781 -13.474 1.00 0.00 N ATOM 603 CA GLU A 44 2.113 -1.524 -12.653 1.00 0.00 C ATOM 604 C GLU A 44 2.172 -2.319 -11.352 1.00 0.00 C ATOM 605 O GLU A 44 3.101 -3.097 -11.128 1.00 0.00 O ATOM 606 CB GLU A 44 0.839 -1.880 -13.423 1.00 0.00 C ATOM 607 CG GLU A 44 0.739 -3.351 -13.787 1.00 0.00 C ATOM 608 CD GLU A 44 1.695 -3.744 -14.897 1.00 0.00 C ATOM 609 OE1 GLU A 44 1.536 -3.235 -16.025 1.00 0.00 O ATOM 610 OE2 GLU A 44 2.603 -4.561 -14.635 1.00 0.00 O ATOM 0 H GLU A 44 3.692 -2.711 -13.356 1.00 0.00 H new ATOM 0 HA GLU A 44 2.097 -0.462 -12.409 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.028 -1.603 -12.823 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.798 -1.285 -14.335 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.946 -3.955 -12.904 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.282 -3.577 -14.095 1.00 0.00 H new ATOM 617 N LEU A 45 1.177 -2.117 -10.496 1.00 0.00 N ATOM 618 CA LEU A 45 1.115 -2.814 -9.216 1.00 0.00 C ATOM 619 C LEU A 45 0.445 -4.176 -9.369 1.00 0.00 C ATOM 620 O LEU A 45 -0.700 -4.269 -9.812 1.00 0.00 O ATOM 621 CB LEU A 45 0.355 -1.971 -8.190 1.00 0.00 C ATOM 622 CG LEU A 45 0.848 -2.066 -6.746 1.00 0.00 C ATOM 623 CD1 LEU A 45 0.182 -1.005 -5.884 1.00 0.00 C ATOM 624 CD2 LEU A 45 0.585 -3.455 -6.183 1.00 0.00 C ATOM 0 H LEU A 45 0.402 -1.476 -10.665 1.00 0.00 H new ATOM 0 HA LEU A 45 2.135 -2.969 -8.865 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.402 -0.927 -8.501 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.695 -2.264 -8.215 1.00 0.00 H new ATOM 0 HG LEU A 45 1.924 -1.890 -6.737 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.545 -1.088 -4.860 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.421 -0.016 -6.275 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.898 -1.150 -5.899 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.942 -3.504 -5.154 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.485 -3.660 -6.206 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.109 -4.197 -6.785 1.00 0.00 H new ATOM 636 N VAL A 46 1.165 -5.229 -8.998 1.00 0.00 N ATOM 637 CA VAL A 46 0.639 -6.586 -9.090 1.00 0.00 C ATOM 638 C VAL A 46 0.365 -7.165 -7.707 1.00 0.00 C ATOM 639 O VAL A 46 1.116 -6.924 -6.761 1.00 0.00 O ATOM 640 CB VAL A 46 1.613 -7.515 -9.839 1.00 0.00 C ATOM 641 CG1 VAL A 46 1.021 -8.909 -9.978 1.00 0.00 C ATOM 642 CG2 VAL A 46 1.959 -6.936 -11.203 1.00 0.00 C ATOM 0 H VAL A 46 2.115 -5.169 -8.631 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.296 -6.526 -9.647 1.00 0.00 H new ATOM 0 HB VAL A 46 2.532 -7.593 -9.258 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.723 -9.551 -10.510 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.829 -9.323 -8.988 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.086 -8.853 -10.536 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.648 -7.605 -11.718 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.049 -6.827 -11.793 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.428 -5.960 -11.076 1.00 0.00 H new ATOM 652 N LEU A 47 -0.716 -7.929 -7.596 1.00 0.00 N ATOM 653 CA LEU A 47 -1.091 -8.544 -6.327 1.00 0.00 C ATOM 654 C LEU A 47 -1.480 -10.006 -6.525 1.00 0.00 C ATOM 655 O LEU A 47 -2.339 -10.325 -7.348 1.00 0.00 O ATOM 656 CB LEU A 47 -2.250 -7.777 -5.689 1.00 0.00 C ATOM 657 CG LEU A 47 -2.414 -7.944 -4.178 1.00 0.00 C ATOM 658 CD1 LEU A 47 -3.686 -7.259 -3.700 1.00 0.00 C ATOM 659 CD2 LEU A 47 -2.427 -9.418 -3.802 1.00 0.00 C ATOM 0 H LEU A 47 -1.348 -8.138 -8.369 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.228 -8.504 -5.662 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.120 -6.717 -5.905 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.176 -8.090 -6.172 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.564 -7.472 -3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.786 -7.388 -2.622 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.637 -6.196 -3.935 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.548 -7.702 -4.200 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.544 -9.517 -2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.257 -9.914 -4.305 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.489 -9.880 -4.109 1.00 0.00 H new ATOM 671 N HIS A 48 -0.846 -10.890 -5.762 1.00 0.00 N ATOM 672 CA HIS A 48 -1.128 -12.318 -5.851 1.00 0.00 C ATOM 673 C HIS A 48 -2.180 -12.729 -4.826 1.00 0.00 C ATOM 674 O HIS A 48 -1.930 -12.706 -3.620 1.00 0.00 O ATOM 675 CB HIS A 48 0.152 -13.127 -5.637 1.00 0.00 C ATOM 676 CG HIS A 48 1.236 -12.804 -6.619 1.00 0.00 C ATOM 677 ND1 HIS A 48 1.323 -13.391 -7.863 1.00 0.00 N ATOM 678 CD2 HIS A 48 2.280 -11.947 -6.534 1.00 0.00 C ATOM 679 CE1 HIS A 48 2.376 -12.911 -8.501 1.00 0.00 C ATOM 680 NE2 HIS A 48 2.974 -12.032 -7.716 1.00 0.00 N ATOM 0 H HIS A 48 -0.134 -10.643 -5.075 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.517 -12.524 -6.848 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.522 -12.946 -4.628 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.084 -14.189 -5.705 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.522 -11.314 -5.693 1.00 0.00 H new ATOM 0 HE1 HIS A 48 2.694 -13.190 -9.495 1.00 0.00 H new ATOM 0 HE2 HIS A 48 3.814 -11.503 -7.950 1.00 0.00 H new ATOM 689 N LEU A 49 -3.358 -13.103 -5.312 1.00 0.00 N ATOM 690 CA LEU A 49 -4.450 -13.519 -4.438 1.00 0.00 C ATOM 691 C LEU A 49 -4.710 -15.016 -4.565 1.00 0.00 C ATOM 692 O LEU A 49 -4.229 -15.664 -5.495 1.00 0.00 O ATOM 693 CB LEU A 49 -5.723 -12.739 -4.773 1.00 0.00 C ATOM 694 CG LEU A 49 -5.632 -11.218 -4.643 1.00 0.00 C ATOM 695 CD1 LEU A 49 -6.858 -10.556 -5.253 1.00 0.00 C ATOM 696 CD2 LEU A 49 -5.477 -10.816 -3.183 1.00 0.00 C ATOM 0 H LEU A 49 -3.582 -13.127 -6.307 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.160 -13.306 -3.409 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.014 -12.979 -5.796 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.523 -13.092 -4.123 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.752 -10.878 -5.188 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.776 -9.474 -5.151 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.925 -10.817 -6.309 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -7.753 -10.902 -4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.414 -9.730 -3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.338 -11.169 -2.615 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.568 -11.261 -2.778 1.00 0.00 H new ATOM 789 N ALA A 54 -4.755 -12.963 -10.201 1.00 0.00 N ATOM 790 CA ALA A 54 -3.824 -11.853 -10.047 1.00 0.00 C ATOM 791 C ALA A 54 -4.411 -10.562 -10.607 1.00 0.00 C ATOM 792 O ALA A 54 -4.917 -10.533 -11.730 1.00 0.00 O ATOM 793 CB ALA A 54 -2.503 -12.174 -10.731 1.00 0.00 C ATOM 0 HA ALA A 54 -3.644 -11.707 -8.982 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.817 -11.336 -10.608 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.069 -13.068 -10.283 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.676 -12.349 -11.793 1.00 0.00 H new ATOM 799 N VAL A 55 -4.343 -9.495 -9.818 1.00 0.00 N ATOM 800 CA VAL A 55 -4.868 -8.200 -10.235 1.00 0.00 C ATOM 801 C VAL A 55 -3.740 -7.208 -10.497 1.00 0.00 C ATOM 802 O VAL A 55 -2.715 -7.223 -9.815 1.00 0.00 O ATOM 803 CB VAL A 55 -5.818 -7.612 -9.176 1.00 0.00 C ATOM 804 CG1 VAL A 55 -6.320 -6.243 -9.610 1.00 0.00 C ATOM 805 CG2 VAL A 55 -6.981 -8.558 -8.919 1.00 0.00 C ATOM 0 H VAL A 55 -3.929 -9.502 -8.886 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.423 -8.366 -11.158 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.265 -7.491 -8.244 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.990 -5.843 -8.849 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.473 -5.569 -9.738 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.857 -6.335 -10.554 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.642 -8.126 -8.168 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.536 -8.713 -9.845 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.600 -9.514 -8.560 1.00 0.00 H new ATOM 815 N ARG A 56 -3.936 -6.346 -11.490 1.00 0.00 N ATOM 816 CA ARG A 56 -2.935 -5.347 -11.842 1.00 0.00 C ATOM 817 C ARG A 56 -3.520 -3.940 -11.765 1.00 0.00 C ATOM 818 O ARG A 56 -4.532 -3.643 -12.400 1.00 0.00 O ATOM 819 CB ARG A 56 -2.395 -5.610 -13.249 1.00 0.00 C ATOM 820 CG ARG A 56 -1.868 -7.022 -13.446 1.00 0.00 C ATOM 821 CD ARG A 56 -2.028 -7.481 -14.887 1.00 0.00 C ATOM 822 NE ARG A 56 -3.428 -7.705 -15.237 1.00 0.00 N ATOM 823 CZ ARG A 56 -3.930 -7.468 -16.444 1.00 0.00 C ATOM 824 NH1 ARG A 56 -3.151 -7.002 -17.410 1.00 0.00 N ATOM 825 NH2 ARG A 56 -5.215 -7.698 -16.686 1.00 0.00 N ATOM 0 H ARG A 56 -4.779 -6.320 -12.064 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.117 -5.421 -11.126 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.187 -5.423 -13.974 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.595 -4.900 -13.460 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.815 -7.061 -13.165 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.400 -7.706 -12.784 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.602 -6.733 -15.555 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.464 -8.401 -15.039 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.054 -8.063 -14.516 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.163 -6.824 -17.228 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.539 -6.821 -18.336 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.817 -8.057 -15.945 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.600 -7.516 -17.613 1.00 0.00 H new ATOM 839 N TRP A 57 -2.878 -3.080 -10.984 1.00 0.00 N ATOM 840 CA TRP A 57 -3.335 -1.704 -10.823 1.00 0.00 C ATOM 841 C TRP A 57 -2.265 -0.718 -11.278 1.00 0.00 C ATOM 842 O TRP A 57 -1.200 -0.599 -10.672 1.00 0.00 O ATOM 843 CB TRP A 57 -3.707 -1.436 -9.364 1.00 0.00 C ATOM 844 CG TRP A 57 -4.917 -2.195 -8.910 1.00 0.00 C ATOM 845 CD1 TRP A 57 -6.204 -2.012 -9.328 1.00 0.00 C ATOM 846 CD2 TRP A 57 -4.952 -3.256 -7.950 1.00 0.00 C ATOM 847 NE1 TRP A 57 -7.038 -2.895 -8.685 1.00 0.00 N ATOM 848 CE2 TRP A 57 -6.294 -3.670 -7.836 1.00 0.00 C ATOM 849 CE3 TRP A 57 -3.981 -3.899 -7.178 1.00 0.00 C ATOM 850 CZ2 TRP A 57 -6.686 -4.695 -6.979 1.00 0.00 C ATOM 851 CZ3 TRP A 57 -4.372 -4.916 -6.328 1.00 0.00 C ATOM 852 CH2 TRP A 57 -5.714 -5.307 -6.234 1.00 0.00 C ATOM 0 H TRP A 57 -2.039 -3.311 -10.452 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.218 -1.565 -11.447 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -2.862 -1.699 -8.727 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -3.886 -0.369 -9.232 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -6.520 -1.281 -10.057 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -8.047 -2.962 -8.818 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -2.944 -3.606 -7.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -7.720 -4.997 -6.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.630 -5.418 -5.725 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -5.987 -6.106 -5.561 1.00 0.00 H new ATOM 863 N PRO A 58 -2.552 0.007 -12.369 1.00 0.00 N ATOM 864 CA PRO A 58 -1.626 0.997 -12.928 1.00 0.00 C ATOM 865 C PRO A 58 -1.477 2.222 -12.033 1.00 0.00 C ATOM 866 O PRO A 58 -2.452 2.921 -11.754 1.00 0.00 O ATOM 867 CB PRO A 58 -2.278 1.382 -14.258 1.00 0.00 C ATOM 868 CG PRO A 58 -3.728 1.103 -14.063 1.00 0.00 C ATOM 869 CD PRO A 58 -3.802 -0.083 -13.141 1.00 0.00 C ATOM 0 HA PRO A 58 -0.617 0.598 -13.032 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.105 2.432 -14.495 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.870 0.798 -15.083 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -4.237 1.965 -13.631 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -4.215 0.889 -15.014 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.678 -0.035 -12.494 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -3.866 -1.019 -13.695 1.00 0.00 H new ATOM 877 N TYR A 59 -0.253 2.478 -11.586 1.00 0.00 N ATOM 878 CA TYR A 59 0.022 3.619 -10.720 1.00 0.00 C ATOM 879 C TYR A 59 -0.488 4.913 -11.347 1.00 0.00 C ATOM 880 O TYR A 59 -1.133 5.726 -10.683 1.00 0.00 O ATOM 881 CB TYR A 59 1.523 3.728 -10.447 1.00 0.00 C ATOM 882 CG TYR A 59 2.165 2.415 -10.061 1.00 0.00 C ATOM 883 CD1 TYR A 59 1.749 1.721 -8.931 1.00 0.00 C ATOM 884 CD2 TYR A 59 3.189 1.868 -10.824 1.00 0.00 C ATOM 885 CE1 TYR A 59 2.333 0.521 -8.573 1.00 0.00 C ATOM 886 CE2 TYR A 59 3.778 0.668 -10.475 1.00 0.00 C ATOM 887 CZ TYR A 59 3.347 -0.001 -9.349 1.00 0.00 C ATOM 888 OH TYR A 59 3.932 -1.196 -8.997 1.00 0.00 O ATOM 0 H TYR A 59 0.565 1.911 -11.809 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.501 3.462 -9.777 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.018 4.117 -11.337 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.687 4.452 -9.648 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.955 2.127 -8.322 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.531 2.390 -11.706 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.998 -0.005 -7.691 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.572 0.256 -11.081 1.00 0.00 H new ATOM 0 HH TYR A 59 4.476 -1.526 -9.742 1.00 0.00 H new ATOM 898 N LEU A 60 -0.194 5.097 -12.629 1.00 0.00 N ATOM 899 CA LEU A 60 -0.623 6.292 -13.348 1.00 0.00 C ATOM 900 C LEU A 60 -2.099 6.580 -13.094 1.00 0.00 C ATOM 901 O LEU A 60 -2.541 7.727 -13.177 1.00 0.00 O ATOM 902 CB LEU A 60 -0.374 6.126 -14.848 1.00 0.00 C ATOM 903 CG LEU A 60 -1.282 5.131 -15.572 1.00 0.00 C ATOM 904 CD1 LEU A 60 -2.548 5.819 -16.057 1.00 0.00 C ATOM 905 CD2 LEU A 60 -0.544 4.485 -16.736 1.00 0.00 C ATOM 0 H LEU A 60 0.339 4.435 -13.192 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.039 7.136 -12.981 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.483 7.100 -15.324 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.661 5.815 -14.992 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.565 4.348 -14.868 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.182 5.095 -16.570 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.086 6.233 -15.205 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.285 6.622 -16.745 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.205 3.780 -17.240 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.231 5.255 -17.441 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.333 3.956 -16.362 1.00 0.00 H new ATOM 917 N CYS A 61 -2.856 5.534 -12.783 1.00 0.00 N ATOM 918 CA CYS A 61 -4.283 5.674 -12.516 1.00 0.00 C ATOM 919 C CYS A 61 -4.531 5.993 -11.045 1.00 0.00 C ATOM 920 O CYS A 61 -5.534 6.617 -10.695 1.00 0.00 O ATOM 921 CB CYS A 61 -5.024 4.395 -12.906 1.00 0.00 C ATOM 922 SG CYS A 61 -5.114 4.107 -14.688 1.00 0.00 S ATOM 0 H CYS A 61 -2.505 4.579 -12.709 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.661 6.501 -13.117 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -4.530 3.544 -12.436 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.036 4.438 -12.504 1.00 0.00 H new ATOM 0 HG CYS A 61 -5.757 3.001 -14.917 1.00 0.00 H new ATOM 928 N LEU A 62 -3.614 5.559 -10.188 1.00 0.00 N ATOM 929 CA LEU A 62 -3.734 5.797 -8.754 1.00 0.00 C ATOM 930 C LEU A 62 -3.909 7.283 -8.461 1.00 0.00 C ATOM 931 O LEU A 62 -3.062 8.101 -8.820 1.00 0.00 O ATOM 932 CB LEU A 62 -2.500 5.264 -8.024 1.00 0.00 C ATOM 933 CG LEU A 62 -2.389 3.742 -7.915 1.00 0.00 C ATOM 934 CD1 LEU A 62 -1.138 3.352 -7.144 1.00 0.00 C ATOM 935 CD2 LEU A 62 -3.630 3.164 -7.251 1.00 0.00 C ATOM 0 H LEU A 62 -2.779 5.040 -10.461 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.618 5.269 -8.396 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.612 5.637 -8.534 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.489 5.682 -7.017 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.314 3.329 -8.921 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.076 2.266 -7.077 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.258 3.734 -7.661 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.182 3.776 -6.141 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.534 2.080 -7.182 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.736 3.584 -6.251 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.510 3.413 -7.844 1.00 0.00 H new ATOM 947 N ARG A 63 -5.013 7.625 -7.804 1.00 0.00 N ATOM 948 CA ARG A 63 -5.299 9.013 -7.462 1.00 0.00 C ATOM 949 C ARG A 63 -4.495 9.449 -6.240 1.00 0.00 C ATOM 950 O ARG A 63 -3.964 10.559 -6.197 1.00 0.00 O ATOM 951 CB ARG A 63 -6.794 9.197 -7.194 1.00 0.00 C ATOM 952 CG ARG A 63 -7.603 9.507 -8.443 1.00 0.00 C ATOM 953 CD ARG A 63 -9.095 9.525 -8.150 1.00 0.00 C ATOM 954 NE ARG A 63 -9.432 10.464 -7.083 1.00 0.00 N ATOM 955 CZ ARG A 63 -10.635 11.009 -6.938 1.00 0.00 C ATOM 956 NH1 ARG A 63 -11.609 10.711 -7.786 1.00 0.00 N ATOM 957 NH2 ARG A 63 -10.865 11.855 -5.941 1.00 0.00 N ATOM 0 H ARG A 63 -5.723 6.960 -7.498 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.009 9.636 -8.308 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.186 8.290 -6.733 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.929 10.004 -6.474 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.298 10.473 -8.845 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.391 8.762 -9.210 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.639 9.795 -9.055 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -9.421 8.524 -7.868 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.705 10.715 -6.413 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.436 10.061 -8.553 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.531 11.131 -7.671 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.118 12.087 -5.286 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.789 12.273 -5.830 1.00 0.00 H new ATOM 971 N ARG A 64 -4.411 8.567 -5.249 1.00 0.00 N ATOM 972 CA ARG A 64 -3.673 8.861 -4.026 1.00 0.00 C ATOM 973 C ARG A 64 -3.490 7.601 -3.186 1.00 0.00 C ATOM 974 O ARG A 64 -4.264 6.650 -3.296 1.00 0.00 O ATOM 975 CB ARG A 64 -4.403 9.930 -3.210 1.00 0.00 C ATOM 976 CG ARG A 64 -5.830 9.551 -2.849 1.00 0.00 C ATOM 977 CD ARG A 64 -6.567 10.713 -2.201 1.00 0.00 C ATOM 978 NE ARG A 64 -7.740 10.268 -1.454 1.00 0.00 N ATOM 979 CZ ARG A 64 -8.365 11.018 -0.553 1.00 0.00 C ATOM 980 NH1 ARG A 64 -7.932 12.243 -0.289 1.00 0.00 N ATOM 981 NH2 ARG A 64 -9.426 10.543 0.087 1.00 0.00 N ATOM 0 H ARG A 64 -4.844 7.644 -5.269 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.689 9.236 -4.306 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -3.844 10.121 -2.294 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.415 10.862 -3.776 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.362 9.236 -3.747 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.821 8.700 -2.169 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -5.890 11.243 -1.531 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.874 11.422 -2.970 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.099 9.330 -1.634 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.117 12.612 -0.778 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.414 12.816 0.403 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.763 9.601 -0.113 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.905 11.120 0.779 1.00 0.00 H new ATOM 995 N TYR A 65 -2.460 7.600 -2.347 1.00 0.00 N ATOM 996 CA TYR A 65 -2.172 6.456 -1.490 1.00 0.00 C ATOM 997 C TYR A 65 -1.683 6.912 -0.119 1.00 0.00 C ATOM 998 O TYR A 65 -1.373 8.085 0.084 1.00 0.00 O ATOM 999 CB TYR A 65 -1.125 5.553 -2.144 1.00 0.00 C ATOM 1000 CG TYR A 65 -0.013 6.314 -2.830 1.00 0.00 C ATOM 1001 CD1 TYR A 65 -0.161 6.772 -4.134 1.00 0.00 C ATOM 1002 CD2 TYR A 65 1.185 6.574 -2.177 1.00 0.00 C ATOM 1003 CE1 TYR A 65 0.852 7.467 -4.766 1.00 0.00 C ATOM 1004 CE2 TYR A 65 2.202 7.270 -2.800 1.00 0.00 C ATOM 1005 CZ TYR A 65 2.031 7.714 -4.095 1.00 0.00 C ATOM 1006 OH TYR A 65 3.043 8.406 -4.720 1.00 0.00 O ATOM 0 H TYR A 65 -1.810 8.379 -2.242 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.095 5.892 -1.357 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.693 4.902 -1.384 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.617 4.909 -2.873 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.084 6.581 -4.662 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.324 6.226 -1.164 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.721 7.815 -5.780 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.126 7.466 -2.276 1.00 0.00 H new ATOM 0 HH TYR A 65 3.364 9.120 -4.130 1.00 0.00 H new ATOM 1016 N GLY A 66 -1.616 5.973 0.821 1.00 0.00 N ATOM 1017 CA GLY A 66 -1.164 6.296 2.161 1.00 0.00 C ATOM 1018 C GLY A 66 -0.556 5.102 2.871 1.00 0.00 C ATOM 1019 O GLY A 66 -0.524 3.998 2.327 1.00 0.00 O ATOM 0 H GLY A 66 -1.867 4.995 0.678 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.428 7.098 2.109 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.005 6.672 2.744 1.00 0.00 H new ATOM 1023 N TYR A 67 -0.070 5.324 4.087 1.00 0.00 N ATOM 1024 CA TYR A 67 0.544 4.258 4.871 1.00 0.00 C ATOM 1025 C TYR A 67 0.675 4.665 6.335 1.00 0.00 C ATOM 1026 O TYR A 67 1.348 5.643 6.662 1.00 0.00 O ATOM 1027 CB TYR A 67 1.920 3.907 4.303 1.00 0.00 C ATOM 1028 CG TYR A 67 3.030 4.801 4.809 1.00 0.00 C ATOM 1029 CD1 TYR A 67 3.036 6.161 4.527 1.00 0.00 C ATOM 1030 CD2 TYR A 67 4.073 4.284 5.567 1.00 0.00 C ATOM 1031 CE1 TYR A 67 4.048 6.982 4.987 1.00 0.00 C ATOM 1032 CE2 TYR A 67 5.089 5.097 6.032 1.00 0.00 C ATOM 1033 CZ TYR A 67 5.072 6.445 5.739 1.00 0.00 C ATOM 1034 OH TYR A 67 6.083 7.258 6.199 1.00 0.00 O ATOM 0 H TYR A 67 -0.089 6.232 4.551 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.101 3.381 4.813 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.155 2.873 4.555 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.882 3.970 3.215 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.236 6.584 3.938 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.090 3.229 5.797 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.037 8.038 4.759 1.00 0.00 H new ATOM 0 HE2 TYR A 67 5.892 4.679 6.621 1.00 0.00 H new ATOM 0 HH TYR A 67 6.724 6.724 6.713 1.00 0.00 H new ATOM 1044 N ASP A 68 0.027 3.907 7.213 1.00 0.00 N ATOM 1045 CA ASP A 68 0.071 4.186 8.644 1.00 0.00 C ATOM 1046 C ASP A 68 1.236 3.456 9.304 1.00 0.00 C ATOM 1047 O ASP A 68 1.982 2.733 8.644 1.00 0.00 O ATOM 1048 CB ASP A 68 -1.246 3.776 9.306 1.00 0.00 C ATOM 1049 CG ASP A 68 -1.467 4.472 10.634 1.00 0.00 C ATOM 1050 OD1 ASP A 68 -1.862 5.656 10.624 1.00 0.00 O ATOM 1051 OD2 ASP A 68 -1.245 3.832 11.684 1.00 0.00 O ATOM 0 H ASP A 68 -0.535 3.095 6.959 1.00 0.00 H new ATOM 0 HA ASP A 68 0.216 5.258 8.776 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.074 4.007 8.636 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.252 2.697 9.459 1.00 0.00 H new ATOM 1056 N SER A 69 1.387 3.652 10.610 1.00 0.00 N ATOM 1057 CA SER A 69 2.464 3.017 11.359 1.00 0.00 C ATOM 1058 C SER A 69 2.705 1.594 10.863 1.00 0.00 C ATOM 1059 O SER A 69 3.772 1.281 10.337 1.00 0.00 O ATOM 1060 CB SER A 69 2.134 2.999 12.853 1.00 0.00 C ATOM 1061 OG SER A 69 3.292 2.738 13.628 1.00 0.00 O ATOM 0 H SER A 69 0.776 4.246 11.171 1.00 0.00 H new ATOM 0 HA SER A 69 3.373 3.597 11.202 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.705 3.957 13.146 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.380 2.238 13.053 1.00 0.00 H new ATOM 0 HG SER A 69 3.055 2.733 14.579 1.00 0.00 H new ATOM 1067 N ASN A 70 1.704 0.737 11.035 1.00 0.00 N ATOM 1068 CA ASN A 70 1.806 -0.653 10.606 1.00 0.00 C ATOM 1069 C ASN A 70 0.656 -1.020 9.672 1.00 0.00 C ATOM 1070 O ASN A 70 0.067 -2.095 9.787 1.00 0.00 O ATOM 1071 CB ASN A 70 1.808 -1.585 11.820 1.00 0.00 C ATOM 1072 CG ASN A 70 0.677 -1.281 12.783 1.00 0.00 C ATOM 1073 OD1 ASN A 70 -0.367 -0.763 12.389 1.00 0.00 O ATOM 1074 ND2 ASN A 70 0.881 -1.604 14.055 1.00 0.00 N ATOM 0 H ASN A 70 0.813 0.981 11.468 1.00 0.00 H new ATOM 0 HA ASN A 70 2.744 -0.771 10.064 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.726 -2.618 11.482 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.761 -1.495 12.342 1.00 0.00 H new ATOM 0 HD21 ASN A 70 0.156 -1.424 14.749 1.00 0.00 H new ATOM 0 HD22 ASN A 70 1.763 -2.032 14.337 1.00 0.00 H new ATOM 1081 N LEU A 71 0.343 -0.119 8.747 1.00 0.00 N ATOM 1082 CA LEU A 71 -0.736 -0.347 7.792 1.00 0.00 C ATOM 1083 C LEU A 71 -0.483 0.412 6.493 1.00 0.00 C ATOM 1084 O LEU A 71 0.162 1.461 6.491 1.00 0.00 O ATOM 1085 CB LEU A 71 -2.076 0.081 8.394 1.00 0.00 C ATOM 1086 CG LEU A 71 -3.319 -0.248 7.566 1.00 0.00 C ATOM 1087 CD1 LEU A 71 -3.775 -1.674 7.832 1.00 0.00 C ATOM 1088 CD2 LEU A 71 -4.437 0.738 7.870 1.00 0.00 C ATOM 0 H LEU A 71 0.821 0.776 8.638 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.770 -1.413 7.567 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.180 -0.390 9.371 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.049 1.158 8.561 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.063 -0.162 6.510 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.660 -1.890 7.234 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.978 -2.367 7.563 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.014 -1.788 8.889 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.314 0.489 7.272 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.692 0.684 8.928 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.107 1.748 7.627 1.00 0.00 H new ATOM 1100 N PHE A 72 -0.998 -0.123 5.391 1.00 0.00 N ATOM 1101 CA PHE A 72 -0.829 0.505 4.086 1.00 0.00 C ATOM 1102 C PHE A 72 -2.089 0.348 3.240 1.00 0.00 C ATOM 1103 O PHE A 72 -2.722 -0.708 3.240 1.00 0.00 O ATOM 1104 CB PHE A 72 0.370 -0.104 3.355 1.00 0.00 C ATOM 1105 CG PHE A 72 0.297 0.040 1.861 1.00 0.00 C ATOM 1106 CD1 PHE A 72 0.820 1.160 1.234 1.00 0.00 C ATOM 1107 CD2 PHE A 72 -0.293 -0.944 1.085 1.00 0.00 C ATOM 1108 CE1 PHE A 72 0.754 1.295 -0.140 1.00 0.00 C ATOM 1109 CE2 PHE A 72 -0.362 -0.814 -0.290 1.00 0.00 C ATOM 1110 CZ PHE A 72 0.163 0.307 -0.903 1.00 0.00 C ATOM 0 H PHE A 72 -1.536 -0.990 5.376 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.648 1.568 4.242 1.00 0.00 H new ATOM 0 HB2 PHE A 72 1.283 0.370 3.714 1.00 0.00 H new ATOM 0 HB3 PHE A 72 0.440 -1.162 3.607 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.284 1.935 1.825 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.704 -1.823 1.559 1.00 0.00 H new ATOM 0 HE1 PHE A 72 1.164 2.173 -0.617 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.826 -1.588 -0.884 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.111 0.411 -1.977 1.00 0.00 H new ATOM 1120 N SER A 73 -2.446 1.406 2.519 1.00 0.00 N ATOM 1121 CA SER A 73 -3.633 1.388 1.672 1.00 0.00 C ATOM 1122 C SER A 73 -3.459 2.317 0.474 1.00 0.00 C ATOM 1123 O SER A 73 -2.587 3.186 0.470 1.00 0.00 O ATOM 1124 CB SER A 73 -4.867 1.800 2.477 1.00 0.00 C ATOM 1125 OG SER A 73 -6.020 1.844 1.655 1.00 0.00 O ATOM 0 H SER A 73 -1.931 2.286 2.504 1.00 0.00 H new ATOM 0 HA SER A 73 -3.772 0.371 1.304 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.025 1.095 3.293 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.701 2.778 2.929 1.00 0.00 H new ATOM 0 HG SER A 73 -6.017 1.076 1.046 1.00 0.00 H new ATOM 1131 N PHE A 74 -4.296 2.127 -0.541 1.00 0.00 N ATOM 1132 CA PHE A 74 -4.235 2.947 -1.745 1.00 0.00 C ATOM 1133 C PHE A 74 -5.589 2.981 -2.449 1.00 0.00 C ATOM 1134 O PHE A 74 -6.466 2.164 -2.168 1.00 0.00 O ATOM 1135 CB PHE A 74 -3.165 2.411 -2.699 1.00 0.00 C ATOM 1136 CG PHE A 74 -3.434 1.013 -3.177 1.00 0.00 C ATOM 1137 CD1 PHE A 74 -3.228 -0.071 -2.339 1.00 0.00 C ATOM 1138 CD2 PHE A 74 -3.893 0.782 -4.464 1.00 0.00 C ATOM 1139 CE1 PHE A 74 -3.475 -1.360 -2.776 1.00 0.00 C ATOM 1140 CE2 PHE A 74 -4.142 -0.503 -4.906 1.00 0.00 C ATOM 1141 CZ PHE A 74 -3.932 -1.576 -4.061 1.00 0.00 C ATOM 0 H PHE A 74 -5.024 1.413 -0.553 1.00 0.00 H new ATOM 0 HA PHE A 74 -3.973 3.963 -1.450 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.094 3.074 -3.561 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.198 2.435 -2.197 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.870 0.092 -1.333 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.058 1.616 -5.129 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.311 -2.196 -2.113 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -4.501 -0.669 -5.911 1.00 0.00 H new ATOM 0 HZ PHE A 74 -4.125 -2.581 -4.405 1.00 0.00 H new ATOM 1151 N GLU A 75 -5.750 3.932 -3.363 1.00 0.00 N ATOM 1152 CA GLU A 75 -6.997 4.073 -4.106 1.00 0.00 C ATOM 1153 C GLU A 75 -6.759 3.919 -5.605 1.00 0.00 C ATOM 1154 O GLU A 75 -5.813 4.484 -6.155 1.00 0.00 O ATOM 1155 CB GLU A 75 -7.637 5.433 -3.817 1.00 0.00 C ATOM 1156 CG GLU A 75 -9.116 5.494 -4.161 1.00 0.00 C ATOM 1157 CD GLU A 75 -9.393 5.148 -5.611 1.00 0.00 C ATOM 1158 OE1 GLU A 75 -8.661 5.647 -6.491 1.00 0.00 O ATOM 1159 OE2 GLU A 75 -10.342 4.377 -5.865 1.00 0.00 O ATOM 0 H GLU A 75 -5.034 4.616 -3.607 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.675 3.283 -3.781 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.508 5.669 -2.761 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.109 6.201 -4.382 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.664 4.806 -3.516 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.493 6.495 -3.952 1.00 0.00 H new ATOM 1166 N SER A 76 -7.622 3.149 -6.260 1.00 0.00 N ATOM 1167 CA SER A 76 -7.503 2.917 -7.694 1.00 0.00 C ATOM 1168 C SER A 76 -8.603 3.649 -8.456 1.00 0.00 C ATOM 1169 O SER A 76 -9.790 3.455 -8.196 1.00 0.00 O ATOM 1170 CB SER A 76 -7.569 1.418 -7.996 1.00 0.00 C ATOM 1171 OG SER A 76 -6.971 1.123 -9.247 1.00 0.00 O ATOM 0 H SER A 76 -8.411 2.675 -5.820 1.00 0.00 H new ATOM 0 HA SER A 76 -6.538 3.305 -8.021 1.00 0.00 H new ATOM 0 HB2 SER A 76 -7.062 0.862 -7.207 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.608 1.090 -8.000 1.00 0.00 H new ATOM 0 HG SER A 76 -6.675 0.189 -9.256 1.00 0.00 H new ATOM 1177 N GLY A 77 -8.199 4.493 -9.401 1.00 0.00 N ATOM 1178 CA GLY A 77 -9.161 5.243 -10.187 1.00 0.00 C ATOM 1179 C GLY A 77 -10.229 4.356 -10.796 1.00 0.00 C ATOM 1180 O GLY A 77 -9.936 3.264 -11.282 1.00 0.00 O ATOM 0 H GLY A 77 -7.222 4.671 -9.636 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.634 5.995 -9.556 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.639 5.776 -10.982 1.00 0.00 H new ATOM 1184 N ARG A 78 -11.473 4.825 -10.767 1.00 0.00 N ATOM 1185 CA ARG A 78 -12.589 4.066 -11.318 1.00 0.00 C ATOM 1186 C ARG A 78 -12.156 3.283 -12.554 1.00 0.00 C ATOM 1187 O ARG A 78 -12.619 2.166 -12.786 1.00 0.00 O ATOM 1188 CB ARG A 78 -13.745 5.003 -11.673 1.00 0.00 C ATOM 1189 CG ARG A 78 -13.342 6.148 -12.588 1.00 0.00 C ATOM 1190 CD ARG A 78 -14.199 7.380 -12.348 1.00 0.00 C ATOM 1191 NE ARG A 78 -13.916 8.440 -13.312 1.00 0.00 N ATOM 1192 CZ ARG A 78 -14.161 9.726 -13.084 1.00 0.00 C ATOM 1193 NH1 ARG A 78 -14.690 10.109 -11.931 1.00 0.00 N ATOM 1194 NH2 ARG A 78 -13.875 10.631 -14.012 1.00 0.00 N ATOM 0 H ARG A 78 -11.733 5.727 -10.368 1.00 0.00 H new ATOM 0 HA ARG A 78 -12.924 3.358 -10.560 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -14.535 4.426 -12.154 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -14.164 5.413 -10.754 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.293 6.395 -12.423 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.436 5.835 -13.628 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -15.252 7.106 -12.409 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -14.024 7.752 -11.338 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.508 8.179 -14.210 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.910 9.416 -11.216 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.877 11.097 -11.759 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.467 10.339 -14.900 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.063 11.618 -13.837 1.00 0.00 H new ATOM 1208 N ARG A 79 -11.266 3.876 -13.343 1.00 0.00 N ATOM 1209 CA ARG A 79 -10.773 3.235 -14.556 1.00 0.00 C ATOM 1210 C ARG A 79 -9.861 2.060 -14.217 1.00 0.00 C ATOM 1211 O ARG A 79 -8.655 2.105 -14.466 1.00 0.00 O ATOM 1212 CB ARG A 79 -10.019 4.246 -15.422 1.00 0.00 C ATOM 1213 CG ARG A 79 -10.910 5.331 -16.006 1.00 0.00 C ATOM 1214 CD ARG A 79 -10.972 6.549 -15.099 1.00 0.00 C ATOM 1215 NE ARG A 79 -11.440 7.737 -15.808 1.00 0.00 N ATOM 1216 CZ ARG A 79 -10.647 8.523 -16.528 1.00 0.00 C ATOM 1217 NH1 ARG A 79 -9.354 8.249 -16.633 1.00 0.00 N ATOM 1218 NH2 ARG A 79 -11.148 9.586 -17.145 1.00 0.00 N ATOM 0 H ARG A 79 -10.872 4.799 -13.164 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.631 2.858 -15.113 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.237 4.713 -14.823 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -9.524 3.717 -16.236 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -10.533 5.624 -16.986 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -11.915 4.936 -16.156 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.636 6.343 -14.260 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -9.983 6.741 -14.683 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.430 7.976 -15.747 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -8.966 7.433 -16.160 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -8.748 8.854 -17.187 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -12.142 9.800 -17.066 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -10.539 10.189 -17.698 1.00 0.00 H new ATOM 1232 N CYS A 80 -10.443 1.011 -13.647 1.00 0.00 N ATOM 1233 CA CYS A 80 -9.683 -0.176 -13.272 1.00 0.00 C ATOM 1234 C CYS A 80 -10.554 -1.426 -13.347 1.00 0.00 C ATOM 1235 O CYS A 80 -11.770 -1.337 -13.514 1.00 0.00 O ATOM 1236 CB CYS A 80 -9.115 -0.019 -11.861 1.00 0.00 C ATOM 1237 SG CYS A 80 -10.327 0.528 -10.635 1.00 0.00 S ATOM 0 H CYS A 80 -11.439 0.958 -13.434 1.00 0.00 H new ATOM 0 HA CYS A 80 -8.859 -0.287 -13.977 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -8.696 -0.973 -11.541 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -8.294 0.697 -11.889 1.00 0.00 H new ATOM 0 HG CYS A 80 -10.489 1.814 -10.729 1.00 0.00 H new ATOM 1243 N GLN A 81 -9.922 -2.589 -13.225 1.00 0.00 N ATOM 1244 CA GLN A 81 -10.640 -3.857 -13.281 1.00 0.00 C ATOM 1245 C GLN A 81 -11.549 -4.022 -12.068 1.00 0.00 C ATOM 1246 O GLN A 81 -12.766 -4.155 -12.204 1.00 0.00 O ATOM 1247 CB GLN A 81 -9.653 -5.023 -13.356 1.00 0.00 C ATOM 1248 CG GLN A 81 -10.290 -6.378 -13.092 1.00 0.00 C ATOM 1249 CD GLN A 81 -9.506 -7.521 -13.704 1.00 0.00 C ATOM 1250 OE1 GLN A 81 -9.730 -7.898 -14.854 1.00 0.00 O ATOM 1251 NE2 GLN A 81 -8.578 -8.081 -12.936 1.00 0.00 N ATOM 0 H GLN A 81 -8.915 -2.679 -13.087 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.259 -3.856 -14.178 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.191 -5.034 -14.343 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.854 -4.859 -12.632 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.371 -6.533 -12.016 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -11.304 -6.383 -13.492 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -8.425 -7.737 -11.988 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -8.018 -8.855 -13.294 1.00 0.00 H new ATOM 1260 N THR A 82 -10.951 -4.014 -10.881 1.00 0.00 N ATOM 1261 CA THR A 82 -11.706 -4.165 -9.643 1.00 0.00 C ATOM 1262 C THR A 82 -12.812 -3.120 -9.543 1.00 0.00 C ATOM 1263 O THR A 82 -13.959 -3.443 -9.236 1.00 0.00 O ATOM 1264 CB THR A 82 -10.792 -4.048 -8.409 1.00 0.00 C ATOM 1265 OG1 THR A 82 -9.992 -2.864 -8.503 1.00 0.00 O ATOM 1266 CG2 THR A 82 -9.890 -5.267 -8.287 1.00 0.00 C ATOM 0 H THR A 82 -9.945 -3.904 -10.751 1.00 0.00 H new ATOM 0 HA THR A 82 -12.150 -5.160 -9.663 1.00 0.00 H new ATOM 0 HB THR A 82 -11.422 -3.991 -7.521 1.00 0.00 H new ATOM 0 HG1 THR A 82 -9.699 -2.595 -7.607 1.00 0.00 H new ATOM 0 HG21 THR A 82 -9.253 -5.162 -7.408 1.00 0.00 H new ATOM 0 HG22 THR A 82 -10.502 -6.164 -8.187 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.268 -5.350 -9.178 1.00 0.00 H new ATOM 1274 N GLY A 83 -12.460 -1.865 -9.806 1.00 0.00 N ATOM 1275 CA GLY A 83 -13.434 -0.792 -9.740 1.00 0.00 C ATOM 1276 C GLY A 83 -13.117 0.214 -8.652 1.00 0.00 C ATOM 1277 O GLY A 83 -12.483 -0.123 -7.652 1.00 0.00 O ATOM 0 H GLY A 83 -11.517 -1.573 -10.064 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.473 -0.281 -10.702 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.423 -1.214 -9.563 1.00 0.00 H new ATOM 1281 N GLN A 84 -13.556 1.453 -8.847 1.00 0.00 N ATOM 1282 CA GLN A 84 -13.312 2.512 -7.875 1.00 0.00 C ATOM 1283 C GLN A 84 -13.465 1.988 -6.450 1.00 0.00 C ATOM 1284 O GLN A 84 -14.457 1.341 -6.120 1.00 0.00 O ATOM 1285 CB GLN A 84 -14.273 3.679 -8.108 1.00 0.00 C ATOM 1286 CG GLN A 84 -14.175 4.768 -7.052 1.00 0.00 C ATOM 1287 CD GLN A 84 -15.385 5.681 -7.041 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -15.724 6.295 -8.053 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -16.045 5.775 -5.892 1.00 0.00 N ATOM 0 H GLN A 84 -14.082 1.748 -9.669 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.288 2.863 -8.006 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -14.072 4.114 -9.087 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.294 3.299 -8.132 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -14.063 4.308 -6.070 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.278 5.362 -7.230 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -15.729 5.248 -5.078 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -16.868 6.374 -5.824 1.00 0.00 H new ATOM 1298 N GLY A 85 -12.475 2.274 -5.611 1.00 0.00 N ATOM 1299 CA GLY A 85 -12.518 1.824 -4.232 1.00 0.00 C ATOM 1300 C GLY A 85 -11.161 1.881 -3.560 1.00 0.00 C ATOM 1301 O GLY A 85 -10.135 2.014 -4.228 1.00 0.00 O ATOM 0 H GLY A 85 -11.644 2.809 -5.861 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.222 2.441 -3.674 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.894 0.801 -4.199 1.00 0.00 H new ATOM 1305 N ILE A 86 -11.153 1.781 -2.235 1.00 0.00 N ATOM 1306 CA ILE A 86 -9.912 1.822 -1.473 1.00 0.00 C ATOM 1307 C ILE A 86 -9.536 0.437 -0.957 1.00 0.00 C ATOM 1308 O ILE A 86 -10.350 -0.247 -0.336 1.00 0.00 O ATOM 1309 CB ILE A 86 -10.015 2.791 -0.280 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -10.154 4.232 -0.776 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -8.798 2.651 0.623 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -10.898 5.132 0.186 1.00 0.00 C ATOM 0 H ILE A 86 -11.993 1.671 -1.667 1.00 0.00 H new ATOM 0 HA ILE A 86 -9.137 2.176 -2.153 1.00 0.00 H new ATOM 0 HB ILE A 86 -10.903 2.538 0.299 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -9.161 4.644 -0.953 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.673 4.230 -1.734 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.886 3.342 1.461 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.740 1.630 0.999 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -7.896 2.881 0.056 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -10.959 6.138 -0.230 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.904 4.743 0.344 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -10.368 5.165 1.138 1.00 0.00 H new ATOM 1324 N PHE A 87 -8.299 0.030 -1.218 1.00 0.00 N ATOM 1325 CA PHE A 87 -7.814 -1.274 -0.780 1.00 0.00 C ATOM 1326 C PHE A 87 -6.727 -1.122 0.280 1.00 0.00 C ATOM 1327 O PHE A 87 -5.714 -0.462 0.055 1.00 0.00 O ATOM 1328 CB PHE A 87 -7.274 -2.068 -1.971 1.00 0.00 C ATOM 1329 CG PHE A 87 -8.235 -2.151 -3.123 1.00 0.00 C ATOM 1330 CD1 PHE A 87 -9.403 -2.889 -3.015 1.00 0.00 C ATOM 1331 CD2 PHE A 87 -7.971 -1.491 -4.312 1.00 0.00 C ATOM 1332 CE1 PHE A 87 -10.288 -2.968 -4.073 1.00 0.00 C ATOM 1333 CE2 PHE A 87 -8.853 -1.565 -5.373 1.00 0.00 C ATOM 1334 CZ PHE A 87 -10.014 -2.304 -5.253 1.00 0.00 C ATOM 0 H PHE A 87 -7.613 0.584 -1.731 1.00 0.00 H new ATOM 0 HA PHE A 87 -8.651 -1.816 -0.341 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.347 -1.608 -2.314 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -7.026 -3.077 -1.642 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -9.624 -3.408 -2.094 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.065 -0.912 -4.411 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -11.194 -3.549 -3.978 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -8.635 -1.046 -6.295 1.00 0.00 H new ATOM 0 HZ PHE A 87 -10.706 -2.363 -6.080 1.00 0.00 H new ATOM 1344 N ALA A 88 -6.947 -1.739 1.436 1.00 0.00 N ATOM 1345 CA ALA A 88 -5.987 -1.675 2.531 1.00 0.00 C ATOM 1346 C ALA A 88 -5.568 -3.071 2.978 1.00 0.00 C ATOM 1347 O ALA A 88 -6.398 -3.975 3.083 1.00 0.00 O ATOM 1348 CB ALA A 88 -6.572 -0.897 3.701 1.00 0.00 C ATOM 0 H ALA A 88 -7.782 -2.289 1.639 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.098 -1.156 2.172 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.844 -0.857 4.512 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.813 0.116 3.380 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.478 -1.392 4.051 1.00 0.00 H new ATOM 1354 N PHE A 89 -4.277 -3.242 3.238 1.00 0.00 N ATOM 1355 CA PHE A 89 -3.748 -4.530 3.672 1.00 0.00 C ATOM 1356 C PHE A 89 -2.899 -4.374 4.930 1.00 0.00 C ATOM 1357 O PHE A 89 -2.079 -3.461 5.030 1.00 0.00 O ATOM 1358 CB PHE A 89 -2.915 -5.165 2.556 1.00 0.00 C ATOM 1359 CG PHE A 89 -3.637 -5.248 1.242 1.00 0.00 C ATOM 1360 CD1 PHE A 89 -3.936 -4.100 0.527 1.00 0.00 C ATOM 1361 CD2 PHE A 89 -4.018 -6.475 0.722 1.00 0.00 C ATOM 1362 CE1 PHE A 89 -4.600 -4.173 -0.683 1.00 0.00 C ATOM 1363 CE2 PHE A 89 -4.683 -6.554 -0.487 1.00 0.00 C ATOM 1364 CZ PHE A 89 -4.975 -5.402 -1.190 1.00 0.00 C ATOM 0 H PHE A 89 -3.577 -2.505 3.156 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.591 -5.181 3.903 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.000 -4.587 2.423 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.617 -6.168 2.862 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.647 -3.136 0.920 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.793 -7.379 1.268 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.825 -3.270 -1.231 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.974 -7.516 -0.882 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.496 -5.462 -2.134 1.00 0.00 H new ATOM 1374 N LYS A 90 -3.102 -5.271 5.889 1.00 0.00 N ATOM 1375 CA LYS A 90 -2.356 -5.235 7.141 1.00 0.00 C ATOM 1376 C LYS A 90 -0.983 -5.880 6.975 1.00 0.00 C ATOM 1377 O LYS A 90 -0.856 -7.105 6.989 1.00 0.00 O ATOM 1378 CB LYS A 90 -3.137 -5.952 8.244 1.00 0.00 C ATOM 1379 CG LYS A 90 -2.535 -5.776 9.628 1.00 0.00 C ATOM 1380 CD LYS A 90 -3.432 -6.364 10.705 1.00 0.00 C ATOM 1381 CE LYS A 90 -3.166 -5.726 12.060 1.00 0.00 C ATOM 1382 NZ LYS A 90 -3.759 -6.520 13.172 1.00 0.00 N ATOM 0 H LYS A 90 -3.778 -6.032 5.823 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.216 -4.191 7.422 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -4.162 -5.580 8.253 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.186 -7.016 8.011 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.558 -6.257 9.665 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.376 -4.716 9.825 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.477 -6.217 10.431 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.268 -7.440 10.769 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.091 -5.633 12.213 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.578 -4.717 12.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.556 -6.053 14.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.788 -6.587 13.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.347 -7.475 13.175 1.00 0.00 H new ATOM 1396 N CYS A 91 0.041 -5.048 6.820 1.00 0.00 N ATOM 1397 CA CYS A 91 1.405 -5.537 6.653 1.00 0.00 C ATOM 1398 C CYS A 91 2.375 -4.757 7.534 1.00 0.00 C ATOM 1399 O CYS A 91 2.082 -3.639 7.957 1.00 0.00 O ATOM 1400 CB CYS A 91 1.830 -5.432 5.187 1.00 0.00 C ATOM 1401 SG CYS A 91 1.623 -3.783 4.475 1.00 0.00 S ATOM 0 H CYS A 91 -0.047 -4.032 6.806 1.00 0.00 H new ATOM 0 HA CYS A 91 1.429 -6.583 6.957 1.00 0.00 H new ATOM 0 HB2 CYS A 91 2.877 -5.724 5.101 1.00 0.00 H new ATOM 0 HB3 CYS A 91 1.251 -6.145 4.600 1.00 0.00 H new ATOM 0 HG CYS A 91 1.807 -3.839 3.189 1.00 0.00 H new ATOM 1407 N SER A 92 3.530 -5.355 7.807 1.00 0.00 N ATOM 1408 CA SER A 92 4.541 -4.718 8.643 1.00 0.00 C ATOM 1409 C SER A 92 5.479 -3.858 7.801 1.00 0.00 C ATOM 1410 O SER A 92 5.860 -2.759 8.203 1.00 0.00 O ATOM 1411 CB SER A 92 5.345 -5.775 9.403 1.00 0.00 C ATOM 1412 OG SER A 92 6.242 -5.172 10.320 1.00 0.00 O ATOM 0 H SER A 92 3.789 -6.279 7.462 1.00 0.00 H new ATOM 0 HA SER A 92 4.031 -4.075 9.360 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.665 -6.439 9.937 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.902 -6.391 8.696 1.00 0.00 H new ATOM 0 HG SER A 92 6.743 -5.869 10.794 1.00 0.00 H new ATOM 1418 N ARG A 93 5.847 -4.368 6.630 1.00 0.00 N ATOM 1419 CA ARG A 93 6.741 -3.648 5.731 1.00 0.00 C ATOM 1420 C ARG A 93 5.955 -2.713 4.817 1.00 0.00 C ATOM 1421 O ARG A 93 6.268 -2.577 3.634 1.00 0.00 O ATOM 1422 CB ARG A 93 7.556 -4.634 4.891 1.00 0.00 C ATOM 1423 CG ARG A 93 8.619 -5.377 5.684 1.00 0.00 C ATOM 1424 CD ARG A 93 9.641 -6.031 4.768 1.00 0.00 C ATOM 1425 NE ARG A 93 10.618 -5.069 4.263 1.00 0.00 N ATOM 1426 CZ ARG A 93 11.708 -4.709 4.931 1.00 0.00 C ATOM 1427 NH1 ARG A 93 11.959 -5.227 6.125 1.00 0.00 N ATOM 1428 NH2 ARG A 93 12.549 -3.828 4.405 1.00 0.00 N ATOM 0 H ARG A 93 5.540 -5.276 6.282 1.00 0.00 H new ATOM 0 HA ARG A 93 7.421 -3.049 6.337 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.879 -5.359 4.439 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.035 -4.093 4.075 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.123 -4.684 6.357 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.146 -6.138 6.305 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.158 -6.823 5.309 1.00 0.00 H new ATOM 0 HD3 ARG A 93 9.128 -6.501 3.929 1.00 0.00 H new ATOM 0 HE ARG A 93 10.454 -4.651 3.347 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.314 -5.904 6.533 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.797 -4.949 6.636 1.00 0.00 H new ATOM 0 HH21 ARG A 93 12.359 -3.427 3.487 1.00 0.00 H new ATOM 0 HH22 ARG A 93 13.386 -3.552 4.919 1.00 0.00 H new ATOM 1442 N ALA A 94 4.934 -2.070 5.373 1.00 0.00 N ATOM 1443 CA ALA A 94 4.105 -1.146 4.609 1.00 0.00 C ATOM 1444 C ALA A 94 4.909 0.068 4.158 1.00 0.00 C ATOM 1445 O ALA A 94 4.943 0.394 2.972 1.00 0.00 O ATOM 1446 CB ALA A 94 2.903 -0.709 5.434 1.00 0.00 C ATOM 0 H ALA A 94 4.661 -2.172 6.350 1.00 0.00 H new ATOM 0 HA ALA A 94 3.751 -1.666 3.719 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.293 -0.019 4.851 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.308 -1.582 5.701 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.246 -0.212 6.341 1.00 0.00 H new ATOM 1452 N GLU A 95 5.553 0.734 5.111 1.00 0.00 N ATOM 1453 CA GLU A 95 6.355 1.914 4.810 1.00 0.00 C ATOM 1454 C GLU A 95 7.137 1.723 3.513 1.00 0.00 C ATOM 1455 O GLU A 95 6.975 2.486 2.562 1.00 0.00 O ATOM 1456 CB GLU A 95 7.319 2.210 5.961 1.00 0.00 C ATOM 1457 CG GLU A 95 8.339 3.289 5.638 1.00 0.00 C ATOM 1458 CD GLU A 95 9.590 2.732 4.986 1.00 0.00 C ATOM 1459 OE1 GLU A 95 10.083 1.682 5.447 1.00 0.00 O ATOM 1460 OE2 GLU A 95 10.075 3.348 4.013 1.00 0.00 O ATOM 0 H GLU A 95 5.535 0.477 6.098 1.00 0.00 H new ATOM 0 HA GLU A 95 5.679 2.760 4.686 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.745 2.515 6.836 1.00 0.00 H new ATOM 0 HB3 GLU A 95 7.845 1.293 6.229 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.885 4.026 4.975 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.613 3.811 6.555 1.00 0.00 H new ATOM 1467 N GLU A 96 7.986 0.700 3.486 1.00 0.00 N ATOM 1468 CA GLU A 96 8.794 0.411 2.307 1.00 0.00 C ATOM 1469 C GLU A 96 7.942 0.447 1.041 1.00 0.00 C ATOM 1470 O GLU A 96 8.292 1.109 0.064 1.00 0.00 O ATOM 1471 CB GLU A 96 9.465 -0.958 2.445 1.00 0.00 C ATOM 1472 CG GLU A 96 10.725 -0.935 3.293 1.00 0.00 C ATOM 1473 CD GLU A 96 11.968 -0.622 2.483 1.00 0.00 C ATOM 1474 OE1 GLU A 96 12.304 0.573 2.351 1.00 0.00 O ATOM 1475 OE2 GLU A 96 12.604 -1.572 1.980 1.00 0.00 O ATOM 0 H GLU A 96 8.132 0.059 4.266 1.00 0.00 H new ATOM 0 HA GLU A 96 9.564 1.179 2.228 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.755 -1.659 2.884 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.712 -1.334 1.452 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.614 -0.192 4.082 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.848 -1.902 3.781 1.00 0.00 H new ATOM 1482 N ILE A 97 6.824 -0.270 1.067 1.00 0.00 N ATOM 1483 CA ILE A 97 5.922 -0.320 -0.077 1.00 0.00 C ATOM 1484 C ILE A 97 5.514 1.082 -0.517 1.00 0.00 C ATOM 1485 O ILE A 97 5.620 1.431 -1.693 1.00 0.00 O ATOM 1486 CB ILE A 97 4.655 -1.135 0.240 1.00 0.00 C ATOM 1487 CG1 ILE A 97 5.028 -2.564 0.639 1.00 0.00 C ATOM 1488 CG2 ILE A 97 3.716 -1.142 -0.957 1.00 0.00 C ATOM 1489 CD1 ILE A 97 3.898 -3.321 1.303 1.00 0.00 C ATOM 0 H ILE A 97 6.521 -0.824 1.868 1.00 0.00 H new ATOM 0 HA ILE A 97 6.465 -0.809 -0.886 1.00 0.00 H new ATOM 0 HB ILE A 97 4.140 -0.666 1.078 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.347 -3.109 -0.249 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.881 -2.532 1.317 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.825 -1.722 -0.717 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.428 -0.119 -1.200 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.221 -1.590 -1.813 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.234 -4.326 1.558 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.594 -2.799 2.210 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.051 -3.384 0.619 1.00 0.00 H new ATOM 1501 N PHE A 98 5.049 1.883 0.436 1.00 0.00 N ATOM 1502 CA PHE A 98 4.626 3.249 0.147 1.00 0.00 C ATOM 1503 C PHE A 98 5.765 4.051 -0.475 1.00 0.00 C ATOM 1504 O PHE A 98 5.572 4.761 -1.461 1.00 0.00 O ATOM 1505 CB PHE A 98 4.142 3.936 1.425 1.00 0.00 C ATOM 1506 CG PHE A 98 3.924 5.414 1.266 1.00 0.00 C ATOM 1507 CD1 PHE A 98 4.977 6.302 1.412 1.00 0.00 C ATOM 1508 CD2 PHE A 98 2.667 5.914 0.969 1.00 0.00 C ATOM 1509 CE1 PHE A 98 4.779 7.662 1.267 1.00 0.00 C ATOM 1510 CE2 PHE A 98 2.463 7.273 0.822 1.00 0.00 C ATOM 1511 CZ PHE A 98 3.521 8.148 0.970 1.00 0.00 C ATOM 0 H PHE A 98 4.955 1.610 1.414 1.00 0.00 H new ATOM 0 HA PHE A 98 3.804 3.205 -0.567 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.210 3.472 1.747 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.872 3.768 2.217 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.964 5.927 1.642 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.836 5.234 0.851 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.608 8.344 1.386 1.00 0.00 H new ATOM 0 HE2 PHE A 98 1.478 7.650 0.592 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.365 9.210 0.854 1.00 0.00 H new ATOM 1521 N ASN A 99 6.953 3.933 0.110 1.00 0.00 N ATOM 1522 CA ASN A 99 8.123 4.648 -0.385 1.00 0.00 C ATOM 1523 C ASN A 99 8.484 4.190 -1.795 1.00 0.00 C ATOM 1524 O ASN A 99 8.810 5.004 -2.660 1.00 0.00 O ATOM 1525 CB ASN A 99 9.313 4.433 0.553 1.00 0.00 C ATOM 1526 CG ASN A 99 9.216 5.275 1.811 1.00 0.00 C ATOM 1527 OD1 ASN A 99 9.936 6.261 1.968 1.00 0.00 O ATOM 1528 ND2 ASN A 99 8.323 4.888 2.714 1.00 0.00 N ATOM 0 H ASN A 99 7.130 3.349 0.927 1.00 0.00 H new ATOM 0 HA ASN A 99 7.882 5.710 -0.417 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.370 3.380 0.827 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.236 4.676 0.026 1.00 0.00 H new ATOM 0 HD21 ASN A 99 8.213 5.415 3.580 1.00 0.00 H new ATOM 0 HD22 ASN A 99 7.747 4.064 2.541 1.00 0.00 H new ATOM 1535 N LEU A 100 8.424 2.882 -2.020 1.00 0.00 N ATOM 1536 CA LEU A 100 8.743 2.314 -3.325 1.00 0.00 C ATOM 1537 C LEU A 100 7.739 2.771 -4.378 1.00 0.00 C ATOM 1538 O LEU A 100 8.117 3.162 -5.484 1.00 0.00 O ATOM 1539 CB LEU A 100 8.759 0.786 -3.248 1.00 0.00 C ATOM 1540 CG LEU A 100 8.825 0.048 -4.586 1.00 0.00 C ATOM 1541 CD1 LEU A 100 10.099 0.410 -5.333 1.00 0.00 C ATOM 1542 CD2 LEU A 100 8.741 -1.456 -4.369 1.00 0.00 C ATOM 0 H LEU A 100 8.157 2.195 -1.315 1.00 0.00 H new ATOM 0 HA LEU A 100 9.732 2.667 -3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.614 0.481 -2.645 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.864 0.459 -2.719 1.00 0.00 H new ATOM 0 HG LEU A 100 7.973 0.356 -5.192 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.128 -0.125 -6.282 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.118 1.484 -5.520 1.00 0.00 H new ATOM 0 HD13 LEU A 100 10.965 0.131 -4.732 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.789 -1.966 -5.331 1.00 0.00 H new ATOM 0 HD22 LEU A 100 9.573 -1.781 -3.744 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.800 -1.700 -3.876 1.00 0.00 H new ATOM 1554 N LEU A 101 6.459 2.722 -4.028 1.00 0.00 N ATOM 1555 CA LEU A 101 5.399 3.133 -4.942 1.00 0.00 C ATOM 1556 C LEU A 101 5.654 4.541 -5.473 1.00 0.00 C ATOM 1557 O LEU A 101 5.738 4.752 -6.682 1.00 0.00 O ATOM 1558 CB LEU A 101 4.042 3.079 -4.239 1.00 0.00 C ATOM 1559 CG LEU A 101 2.814 3.244 -5.136 1.00 0.00 C ATOM 1560 CD1 LEU A 101 2.473 1.930 -5.821 1.00 0.00 C ATOM 1561 CD2 LEU A 101 1.628 3.751 -4.328 1.00 0.00 C ATOM 0 H LEU A 101 6.129 2.402 -3.117 1.00 0.00 H new ATOM 0 HA LEU A 101 5.392 2.442 -5.785 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.962 2.124 -3.720 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.018 3.859 -3.478 1.00 0.00 H new ATOM 0 HG LEU A 101 3.045 3.981 -5.905 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.597 2.067 -6.455 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.316 1.609 -6.432 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.261 1.171 -5.068 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.763 3.863 -4.982 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.395 3.038 -3.537 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.875 4.716 -3.885 1.00 0.00 H new ATOM 1573 N GLN A 102 5.777 5.498 -4.559 1.00 0.00 N ATOM 1574 CA GLN A 102 6.024 6.885 -4.936 1.00 0.00 C ATOM 1575 C GLN A 102 7.329 7.014 -5.713 1.00 0.00 C ATOM 1576 O GLN A 102 7.458 7.867 -6.592 1.00 0.00 O ATOM 1577 CB GLN A 102 6.067 7.774 -3.691 1.00 0.00 C ATOM 1578 CG GLN A 102 7.169 7.398 -2.714 1.00 0.00 C ATOM 1579 CD GLN A 102 7.663 8.583 -1.907 1.00 0.00 C ATOM 1580 OE1 GLN A 102 8.674 9.199 -2.243 1.00 0.00 O ATOM 1581 NE2 GLN A 102 6.949 8.908 -0.835 1.00 0.00 N ATOM 0 H GLN A 102 5.710 5.339 -3.554 1.00 0.00 H new ATOM 0 HA GLN A 102 5.207 7.211 -5.579 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.204 8.811 -3.999 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.105 7.718 -3.181 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.801 6.629 -2.035 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.004 6.964 -3.264 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.117 8.369 -0.594 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.233 9.696 -0.253 1.00 0.00 H new ATOM 1590 N ASP A 103 8.295 6.164 -5.384 1.00 0.00 N ATOM 1591 CA ASP A 103 9.591 6.182 -6.052 1.00 0.00 C ATOM 1592 C ASP A 103 9.454 5.776 -7.516 1.00 0.00 C ATOM 1593 O ASP A 103 10.002 6.428 -8.406 1.00 0.00 O ATOM 1594 CB ASP A 103 10.569 5.246 -5.340 1.00 0.00 C ATOM 1595 CG ASP A 103 11.205 5.890 -4.123 1.00 0.00 C ATOM 1596 OD1 ASP A 103 11.341 7.132 -4.112 1.00 0.00 O ATOM 1597 OD2 ASP A 103 11.567 5.152 -3.183 1.00 0.00 O ATOM 0 H ASP A 103 8.205 5.453 -4.658 1.00 0.00 H new ATOM 0 HA ASP A 103 9.979 7.200 -6.011 1.00 0.00 H new ATOM 0 HB2 ASP A 103 10.044 4.340 -5.036 1.00 0.00 H new ATOM 0 HB3 ASP A 103 11.350 4.943 -6.037 1.00 0.00 H new ATOM 1602 N LEU A 104 8.720 4.696 -7.758 1.00 0.00 N ATOM 1603 CA LEU A 104 8.511 4.202 -9.115 1.00 0.00 C ATOM 1604 C LEU A 104 7.869 5.272 -9.992 1.00 0.00 C ATOM 1605 O LEU A 104 8.240 5.441 -11.153 1.00 0.00 O ATOM 1606 CB LEU A 104 7.632 2.950 -9.093 1.00 0.00 C ATOM 1607 CG LEU A 104 8.191 1.750 -8.327 1.00 0.00 C ATOM 1608 CD1 LEU A 104 7.077 0.778 -7.972 1.00 0.00 C ATOM 1609 CD2 LEU A 104 9.270 1.053 -9.143 1.00 0.00 C ATOM 0 H LEU A 104 8.260 4.146 -7.033 1.00 0.00 H new ATOM 0 HA LEU A 104 9.484 3.949 -9.537 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.668 3.215 -8.659 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.445 2.644 -10.122 1.00 0.00 H new ATOM 0 HG LEU A 104 8.639 2.110 -7.401 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.493 -0.069 -7.427 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.339 1.283 -7.349 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.599 0.423 -8.885 1.00 0.00 H new ATOM 0 HD21 LEU A 104 9.657 0.202 -8.583 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.846 0.705 -10.085 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.081 1.752 -9.346 1.00 0.00 H new ATOM 1621 N MET A 105 6.907 5.994 -9.427 1.00 0.00 N ATOM 1622 CA MET A 105 6.216 7.051 -10.156 1.00 0.00 C ATOM 1623 C MET A 105 7.196 8.132 -10.604 1.00 0.00 C ATOM 1624 O MET A 105 7.285 8.447 -11.790 1.00 0.00 O ATOM 1625 CB MET A 105 5.120 7.669 -9.286 1.00 0.00 C ATOM 1626 CG MET A 105 3.880 6.799 -9.163 1.00 0.00 C ATOM 1627 SD MET A 105 2.774 6.962 -10.578 1.00 0.00 S ATOM 1628 CE MET A 105 1.219 7.298 -9.755 1.00 0.00 C ATOM 0 H MET A 105 6.588 5.866 -8.467 1.00 0.00 H new ATOM 0 HA MET A 105 5.760 6.609 -11.041 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.521 7.858 -8.290 1.00 0.00 H new ATOM 0 HB3 MET A 105 4.836 8.635 -9.704 1.00 0.00 H new ATOM 0 HG2 MET A 105 4.181 5.756 -9.060 1.00 0.00 H new ATOM 0 HG3 MET A 105 3.342 7.066 -8.254 1.00 0.00 H new ATOM 0 HE1 MET A 105 0.500 7.683 -10.478 1.00 0.00 H new ATOM 0 HE2 MET A 105 0.834 6.378 -9.315 1.00 0.00 H new ATOM 0 HE3 MET A 105 1.375 8.038 -8.970 1.00 0.00 H new ATOM 1638 N GLN A 106 7.926 8.695 -9.648 1.00 0.00 N ATOM 1639 CA GLN A 106 8.898 9.741 -9.945 1.00 0.00 C ATOM 1640 C GLN A 106 10.034 9.199 -10.806 1.00 0.00 C ATOM 1641 O GLN A 106 10.589 9.915 -11.640 1.00 0.00 O ATOM 1642 CB GLN A 106 9.459 10.328 -8.649 1.00 0.00 C ATOM 1643 CG GLN A 106 10.242 9.326 -7.816 1.00 0.00 C ATOM 1644 CD GLN A 106 11.175 9.994 -6.825 1.00 0.00 C ATOM 1645 OE1 GLN A 106 10.763 10.860 -6.053 1.00 0.00 O ATOM 1646 NE2 GLN A 106 12.441 9.593 -6.841 1.00 0.00 N ATOM 0 H GLN A 106 7.863 8.445 -8.661 1.00 0.00 H new ATOM 0 HA GLN A 106 8.389 10.528 -10.501 1.00 0.00 H new ATOM 0 HB2 GLN A 106 10.106 11.171 -8.892 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.636 10.720 -8.052 1.00 0.00 H new ATOM 0 HG2 GLN A 106 9.545 8.684 -7.277 1.00 0.00 H new ATOM 0 HG3 GLN A 106 10.822 8.683 -8.478 1.00 0.00 H new ATOM 0 HE21 GLN A 106 12.739 8.872 -7.498 1.00 0.00 H new ATOM 0 HE22 GLN A 106 13.115 10.006 -6.196 1.00 0.00 H new ATOM 2022 N PHE A 136 -11.784 -6.190 0.071 1.00 0.00 N ATOM 2023 CA PHE A 136 -12.776 -5.343 0.722 1.00 0.00 C ATOM 2024 C PHE A 136 -12.545 -3.874 0.379 1.00 0.00 C ATOM 2025 O PHE A 136 -11.436 -3.359 0.522 1.00 0.00 O ATOM 2026 CB PHE A 136 -12.728 -5.538 2.239 1.00 0.00 C ATOM 2027 CG PHE A 136 -13.807 -4.795 2.974 1.00 0.00 C ATOM 2028 CD1 PHE A 136 -15.081 -5.328 3.083 1.00 0.00 C ATOM 2029 CD2 PHE A 136 -13.547 -3.565 3.556 1.00 0.00 C ATOM 2030 CE1 PHE A 136 -16.077 -4.646 3.757 1.00 0.00 C ATOM 2031 CE2 PHE A 136 -14.538 -2.879 4.232 1.00 0.00 C ATOM 2032 CZ PHE A 136 -15.804 -3.421 4.334 1.00 0.00 C ATOM 0 HA PHE A 136 -13.761 -5.633 0.357 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -12.813 -6.601 2.463 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -11.756 -5.211 2.609 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -15.299 -6.287 2.636 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -12.558 -3.137 3.481 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -17.067 -5.070 3.832 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -14.323 -1.920 4.680 1.00 0.00 H new ATOM 0 HZ PHE A 136 -16.579 -2.888 4.864 1.00 0.00 H new ATOM 2042 N ARG A 137 -13.601 -3.205 -0.073 1.00 0.00 N ATOM 2043 CA ARG A 137 -13.514 -1.796 -0.438 1.00 0.00 C ATOM 2044 C ARG A 137 -13.819 -0.904 0.761 1.00 0.00 C ATOM 2045 O ARG A 137 -14.841 -1.071 1.428 1.00 0.00 O ATOM 2046 CB ARG A 137 -14.482 -1.483 -1.581 1.00 0.00 C ATOM 2047 CG ARG A 137 -13.966 -1.902 -2.948 1.00 0.00 C ATOM 2048 CD ARG A 137 -14.092 -3.403 -3.155 1.00 0.00 C ATOM 2049 NE ARG A 137 -14.035 -3.768 -4.568 1.00 0.00 N ATOM 2050 CZ ARG A 137 -14.441 -4.941 -5.041 1.00 0.00 C ATOM 2051 NH1 ARG A 137 -14.931 -5.857 -4.218 1.00 0.00 N ATOM 2052 NH2 ARG A 137 -14.357 -5.198 -6.340 1.00 0.00 N ATOM 0 H ARG A 137 -14.526 -3.616 -0.195 1.00 0.00 H new ATOM 0 HA ARG A 137 -12.495 -1.594 -0.769 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -15.430 -1.985 -1.390 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -14.685 -0.412 -1.591 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -14.524 -1.378 -3.725 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -12.922 -1.606 -3.050 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -13.292 -3.911 -2.617 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -15.033 -3.750 -2.729 1.00 0.00 H new ATOM 0 HE ARG A 137 -13.663 -3.085 -5.228 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -14.997 -5.662 -3.219 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -15.242 -6.757 -4.584 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -13.981 -4.495 -6.976 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -14.669 -6.099 -6.703 1.00 0.00 H new ATOM 2066 N LEU A 138 -12.928 0.043 1.030 1.00 0.00 N ATOM 2067 CA LEU A 138 -13.101 0.962 2.149 1.00 0.00 C ATOM 2068 C LEU A 138 -13.694 2.287 1.679 1.00 0.00 C ATOM 2069 O LEU A 138 -13.328 2.802 0.623 1.00 0.00 O ATOM 2070 CB LEU A 138 -11.761 1.209 2.845 1.00 0.00 C ATOM 2071 CG LEU A 138 -11.071 -0.025 3.428 1.00 0.00 C ATOM 2072 CD1 LEU A 138 -9.566 0.185 3.490 1.00 0.00 C ATOM 2073 CD2 LEU A 138 -11.625 -0.343 4.810 1.00 0.00 C ATOM 0 H LEU A 138 -12.077 0.195 0.488 1.00 0.00 H new ATOM 0 HA LEU A 138 -13.793 0.506 2.857 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -11.083 1.676 2.130 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -11.919 1.927 3.650 1.00 0.00 H new ATOM 0 HG LEU A 138 -11.272 -0.874 2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -9.092 -0.703 3.907 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -9.182 0.364 2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -9.344 1.045 4.121 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -11.123 -1.224 5.210 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -11.455 0.504 5.474 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -12.695 -0.537 4.737 1.00 0.00 H new ATOM 2085 N ARG A 139 -14.611 2.833 2.472 1.00 0.00 N ATOM 2086 CA ARG A 139 -15.254 4.098 2.138 1.00 0.00 C ATOM 2087 C ARG A 139 -14.338 5.275 2.460 1.00 0.00 C ATOM 2088 O ARG A 139 -14.190 6.198 1.658 1.00 0.00 O ATOM 2089 CB ARG A 139 -16.573 4.241 2.899 1.00 0.00 C ATOM 2090 CG ARG A 139 -17.689 3.367 2.352 1.00 0.00 C ATOM 2091 CD ARG A 139 -18.943 3.463 3.208 1.00 0.00 C ATOM 2092 NE ARG A 139 -18.836 2.664 4.426 1.00 0.00 N ATOM 2093 CZ ARG A 139 -19.886 2.201 5.095 1.00 0.00 C ATOM 2094 NH1 ARG A 139 -21.115 2.456 4.667 1.00 0.00 N ATOM 2095 NH2 ARG A 139 -19.708 1.481 6.195 1.00 0.00 N ATOM 0 H ARG A 139 -14.925 2.419 3.350 1.00 0.00 H new ATOM 0 HA ARG A 139 -15.458 4.101 1.067 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -16.407 3.991 3.947 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -16.890 5.283 2.867 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -17.921 3.668 1.330 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -17.354 2.331 2.311 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -19.123 4.505 3.473 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -19.804 3.128 2.629 1.00 0.00 H new ATOM 0 HE ARG A 139 -17.904 2.450 4.782 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -21.256 3.009 3.822 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -21.919 2.099 5.183 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -18.764 1.283 6.528 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -20.515 1.126 6.708 1.00 0.00 H new ATOM 2109 N HIS A 140 -13.726 5.236 3.639 1.00 0.00 N ATOM 2110 CA HIS A 140 -12.824 6.300 4.068 1.00 0.00 C ATOM 2111 C HIS A 140 -11.388 5.791 4.159 1.00 0.00 C ATOM 2112 O HIS A 140 -11.144 4.665 4.592 1.00 0.00 O ATOM 2113 CB HIS A 140 -13.266 6.857 5.421 1.00 0.00 C ATOM 2114 CG HIS A 140 -12.979 5.940 6.570 1.00 0.00 C ATOM 2115 ND1 HIS A 140 -11.799 5.974 7.283 1.00 0.00 N ATOM 2116 CD2 HIS A 140 -13.728 4.961 7.130 1.00 0.00 C ATOM 2117 CE1 HIS A 140 -11.834 5.054 8.231 1.00 0.00 C ATOM 2118 NE2 HIS A 140 -12.993 4.426 8.159 1.00 0.00 N ATOM 0 H HIS A 140 -13.838 4.480 4.314 1.00 0.00 H new ATOM 0 HA HIS A 140 -12.862 7.097 3.325 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -12.765 7.810 5.593 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -14.336 7.061 5.388 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -14.718 4.658 6.824 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -11.048 4.851 8.943 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -13.294 3.666 8.769 1.00 0.00 H new ATOM 2127 N PHE A 141 -10.442 6.628 3.747 1.00 0.00 N ATOM 2128 CA PHE A 141 -9.031 6.263 3.780 1.00 0.00 C ATOM 2129 C PHE A 141 -8.609 5.848 5.187 1.00 0.00 C ATOM 2130 O PHE A 141 -8.648 6.636 6.132 1.00 0.00 O ATOM 2131 CB PHE A 141 -8.168 7.433 3.301 1.00 0.00 C ATOM 2132 CG PHE A 141 -6.967 7.005 2.507 1.00 0.00 C ATOM 2133 CD1 PHE A 141 -6.156 5.974 2.953 1.00 0.00 C ATOM 2134 CD2 PHE A 141 -6.648 7.636 1.315 1.00 0.00 C ATOM 2135 CE1 PHE A 141 -5.050 5.578 2.224 1.00 0.00 C ATOM 2136 CE2 PHE A 141 -5.544 7.244 0.582 1.00 0.00 C ATOM 2137 CZ PHE A 141 -4.743 6.215 1.038 1.00 0.00 C ATOM 0 H PHE A 141 -10.627 7.564 3.386 1.00 0.00 H new ATOM 0 HA PHE A 141 -8.885 5.415 3.111 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -8.779 8.099 2.691 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -7.836 8.008 4.166 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -6.391 5.474 3.881 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -7.269 8.443 0.955 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -4.427 4.772 2.582 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -5.308 7.742 -0.347 1.00 0.00 H new ATOM 0 HZ PHE A 141 -3.878 5.909 0.468 1.00 0.00 H new ATOM 2147 N PRO A 142 -8.198 4.580 5.330 1.00 0.00 N ATOM 2148 CA PRO A 142 -7.761 4.030 6.617 1.00 0.00 C ATOM 2149 C PRO A 142 -6.431 4.617 7.077 1.00 0.00 C ATOM 2150 O PRO A 142 -5.818 4.123 8.024 1.00 0.00 O ATOM 2151 CB PRO A 142 -7.615 2.533 6.332 1.00 0.00 C ATOM 2152 CG PRO A 142 -7.359 2.450 4.867 1.00 0.00 C ATOM 2153 CD PRO A 142 -8.126 3.584 4.247 1.00 0.00 C ATOM 0 HA PRO A 142 -8.464 4.259 7.418 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -6.794 2.100 6.903 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -8.518 1.988 6.608 1.00 0.00 H new ATOM 0 HG2 PRO A 142 -6.294 2.536 4.652 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -7.689 1.491 4.467 1.00 0.00 H new ATOM 0 HD2 PRO A 142 -7.616 3.981 3.369 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -9.118 3.269 3.924 1.00 0.00 H new ATOM 2161 N CYS A 143 -5.991 5.673 6.402 1.00 0.00 N ATOM 2162 CA CYS A 143 -4.732 6.328 6.742 1.00 0.00 C ATOM 2163 C CYS A 143 -4.841 7.839 6.568 1.00 0.00 C ATOM 2164 O CYS A 143 -5.493 8.323 5.643 1.00 0.00 O ATOM 2165 CB CYS A 143 -3.599 5.782 5.872 1.00 0.00 C ATOM 2166 SG CYS A 143 -3.179 4.055 6.203 1.00 0.00 S ATOM 0 H CYS A 143 -6.487 6.094 5.616 1.00 0.00 H new ATOM 0 HA CYS A 143 -4.511 6.117 7.788 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -3.880 5.882 4.824 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -2.711 6.396 6.023 1.00 0.00 H new ATOM 0 HG CYS A 143 -2.212 3.685 5.416 1.00 0.00 H new ATOM 2172 N GLY A 144 -4.200 8.581 7.466 1.00 0.00 N ATOM 2173 CA GLY A 144 -4.239 10.030 7.395 1.00 0.00 C ATOM 2174 C GLY A 144 -3.213 10.591 6.430 1.00 0.00 C ATOM 2175 O GLY A 144 -3.474 11.576 5.741 1.00 0.00 O ATOM 0 H GLY A 144 -3.654 8.204 8.241 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -5.235 10.349 7.088 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -4.064 10.444 8.388 1.00 0.00 H new ATOM 2179 N ASN A 145 -2.042 9.963 6.382 1.00 0.00 N ATOM 2180 CA ASN A 145 -0.973 10.408 5.496 1.00 0.00 C ATOM 2181 C ASN A 145 -1.232 9.956 4.062 1.00 0.00 C ATOM 2182 O ASN A 145 -0.986 8.803 3.708 1.00 0.00 O ATOM 2183 CB ASN A 145 0.375 9.866 5.978 1.00 0.00 C ATOM 2184 CG ASN A 145 0.249 8.508 6.640 1.00 0.00 C ATOM 2185 OD1 ASN A 145 -0.369 7.594 6.095 1.00 0.00 O ATOM 2186 ND2 ASN A 145 0.835 8.371 7.824 1.00 0.00 N ATOM 0 H ASN A 145 -1.810 9.145 6.946 1.00 0.00 H new ATOM 0 HA ASN A 145 -0.948 11.498 5.516 1.00 0.00 H new ATOM 0 HB2 ASN A 145 1.058 9.792 5.131 1.00 0.00 H new ATOM 0 HB3 ASN A 145 0.816 10.571 6.683 1.00 0.00 H new ATOM 0 HD21 ASN A 145 0.783 7.481 8.319 1.00 0.00 H new ATOM 0 HD22 ASN A 145 1.337 9.156 8.238 1.00 0.00 H new ATOM 2193 N VAL A 146 -1.730 10.874 3.239 1.00 0.00 N ATOM 2194 CA VAL A 146 -2.021 10.572 1.843 1.00 0.00 C ATOM 2195 C VAL A 146 -1.103 11.352 0.909 1.00 0.00 C ATOM 2196 O VAL A 146 -0.803 12.520 1.150 1.00 0.00 O ATOM 2197 CB VAL A 146 -3.486 10.894 1.492 1.00 0.00 C ATOM 2198 CG1 VAL A 146 -3.700 10.834 -0.012 1.00 0.00 C ATOM 2199 CG2 VAL A 146 -4.427 9.941 2.212 1.00 0.00 C ATOM 0 H VAL A 146 -1.940 11.833 3.516 1.00 0.00 H new ATOM 0 HA VAL A 146 -1.849 9.504 1.708 1.00 0.00 H new ATOM 0 HB VAL A 146 -3.708 11.908 1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 146 -4.741 11.064 -0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 146 -3.051 11.561 -0.501 1.00 0.00 H new ATOM 0 HG13 VAL A 146 -3.462 9.834 -0.374 1.00 0.00 H new ATOM 0 HG21 VAL A 146 -5.458 10.183 1.953 1.00 0.00 H new ATOM 0 HG22 VAL A 146 -4.208 8.917 1.911 1.00 0.00 H new ATOM 0 HG23 VAL A 146 -4.291 10.040 3.289 1.00 0.00 H new ATOM 2209 N ASN A 147 -0.660 10.697 -0.160 1.00 0.00 N ATOM 2210 CA ASN A 147 0.225 11.330 -1.131 1.00 0.00 C ATOM 2211 C ASN A 147 -0.384 11.288 -2.529 1.00 0.00 C ATOM 2212 O ASN A 147 -1.183 10.406 -2.844 1.00 0.00 O ATOM 2213 CB ASN A 147 1.589 10.637 -1.136 1.00 0.00 C ATOM 2214 CG ASN A 147 2.606 11.369 -1.991 1.00 0.00 C ATOM 2215 OD1 ASN A 147 2.357 12.482 -2.456 1.00 0.00 O ATOM 2216 ND2 ASN A 147 3.760 10.746 -2.202 1.00 0.00 N ATOM 0 H ASN A 147 -0.899 9.729 -0.375 1.00 0.00 H new ATOM 0 HA ASN A 147 0.356 12.373 -0.842 1.00 0.00 H new ATOM 0 HB2 ASN A 147 1.961 10.566 -0.114 1.00 0.00 H new ATOM 0 HB3 ASN A 147 1.474 9.618 -1.505 1.00 0.00 H new ATOM 0 HD21 ASN A 147 4.483 11.189 -2.769 1.00 0.00 H new ATOM 0 HD22 ASN A 147 3.923 9.824 -1.797 1.00 0.00 H new ATOM 2223 N TYR A 148 -0.001 12.248 -3.364 1.00 0.00 N ATOM 2224 CA TYR A 148 -0.510 12.322 -4.729 1.00 0.00 C ATOM 2225 C TYR A 148 0.588 12.000 -5.738 1.00 0.00 C ATOM 2226 O TYR A 148 1.731 12.429 -5.588 1.00 0.00 O ATOM 2227 CB TYR A 148 -1.081 13.713 -5.007 1.00 0.00 C ATOM 2228 CG TYR A 148 -2.464 13.926 -4.433 1.00 0.00 C ATOM 2229 CD1 TYR A 148 -2.685 13.872 -3.062 1.00 0.00 C ATOM 2230 CD2 TYR A 148 -3.550 14.179 -5.262 1.00 0.00 C ATOM 2231 CE1 TYR A 148 -3.946 14.064 -2.533 1.00 0.00 C ATOM 2232 CE2 TYR A 148 -4.815 14.374 -4.741 1.00 0.00 C ATOM 2233 CZ TYR A 148 -5.008 14.316 -3.377 1.00 0.00 C ATOM 2234 OH TYR A 148 -6.267 14.508 -2.855 1.00 0.00 O ATOM 0 H TYR A 148 0.660 12.985 -3.120 1.00 0.00 H new ATOM 0 HA TYR A 148 -1.304 11.582 -4.835 1.00 0.00 H new ATOM 0 HB2 TYR A 148 -0.406 14.463 -4.594 1.00 0.00 H new ATOM 0 HB3 TYR A 148 -1.115 13.874 -6.085 1.00 0.00 H new ATOM 0 HD1 TYR A 148 -1.856 13.676 -2.398 1.00 0.00 H new ATOM 0 HD2 TYR A 148 -3.403 14.224 -6.331 1.00 0.00 H new ATOM 0 HE1 TYR A 148 -4.100 14.017 -1.465 1.00 0.00 H new ATOM 0 HE2 TYR A 148 -5.648 14.571 -5.399 1.00 0.00 H new ATOM 0 HH TYR A 148 -6.901 14.675 -3.583 1.00 0.00 H new ATOM 2244 N GLY A 149 0.230 11.240 -6.769 1.00 0.00 N ATOM 2245 CA GLY A 149 1.194 10.873 -7.790 1.00 0.00 C ATOM 2246 C GLY A 149 1.242 11.872 -8.929 1.00 0.00 C ATOM 2247 O GLY A 149 1.855 12.933 -8.808 1.00 0.00 O ATOM 0 H GLY A 149 -0.710 10.872 -6.915 1.00 0.00 H new ATOM 0 HA2 GLY A 149 2.183 10.793 -7.339 1.00 0.00 H new ATOM 0 HA3 GLY A 149 0.943 9.888 -8.185 1.00 0.00 H new