USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 839 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 119 CYS SG : rot 180:sc= 0.0204 USER MOD Set 1.2: A 122 CYS SG : rot 164:sc= 0.0146 USER MOD Set 2.1: A 100 TYR OH : rot 157:sc= 1.19 USER MOD Set 2.2: A 102 CYS SG : rot -143:sc= 0.245 USER MOD Set 2.3: A 104 ASN : amide:sc= -0.64 X(o=2.2,f=1.9) USER MOD Set 2.4: A 105 CYS SG : rot 135:sc= 0.272 USER MOD Set 2.5: A 118 HIS : no HD1:sc= -0.0412 K(o=2.2,f=0.4) USER MOD Set 2.6: A 123 ASN : amide:sc= -0.0862 K(o=2.2,f=-0.3!) USER MOD Set 2.7: A 125 CYS SG : rot 43:sc= 1.24 USER MOD Set 3.1: A 87 CYS SG : rot -128:sc= 0.471 USER MOD Set 3.2: A 90 CYS SG : rot 153:sc= -1.08! USER MOD Set 3.3: A 101 HIS : no HD1:sc=-0.00907 X(o=-3.4,f=-3.6) USER MOD Set 3.4: A 108 CYS SG : rot -92:sc= -2.77! USER MOD Set 4.1: A 62 CYS SG : rot -107:sc= 0.658 USER MOD Set 4.2: A 64 ASN : amide:sc= 0.539 K(o=2.9,f=1.4) USER MOD Set 4.3: A 65 CYS SG : rot -170:sc= 0.431 USER MOD Set 4.4: A 75 CYS SG : rot -143:sc= -0.774! USER MOD Set 4.5: A 78 CYS SG : rot 31:sc= 0.367 USER MOD Set 4.6: A 80 THR OG1 : rot 134:sc= 1.64! USER MOD Set 5.1: A 20 CYS SG : rot -112:sc= -0.423 USER MOD Set 5.2: A 22 HIS : no HD1:sc= -0.304 K(o=-4.4,f=-6) USER MOD Set 5.3: A 40 CYS SG : rot 167:sc= -3.67! USER MOD Set 5.4: A 43 CYS SG : rot 171:sc= 0.0396 USER MOD Set 6.1: A 33 CYS SG : rot 60:sc= -3.06! USER MOD Set 6.2: A 34 CYS SG : rot 177:sc= 0.835 USER MOD Set 6.3: A 44 HIS : no HD1:sc= -3.33 K(o=-5.4,f=-7.6!) USER MOD Set 6.4: A 50 HIS : no HE2:sc= 0.157 K(o=-5.4,f=-7.3) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 100:sc= -4.73! USER MOD Single : A 30 LYS NZ :NH3+ 155:sc= 0.407 (180deg=-0.185) USER MOD Single : A 36 LYS NZ :NH3+ -146:sc= 1.08 (180deg=0.398) USER MOD Single : A 38 TYR OH : rot 30:sc= -0.192 USER MOD Single : A 39 THR OG1 : rot -150:sc=-0.00351 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= 0.457 X(o=0.46,f=0) USER MOD Single : A 51 GLN : amide:sc= -0.0524 X(o=-0.052,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -2.41 K(o=-2.4,f=-7.8!) USER MOD Single : A 67 LYS NZ :NH3+ -158:sc= -0.717 (180deg=-1.75) USER MOD Single : A 69 GLN : amide:sc= -0.779 K(o=-0.78,f=-5.4!) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0.687 K(o=0.69,f=0) USER MOD Single : A 73 GLN : amide:sc= -3.28! C(o=-3.3!,f=-8.3!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 150:sc=-0.00628 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -0.324 K(o=-0.32,f=-3) USER MOD Single : A 95 LYS NZ :NH3+ 151:sc= 0.736 (180deg=0.291) USER MOD Single : A 97 LYS NZ :NH3+ -152:sc= 1.06 (180deg=0.548) USER MOD Single : A 98 LYS NZ :NH3+ 141:sc= 0.726 (180deg=0.0951) USER MOD Single : A 99 GLN : amide:sc= -0.165 K(o=-0.16,f=-2.7) USER MOD Single : A 113 LYS NZ :NH3+ -142:sc= 0.731 (180deg=0.17) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 MET CE :methyl 173:sc= 0 (180deg=-0.107) USER MOD ----------------------------------------------------------------- ATOM 231 N ARG A 18 -9.815 8.108 -9.545 1.00 0.00 N ATOM 232 CA ARG A 18 -8.810 7.916 -8.465 1.00 0.00 C ATOM 233 C ARG A 18 -9.218 6.752 -7.543 1.00 0.00 C ATOM 234 O ARG A 18 -10.365 6.289 -7.585 1.00 0.00 O ATOM 235 CB ARG A 18 -8.588 9.208 -7.603 1.00 0.00 C ATOM 236 CG ARG A 18 -9.772 9.635 -6.680 1.00 0.00 C ATOM 237 CD ARG A 18 -11.016 10.085 -7.468 1.00 0.00 C ATOM 238 NE ARG A 18 -12.107 10.589 -6.616 1.00 0.00 N ATOM 239 CZ ARG A 18 -12.989 11.534 -6.989 1.00 0.00 C ATOM 240 NH1 ARG A 18 -12.846 12.178 -8.143 1.00 0.00 N ATOM 241 NH2 ARG A 18 -14.003 11.854 -6.194 1.00 0.00 N ATOM 0 HA ARG A 18 -7.868 7.684 -8.963 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.706 9.057 -6.980 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.364 10.035 -8.277 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.041 8.800 -6.033 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.445 10.448 -6.032 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.727 10.865 -8.172 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.385 9.245 -8.057 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.200 10.195 -5.680 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -12.061 11.958 -8.756 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -13.521 12.893 -8.415 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -14.116 11.383 -5.296 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.669 12.571 -6.481 1.00 0.00 H new ATOM 255 N GLY A 19 -8.263 6.314 -6.694 1.00 0.00 N ATOM 256 CA GLY A 19 -8.491 5.250 -5.715 1.00 0.00 C ATOM 257 C GLY A 19 -8.817 3.890 -6.325 1.00 0.00 C ATOM 258 O GLY A 19 -8.620 3.659 -7.525 1.00 0.00 O ATOM 0 H GLY A 19 -7.316 6.693 -6.675 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.603 5.151 -5.091 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.310 5.546 -5.059 1.00 0.00 H new ATOM 262 N CYS A 20 -9.266 2.980 -5.460 1.00 0.00 N ATOM 263 CA CYS A 20 -9.796 1.665 -5.843 1.00 0.00 C ATOM 264 C CYS A 20 -10.615 1.106 -4.674 1.00 0.00 C ATOM 265 O CYS A 20 -10.464 1.571 -3.534 1.00 0.00 O ATOM 266 CB CYS A 20 -8.659 0.688 -6.232 1.00 0.00 C ATOM 267 SG CYS A 20 -9.228 -0.918 -6.878 1.00 0.00 S ATOM 0 H CYS A 20 -9.273 3.137 -4.452 1.00 0.00 H new ATOM 0 HA CYS A 20 -10.433 1.779 -6.720 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.029 1.165 -6.983 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.034 0.512 -5.357 1.00 0.00 H new ATOM 0 HG CYS A 20 -8.929 -1.857 -6.030 1.00 0.00 H new ATOM 272 N GLU A 21 -11.470 0.102 -4.960 1.00 0.00 N ATOM 273 CA GLU A 21 -12.277 -0.615 -3.937 1.00 0.00 C ATOM 274 C GLU A 21 -11.393 -1.205 -2.808 1.00 0.00 C ATOM 275 O GLU A 21 -11.823 -1.310 -1.657 1.00 0.00 O ATOM 276 CB GLU A 21 -13.099 -1.739 -4.621 1.00 0.00 C ATOM 277 CG GLU A 21 -12.237 -2.771 -5.374 1.00 0.00 C ATOM 278 CD GLU A 21 -13.052 -3.880 -6.053 1.00 0.00 C ATOM 279 OE1 GLU A 21 -13.340 -4.906 -5.402 1.00 0.00 O ATOM 280 OE2 GLU A 21 -13.395 -3.740 -7.249 1.00 0.00 O ATOM 0 H GLU A 21 -11.624 -0.239 -5.909 1.00 0.00 H new ATOM 0 HA GLU A 21 -12.951 0.105 -3.474 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -13.690 -2.256 -3.865 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.802 -1.287 -5.321 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.644 -2.254 -6.129 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.536 -3.225 -4.674 1.00 0.00 H new ATOM 287 N HIS A 22 -10.149 -1.556 -3.170 1.00 0.00 N ATOM 288 CA HIS A 22 -9.173 -2.172 -2.260 1.00 0.00 C ATOM 289 C HIS A 22 -8.453 -1.108 -1.402 1.00 0.00 C ATOM 290 O HIS A 22 -8.278 -1.297 -0.196 1.00 0.00 O ATOM 291 CB HIS A 22 -8.153 -3.002 -3.084 1.00 0.00 C ATOM 292 CG HIS A 22 -8.781 -4.124 -3.875 1.00 0.00 C ATOM 293 ND1 HIS A 22 -8.860 -4.086 -5.251 1.00 0.00 N ATOM 294 CD2 HIS A 22 -9.355 -5.271 -3.435 1.00 0.00 C ATOM 295 CE1 HIS A 22 -9.478 -5.196 -5.608 1.00 0.00 C ATOM 296 NE2 HIS A 22 -9.798 -5.943 -4.545 1.00 0.00 N ATOM 0 H HIS A 22 -9.789 -1.418 -4.114 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.703 -2.833 -1.574 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -7.626 -2.337 -3.769 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -7.407 -3.419 -2.408 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.446 -5.593 -2.408 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.698 -5.467 -6.630 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -10.280 -6.842 -4.558 1.00 0.00 H new ATOM 304 N TYR A 23 -8.020 0.005 -2.038 1.00 0.00 N ATOM 305 CA TYR A 23 -7.277 1.099 -1.353 1.00 0.00 C ATOM 306 C TYR A 23 -7.781 2.464 -1.841 1.00 0.00 C ATOM 307 O TYR A 23 -7.737 2.742 -3.047 1.00 0.00 O ATOM 308 CB TYR A 23 -5.746 1.007 -1.626 1.00 0.00 C ATOM 309 CG TYR A 23 -5.102 -0.325 -1.216 1.00 0.00 C ATOM 310 CD1 TYR A 23 -4.696 -0.563 0.103 1.00 0.00 C ATOM 311 CD2 TYR A 23 -4.928 -1.351 -2.147 1.00 0.00 C ATOM 312 CE1 TYR A 23 -4.135 -1.773 0.466 1.00 0.00 C ATOM 313 CE2 TYR A 23 -4.378 -2.558 -1.786 1.00 0.00 C ATOM 314 CZ TYR A 23 -3.980 -2.767 -0.481 1.00 0.00 C ATOM 315 OH TYR A 23 -3.428 -3.978 -0.123 1.00 0.00 O ATOM 0 H TYR A 23 -8.172 0.174 -3.032 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.452 0.991 -0.282 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.570 1.168 -2.689 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.246 1.816 -1.094 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -4.823 0.210 0.847 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.232 -1.193 -3.171 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.819 -1.941 1.485 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -4.258 -3.340 -2.521 1.00 0.00 H new ATOM 0 HH TYR A 23 -3.392 -4.565 -0.907 1.00 0.00 H new ATOM 325 N ASP A 24 -8.247 3.307 -0.904 1.00 0.00 N ATOM 326 CA ASP A 24 -8.618 4.707 -1.189 1.00 0.00 C ATOM 327 C ASP A 24 -7.351 5.567 -1.135 1.00 0.00 C ATOM 328 O ASP A 24 -6.934 6.009 -0.052 1.00 0.00 O ATOM 329 CB ASP A 24 -9.673 5.235 -0.179 1.00 0.00 C ATOM 330 CG ASP A 24 -11.022 4.517 -0.288 1.00 0.00 C ATOM 331 OD1 ASP A 24 -11.189 3.452 0.341 1.00 0.00 O ATOM 332 OD2 ASP A 24 -11.914 4.999 -1.021 1.00 0.00 O ATOM 0 H ASP A 24 -8.378 3.039 0.072 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.068 4.760 -2.180 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.287 5.119 0.834 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.822 6.302 -0.343 1.00 0.00 H new ATOM 337 N ARG A 25 -6.707 5.736 -2.302 1.00 0.00 N ATOM 338 CA ARG A 25 -5.464 6.511 -2.420 1.00 0.00 C ATOM 339 C ARG A 25 -5.404 7.280 -3.747 1.00 0.00 C ATOM 340 O ARG A 25 -5.945 6.838 -4.765 1.00 0.00 O ATOM 341 CB ARG A 25 -4.227 5.580 -2.277 1.00 0.00 C ATOM 342 CG ARG A 25 -4.122 4.445 -3.313 1.00 0.00 C ATOM 343 CD ARG A 25 -2.871 3.551 -3.146 1.00 0.00 C ATOM 344 NE ARG A 25 -2.802 2.887 -1.830 1.00 0.00 N ATOM 345 CZ ARG A 25 -2.040 1.819 -1.536 1.00 0.00 C ATOM 346 NH1 ARG A 25 -1.317 1.207 -2.472 1.00 0.00 N ATOM 347 NH2 ARG A 25 -2.005 1.365 -0.296 1.00 0.00 N ATOM 0 H ARG A 25 -7.032 5.341 -3.184 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.451 7.241 -1.611 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.326 6.191 -2.342 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.241 5.138 -1.281 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.013 3.821 -3.244 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.114 4.880 -4.313 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.867 2.793 -3.929 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.977 4.159 -3.286 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.380 3.270 -1.082 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.335 1.547 -3.433 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.746 0.398 -2.227 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.554 1.824 0.431 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.429 0.555 -0.065 1.00 0.00 H new ATOM 361 N GLY A 26 -4.712 8.431 -3.716 1.00 0.00 N ATOM 362 CA GLY A 26 -4.463 9.242 -4.909 1.00 0.00 C ATOM 363 C GLY A 26 -3.161 8.866 -5.605 1.00 0.00 C ATOM 364 O GLY A 26 -2.502 9.729 -6.208 1.00 0.00 O ATOM 0 H GLY A 26 -4.312 8.821 -2.863 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.292 9.122 -5.606 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.431 10.295 -4.629 1.00 0.00 H new ATOM 368 N CYS A 27 -2.804 7.561 -5.555 1.00 0.00 N ATOM 369 CA CYS A 27 -1.576 7.033 -6.167 1.00 0.00 C ATOM 370 C CYS A 27 -1.782 5.612 -6.709 1.00 0.00 C ATOM 371 O CYS A 27 -2.708 4.898 -6.299 1.00 0.00 O ATOM 372 CB CYS A 27 -0.418 7.042 -5.145 1.00 0.00 C ATOM 373 SG CYS A 27 -0.732 6.102 -3.634 1.00 0.00 S ATOM 0 H CYS A 27 -3.365 6.849 -5.087 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.322 7.682 -7.005 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.475 6.642 -5.626 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.199 8.075 -4.874 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.152 4.941 -3.716 1.00 0.00 H new ATOM 379 N LEU A 28 -0.915 5.226 -7.665 1.00 0.00 N ATOM 380 CA LEU A 28 -0.831 3.852 -8.191 1.00 0.00 C ATOM 381 C LEU A 28 0.597 3.328 -7.973 1.00 0.00 C ATOM 382 O LEU A 28 1.560 4.048 -8.241 1.00 0.00 O ATOM 383 CB LEU A 28 -1.156 3.810 -9.708 1.00 0.00 C ATOM 384 CG LEU A 28 -2.517 4.426 -10.168 1.00 0.00 C ATOM 385 CD1 LEU A 28 -2.594 4.525 -11.702 1.00 0.00 C ATOM 386 CD2 LEU A 28 -3.719 3.654 -9.616 1.00 0.00 C ATOM 0 H LEU A 28 -0.248 5.866 -8.097 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.558 3.233 -7.666 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.356 4.326 -10.239 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.132 2.769 -10.029 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.560 5.434 -9.755 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.552 4.957 -11.991 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.785 5.158 -12.067 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.499 3.530 -12.136 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.641 4.120 -9.963 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.680 2.622 -9.965 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.692 3.670 -8.526 1.00 0.00 H new ATOM 398 N LEU A 29 0.714 2.083 -7.501 1.00 0.00 N ATOM 399 CA LEU A 29 2.007 1.388 -7.344 1.00 0.00 C ATOM 400 C LEU A 29 2.651 1.134 -8.721 1.00 0.00 C ATOM 401 O LEU A 29 2.096 0.377 -9.537 1.00 0.00 O ATOM 402 CB LEU A 29 1.792 0.039 -6.597 1.00 0.00 C ATOM 403 CG LEU A 29 1.330 0.144 -5.107 1.00 0.00 C ATOM 404 CD1 LEU A 29 1.098 -1.253 -4.488 1.00 0.00 C ATOM 405 CD2 LEU A 29 2.331 0.972 -4.260 1.00 0.00 C ATOM 0 H LEU A 29 -0.087 1.521 -7.214 1.00 0.00 H new ATOM 0 HA LEU A 29 2.677 2.018 -6.759 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.051 -0.543 -7.146 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.725 -0.523 -6.628 1.00 0.00 H new ATOM 0 HG LEU A 29 0.376 0.671 -5.099 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.778 -1.143 -3.452 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.327 -1.778 -5.052 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.025 -1.825 -4.523 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.979 1.025 -3.230 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.311 0.495 -4.285 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.408 1.979 -4.669 1.00 0.00 H new ATOM 417 N LYS A 30 3.793 1.796 -8.988 1.00 0.00 N ATOM 418 CA LYS A 30 4.569 1.548 -10.210 1.00 0.00 C ATOM 419 C LYS A 30 5.392 0.260 -10.030 1.00 0.00 C ATOM 420 O LYS A 30 6.366 0.231 -9.259 1.00 0.00 O ATOM 421 CB LYS A 30 5.492 2.729 -10.581 1.00 0.00 C ATOM 422 CG LYS A 30 6.128 2.562 -11.976 1.00 0.00 C ATOM 423 CD LYS A 30 7.061 3.718 -12.361 1.00 0.00 C ATOM 424 CE LYS A 30 7.645 3.519 -13.760 1.00 0.00 C ATOM 425 NZ LYS A 30 8.750 4.469 -14.054 1.00 0.00 N ATOM 0 H LYS A 30 4.195 2.504 -8.373 1.00 0.00 H new ATOM 0 HA LYS A 30 3.866 1.435 -11.035 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.920 3.656 -10.554 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.280 2.819 -9.834 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.689 1.628 -12.002 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.336 2.480 -12.721 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.512 4.659 -12.324 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.870 3.793 -11.634 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.013 2.497 -13.855 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.856 3.644 -14.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.376 4.060 -14.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.354 5.364 -14.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.294 4.648 -13.186 1.00 0.00 H new ATOM 439 N ALA A 31 4.962 -0.794 -10.733 1.00 0.00 N ATOM 440 CA ALA A 31 5.583 -2.116 -10.708 1.00 0.00 C ATOM 441 C ALA A 31 6.813 -2.121 -11.625 1.00 0.00 C ATOM 442 O ALA A 31 6.634 -2.110 -12.835 1.00 0.00 O ATOM 443 CB ALA A 31 4.561 -3.173 -11.176 1.00 0.00 C ATOM 0 H ALA A 31 4.151 -0.746 -11.350 1.00 0.00 H new ATOM 0 HA ALA A 31 5.899 -2.356 -9.693 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.024 -4.160 -11.158 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.698 -3.164 -10.510 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.238 -2.943 -12.191 1.00 0.00 H new ATOM 449 N PRO A 32 8.077 -2.179 -11.078 1.00 0.00 N ATOM 450 CA PRO A 32 9.327 -2.088 -11.895 1.00 0.00 C ATOM 451 C PRO A 32 9.515 -3.313 -12.822 1.00 0.00 C ATOM 452 O PRO A 32 10.348 -3.297 -13.734 1.00 0.00 O ATOM 453 CB PRO A 32 10.441 -2.015 -10.815 1.00 0.00 C ATOM 454 CG PRO A 32 9.860 -2.740 -9.644 1.00 0.00 C ATOM 455 CD PRO A 32 8.393 -2.378 -9.637 1.00 0.00 C ATOM 0 HA PRO A 32 9.324 -1.236 -12.575 1.00 0.00 H new ATOM 0 HB2 PRO A 32 11.362 -2.486 -11.159 1.00 0.00 H new ATOM 0 HB3 PRO A 32 10.686 -0.983 -10.564 1.00 0.00 H new ATOM 0 HG2 PRO A 32 9.999 -3.817 -9.740 1.00 0.00 H new ATOM 0 HG3 PRO A 32 10.344 -2.438 -8.715 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.786 -3.170 -9.199 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.205 -1.475 -9.056 1.00 0.00 H new ATOM 463 N CYS A 33 8.709 -4.358 -12.565 1.00 0.00 N ATOM 464 CA CYS A 33 8.684 -5.596 -13.350 1.00 0.00 C ATOM 465 C CYS A 33 8.146 -5.362 -14.782 1.00 0.00 C ATOM 466 O CYS A 33 8.472 -6.118 -15.696 1.00 0.00 O ATOM 467 CB CYS A 33 7.816 -6.616 -12.594 1.00 0.00 C ATOM 468 SG CYS A 33 6.191 -5.956 -12.104 1.00 0.00 S ATOM 0 H CYS A 33 8.046 -4.362 -11.790 1.00 0.00 H new ATOM 0 HA CYS A 33 9.700 -5.973 -13.465 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.669 -7.494 -13.223 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.350 -6.947 -11.703 1.00 0.00 H new ATOM 0 HG CYS A 33 5.537 -5.582 -13.164 1.00 0.00 H new ATOM 473 N CYS A 34 7.318 -4.307 -14.962 1.00 0.00 N ATOM 474 CA CYS A 34 6.746 -3.938 -16.287 1.00 0.00 C ATOM 475 C CYS A 34 6.476 -2.416 -16.390 1.00 0.00 C ATOM 476 O CYS A 34 5.820 -1.963 -17.335 1.00 0.00 O ATOM 477 CB CYS A 34 5.457 -4.767 -16.551 1.00 0.00 C ATOM 478 SG CYS A 34 4.231 -4.713 -15.200 1.00 0.00 S ATOM 0 H CYS A 34 7.027 -3.690 -14.204 1.00 0.00 H new ATOM 0 HA CYS A 34 7.478 -4.176 -17.059 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.988 -4.403 -17.465 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.738 -5.805 -16.728 1.00 0.00 H new ATOM 0 HG CYS A 34 3.171 -5.381 -15.549 1.00 0.00 H new ATOM 483 N ASP A 35 7.022 -1.642 -15.414 1.00 0.00 N ATOM 484 CA ASP A 35 6.874 -0.156 -15.296 1.00 0.00 C ATOM 485 C ASP A 35 5.401 0.325 -15.307 1.00 0.00 C ATOM 486 O ASP A 35 5.130 1.506 -15.563 1.00 0.00 O ATOM 487 CB ASP A 35 7.721 0.571 -16.382 1.00 0.00 C ATOM 488 CG ASP A 35 9.232 0.389 -16.163 1.00 0.00 C ATOM 489 OD1 ASP A 35 9.789 -0.646 -16.596 1.00 0.00 O ATOM 490 OD2 ASP A 35 9.865 1.263 -15.529 1.00 0.00 O ATOM 0 H ASP A 35 7.592 -2.039 -14.667 1.00 0.00 H new ATOM 0 HA ASP A 35 7.260 0.114 -14.313 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.450 0.189 -17.366 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.481 1.634 -16.375 1.00 0.00 H new ATOM 495 N LYS A 36 4.466 -0.579 -14.962 1.00 0.00 N ATOM 496 CA LYS A 36 3.010 -0.316 -15.034 1.00 0.00 C ATOM 497 C LYS A 36 2.456 0.255 -13.722 1.00 0.00 C ATOM 498 O LYS A 36 3.064 0.122 -12.669 1.00 0.00 O ATOM 499 CB LYS A 36 2.241 -1.597 -15.436 1.00 0.00 C ATOM 500 CG LYS A 36 2.292 -1.934 -16.941 1.00 0.00 C ATOM 501 CD LYS A 36 1.353 -3.104 -17.304 1.00 0.00 C ATOM 502 CE LYS A 36 1.185 -3.277 -18.815 1.00 0.00 C ATOM 503 NZ LYS A 36 0.266 -4.400 -19.149 1.00 0.00 N ATOM 0 H LYS A 36 4.695 -1.514 -14.625 1.00 0.00 H new ATOM 0 HA LYS A 36 2.861 0.441 -15.804 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.647 -2.439 -14.875 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.198 -1.487 -15.137 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.014 -1.053 -17.519 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.314 -2.189 -17.221 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.747 -4.027 -16.878 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.376 -2.935 -16.851 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.799 -2.353 -19.245 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.159 -3.458 -19.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.584 -4.859 -20.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.270 -5.094 -18.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.698 -4.032 -19.280 1.00 0.00 H new ATOM 517 N LEU A 37 1.264 0.867 -13.823 1.00 0.00 N ATOM 518 CA LEU A 37 0.654 1.669 -12.741 1.00 0.00 C ATOM 519 C LEU A 37 -0.677 1.032 -12.270 1.00 0.00 C ATOM 520 O LEU A 37 -1.667 1.062 -13.006 1.00 0.00 O ATOM 521 CB LEU A 37 0.401 3.133 -13.233 1.00 0.00 C ATOM 522 CG LEU A 37 1.650 4.002 -13.631 1.00 0.00 C ATOM 523 CD1 LEU A 37 2.748 3.942 -12.556 1.00 0.00 C ATOM 524 CD2 LEU A 37 2.200 3.663 -15.041 1.00 0.00 C ATOM 0 H LEU A 37 0.689 0.820 -14.664 1.00 0.00 H new ATOM 0 HA LEU A 37 1.345 1.690 -11.898 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.262 3.086 -14.097 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.137 3.662 -12.446 1.00 0.00 H new ATOM 0 HG LEU A 37 1.301 5.033 -13.686 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.595 4.554 -12.866 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.354 4.319 -11.612 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.075 2.910 -12.427 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.061 4.296 -15.258 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.502 2.616 -15.072 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.424 3.839 -15.786 1.00 0.00 H new ATOM 536 N TYR A 38 -0.693 0.448 -11.045 1.00 0.00 N ATOM 537 CA TYR A 38 -1.905 -0.186 -10.448 1.00 0.00 C ATOM 538 C TYR A 38 -1.996 0.140 -8.948 1.00 0.00 C ATOM 539 O TYR A 38 -0.993 0.050 -8.254 1.00 0.00 O ATOM 540 CB TYR A 38 -1.870 -1.729 -10.610 1.00 0.00 C ATOM 541 CG TYR A 38 -1.836 -2.232 -12.061 1.00 0.00 C ATOM 542 CD1 TYR A 38 -3.013 -2.415 -12.788 1.00 0.00 C ATOM 543 CD2 TYR A 38 -0.628 -2.548 -12.690 1.00 0.00 C ATOM 544 CE1 TYR A 38 -2.987 -2.888 -14.084 1.00 0.00 C ATOM 545 CE2 TYR A 38 -0.605 -3.026 -13.985 1.00 0.00 C ATOM 546 CZ TYR A 38 -1.783 -3.196 -14.678 1.00 0.00 C ATOM 547 OH TYR A 38 -1.754 -3.677 -15.968 1.00 0.00 O ATOM 0 H TYR A 38 0.129 0.401 -10.442 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.772 0.214 -10.975 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.994 -2.114 -10.088 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.746 -2.150 -10.116 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.962 -2.182 -12.328 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.301 -2.416 -12.155 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.909 -3.016 -14.632 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.337 -3.267 -14.455 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.514 -3.315 -16.469 1.00 0.00 H new ATOM 557 N THR A 39 -3.214 0.461 -8.455 1.00 0.00 N ATOM 558 CA THR A 39 -3.462 0.796 -7.026 1.00 0.00 C ATOM 559 C THR A 39 -3.049 -0.363 -6.075 1.00 0.00 C ATOM 560 O THR A 39 -2.604 -0.134 -4.940 1.00 0.00 O ATOM 561 CB THR A 39 -4.986 1.107 -6.780 1.00 0.00 C ATOM 562 OG1 THR A 39 -5.526 1.885 -7.854 1.00 0.00 O ATOM 563 CG2 THR A 39 -5.239 1.846 -5.460 1.00 0.00 C ATOM 0 H THR A 39 -4.054 0.496 -9.032 1.00 0.00 H new ATOM 0 HA THR A 39 -2.854 1.674 -6.808 1.00 0.00 H new ATOM 0 HB THR A 39 -5.484 0.139 -6.727 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.249 2.453 -7.515 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.307 2.032 -5.346 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.887 1.236 -4.628 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.704 2.795 -5.466 1.00 0.00 H new ATOM 571 N CYS A 40 -3.206 -1.604 -6.571 1.00 0.00 N ATOM 572 CA CYS A 40 -3.090 -2.830 -5.759 1.00 0.00 C ATOM 573 C CYS A 40 -2.204 -3.861 -6.484 1.00 0.00 C ATOM 574 O CYS A 40 -2.121 -3.836 -7.723 1.00 0.00 O ATOM 575 CB CYS A 40 -4.507 -3.420 -5.539 1.00 0.00 C ATOM 576 SG CYS A 40 -5.839 -2.184 -5.447 1.00 0.00 S ATOM 0 H CYS A 40 -3.418 -1.786 -7.552 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.634 -2.591 -4.798 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.728 -4.112 -6.351 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.505 -4.001 -4.617 1.00 0.00 H new ATOM 0 HG CYS A 40 -6.991 -2.779 -5.545 1.00 0.00 H new ATOM 581 N ARG A 41 -1.593 -4.791 -5.717 1.00 0.00 N ATOM 582 CA ARG A 41 -0.765 -5.879 -6.288 1.00 0.00 C ATOM 583 C ARG A 41 -1.645 -6.905 -7.031 1.00 0.00 C ATOM 584 O ARG A 41 -1.233 -7.461 -8.050 1.00 0.00 O ATOM 585 CB ARG A 41 0.098 -6.579 -5.186 1.00 0.00 C ATOM 586 CG ARG A 41 -0.675 -7.425 -4.150 1.00 0.00 C ATOM 587 CD ARG A 41 0.233 -8.001 -3.044 1.00 0.00 C ATOM 588 NE ARG A 41 1.242 -8.937 -3.570 1.00 0.00 N ATOM 589 CZ ARG A 41 2.270 -9.451 -2.872 1.00 0.00 C ATOM 590 NH1 ARG A 41 2.480 -9.127 -1.598 1.00 0.00 N ATOM 591 NH2 ARG A 41 3.090 -10.304 -3.461 1.00 0.00 N ATOM 0 H ARG A 41 -1.657 -4.811 -4.699 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.080 -5.431 -7.008 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.827 -7.223 -5.679 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.659 -5.812 -4.652 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.450 -6.810 -3.693 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.179 -8.245 -4.662 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.736 -7.183 -2.529 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.382 -8.513 -2.304 1.00 0.00 H new ATOM 0 HE ARG A 41 1.153 -9.219 -4.546 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.853 -8.474 -1.128 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.268 -9.532 -1.092 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.940 -10.566 -4.435 1.00 0.00 H new ATOM 0 HH22 ARG A 41 3.873 -10.700 -2.941 1.00 0.00 H new ATOM 605 N LEU A 42 -2.871 -7.111 -6.515 1.00 0.00 N ATOM 606 CA LEU A 42 -3.850 -8.055 -7.090 1.00 0.00 C ATOM 607 C LEU A 42 -4.546 -7.466 -8.335 1.00 0.00 C ATOM 608 O LEU A 42 -4.928 -8.212 -9.243 1.00 0.00 O ATOM 609 CB LEU A 42 -4.899 -8.531 -6.035 1.00 0.00 C ATOM 610 CG LEU A 42 -5.791 -7.448 -5.311 1.00 0.00 C ATOM 611 CD1 LEU A 42 -7.136 -8.065 -4.851 1.00 0.00 C ATOM 612 CD2 LEU A 42 -5.075 -6.814 -4.092 1.00 0.00 C ATOM 0 H LEU A 42 -3.212 -6.626 -5.685 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.287 -8.933 -7.406 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.569 -9.234 -6.529 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.364 -9.087 -5.265 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.977 -6.660 -6.041 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.735 -7.302 -4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.677 -8.445 -5.718 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.943 -8.883 -4.157 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.730 -6.076 -3.629 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.834 -7.591 -3.367 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.157 -6.328 -4.422 1.00 0.00 H new ATOM 624 N CYS A 43 -4.692 -6.124 -8.379 1.00 0.00 N ATOM 625 CA CYS A 43 -5.232 -5.421 -9.573 1.00 0.00 C ATOM 626 C CYS A 43 -4.199 -5.412 -10.721 1.00 0.00 C ATOM 627 O CYS A 43 -4.568 -5.343 -11.894 1.00 0.00 O ATOM 628 CB CYS A 43 -5.727 -3.994 -9.212 1.00 0.00 C ATOM 629 SG CYS A 43 -7.424 -3.969 -8.529 1.00 0.00 S ATOM 0 H CYS A 43 -4.446 -5.504 -7.607 1.00 0.00 H new ATOM 0 HA CYS A 43 -6.102 -5.972 -9.929 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -5.044 -3.553 -8.486 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -5.692 -3.368 -10.104 1.00 0.00 H new ATOM 0 HG CYS A 43 -7.693 -2.779 -8.079 1.00 0.00 H new ATOM 634 N HIS A 44 -2.905 -5.483 -10.361 1.00 0.00 N ATOM 635 CA HIS A 44 -1.816 -5.761 -11.317 1.00 0.00 C ATOM 636 C HIS A 44 -1.912 -7.212 -11.804 1.00 0.00 C ATOM 637 O HIS A 44 -1.949 -7.472 -13.004 1.00 0.00 O ATOM 638 CB HIS A 44 -0.444 -5.487 -10.637 1.00 0.00 C ATOM 639 CG HIS A 44 0.763 -6.087 -11.327 1.00 0.00 C ATOM 640 ND1 HIS A 44 1.110 -7.413 -11.182 1.00 0.00 N ATOM 641 CD2 HIS A 44 1.741 -5.530 -12.109 1.00 0.00 C ATOM 642 CE1 HIS A 44 2.239 -7.621 -11.848 1.00 0.00 C ATOM 643 NE2 HIS A 44 2.673 -6.526 -12.425 1.00 0.00 N ATOM 0 H HIS A 44 -2.584 -5.350 -9.402 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.908 -5.105 -12.183 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.302 -4.408 -10.569 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.483 -5.868 -9.616 1.00 0.00 H new ATOM 0 HD2 HIS A 44 1.785 -4.499 -12.427 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.740 -8.576 -11.908 1.00 0.00 H new ATOM 0 HE2 HIS A 44 3.517 -6.421 -12.989 1.00 0.00 H new ATOM 651 N ASP A 45 -2.007 -8.128 -10.827 1.00 0.00 N ATOM 652 CA ASP A 45 -1.932 -9.589 -11.034 1.00 0.00 C ATOM 653 C ASP A 45 -3.036 -10.094 -11.986 1.00 0.00 C ATOM 654 O ASP A 45 -2.840 -11.066 -12.715 1.00 0.00 O ATOM 655 CB ASP A 45 -2.038 -10.294 -9.654 1.00 0.00 C ATOM 656 CG ASP A 45 -1.613 -11.769 -9.679 1.00 0.00 C ATOM 657 OD1 ASP A 45 -2.464 -12.654 -9.922 1.00 0.00 O ATOM 658 OD2 ASP A 45 -0.409 -12.049 -9.461 1.00 0.00 O ATOM 0 H ASP A 45 -2.141 -7.871 -9.849 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.978 -9.826 -11.504 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.418 -9.759 -8.934 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.067 -10.228 -9.300 1.00 0.00 H new ATOM 663 N ASN A 46 -4.191 -9.407 -11.958 1.00 0.00 N ATOM 664 CA ASN A 46 -5.353 -9.728 -12.809 1.00 0.00 C ATOM 665 C ASN A 46 -5.043 -9.534 -14.308 1.00 0.00 C ATOM 666 O ASN A 46 -5.445 -10.351 -15.143 1.00 0.00 O ATOM 667 CB ASN A 46 -6.559 -8.847 -12.401 1.00 0.00 C ATOM 668 CG ASN A 46 -7.840 -9.159 -13.188 1.00 0.00 C ATOM 669 OD1 ASN A 46 -8.418 -8.282 -13.830 1.00 0.00 O ATOM 670 ND2 ASN A 46 -8.301 -10.405 -13.131 1.00 0.00 N ATOM 0 H ASN A 46 -4.347 -8.609 -11.342 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.595 -10.780 -12.658 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.754 -8.982 -11.337 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.299 -7.799 -12.547 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -9.156 -10.656 -13.628 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.800 -11.110 -12.591 1.00 0.00 H new ATOM 677 N ASN A 47 -4.323 -8.447 -14.627 1.00 0.00 N ATOM 678 CA ASN A 47 -3.994 -8.074 -16.023 1.00 0.00 C ATOM 679 C ASN A 47 -2.695 -8.748 -16.490 1.00 0.00 C ATOM 680 O ASN A 47 -2.516 -9.010 -17.683 1.00 0.00 O ATOM 681 CB ASN A 47 -3.872 -6.533 -16.163 1.00 0.00 C ATOM 682 CG ASN A 47 -5.182 -5.805 -15.846 1.00 0.00 C ATOM 683 OD1 ASN A 47 -6.034 -5.630 -16.717 1.00 0.00 O ATOM 684 ND2 ASN A 47 -5.354 -5.371 -14.607 1.00 0.00 N ATOM 0 H ASN A 47 -3.951 -7.800 -13.932 1.00 0.00 H new ATOM 0 HA ASN A 47 -4.808 -8.424 -16.658 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -3.090 -6.172 -15.495 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -3.562 -6.288 -17.179 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -6.210 -4.877 -14.354 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -4.631 -5.530 -13.906 1.00 0.00 H new ATOM 691 N GLU A 48 -1.796 -9.025 -15.539 1.00 0.00 N ATOM 692 CA GLU A 48 -0.440 -9.521 -15.830 1.00 0.00 C ATOM 693 C GLU A 48 -0.341 -11.031 -15.611 1.00 0.00 C ATOM 694 O GLU A 48 -1.052 -11.598 -14.780 1.00 0.00 O ATOM 695 CB GLU A 48 0.584 -8.785 -14.934 1.00 0.00 C ATOM 696 CG GLU A 48 0.530 -7.247 -15.030 1.00 0.00 C ATOM 697 CD GLU A 48 0.897 -6.688 -16.410 1.00 0.00 C ATOM 698 OE1 GLU A 48 2.096 -6.414 -16.646 1.00 0.00 O ATOM 699 OE2 GLU A 48 -0.004 -6.512 -17.263 1.00 0.00 O ATOM 0 H GLU A 48 -1.985 -8.912 -14.543 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.219 -9.321 -16.879 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.417 -9.078 -13.897 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.587 -9.118 -15.201 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.475 -6.913 -14.771 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.207 -6.824 -14.288 1.00 0.00 H new ATOM 706 N ASP A 49 0.570 -11.663 -16.359 1.00 0.00 N ATOM 707 CA ASP A 49 0.855 -13.110 -16.248 1.00 0.00 C ATOM 708 C ASP A 49 1.708 -13.398 -14.994 1.00 0.00 C ATOM 709 O ASP A 49 1.741 -14.527 -14.497 1.00 0.00 O ATOM 710 CB ASP A 49 1.593 -13.606 -17.524 1.00 0.00 C ATOM 711 CG ASP A 49 3.040 -13.079 -17.639 1.00 0.00 C ATOM 712 OD1 ASP A 49 3.223 -11.876 -17.900 1.00 0.00 O ATOM 713 OD2 ASP A 49 3.997 -13.856 -17.450 1.00 0.00 O ATOM 0 H ASP A 49 1.136 -11.189 -17.063 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.090 -13.645 -16.154 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.610 -14.696 -17.524 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.030 -13.296 -18.404 1.00 0.00 H new ATOM 718 N HIS A 50 2.380 -12.345 -14.498 1.00 0.00 N ATOM 719 CA HIS A 50 3.316 -12.415 -13.362 1.00 0.00 C ATOM 720 C HIS A 50 2.777 -11.590 -12.163 1.00 0.00 C ATOM 721 O HIS A 50 1.798 -10.841 -12.304 1.00 0.00 O ATOM 722 CB HIS A 50 4.709 -11.910 -13.830 1.00 0.00 C ATOM 723 CG HIS A 50 4.718 -10.473 -14.297 1.00 0.00 C ATOM 724 ND1 HIS A 50 4.211 -10.044 -15.503 1.00 0.00 N ATOM 725 CD2 HIS A 50 5.128 -9.354 -13.654 1.00 0.00 C ATOM 726 CE1 HIS A 50 4.319 -8.705 -15.542 1.00 0.00 C ATOM 727 NE2 HIS A 50 4.868 -8.229 -14.432 1.00 0.00 N ATOM 0 H HIS A 50 2.286 -11.405 -14.882 1.00 0.00 H new ATOM 0 HA HIS A 50 3.414 -13.445 -13.021 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.418 -12.019 -13.009 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.061 -12.547 -14.641 1.00 0.00 H new ATOM 0 HD1 HIS A 50 3.823 -10.637 -16.236 1.00 0.00 H new ATOM 0 HD2 HIS A 50 5.590 -9.337 -12.678 1.00 0.00 H new ATOM 0 HE1 HIS A 50 3.999 -8.093 -16.373 1.00 0.00 H new ATOM 735 N GLN A 51 3.441 -11.715 -10.996 1.00 0.00 N ATOM 736 CA GLN A 51 2.979 -11.113 -9.717 1.00 0.00 C ATOM 737 C GLN A 51 3.641 -9.741 -9.434 1.00 0.00 C ATOM 738 O GLN A 51 4.765 -9.465 -9.879 1.00 0.00 O ATOM 739 CB GLN A 51 3.245 -12.061 -8.515 1.00 0.00 C ATOM 740 CG GLN A 51 4.737 -12.294 -8.178 1.00 0.00 C ATOM 741 CD GLN A 51 4.958 -12.949 -6.809 1.00 0.00 C ATOM 742 OE1 GLN A 51 5.015 -14.175 -6.683 1.00 0.00 O ATOM 743 NE2 GLN A 51 5.067 -12.129 -5.769 1.00 0.00 N ATOM 0 H GLN A 51 4.314 -12.235 -10.908 1.00 0.00 H new ATOM 0 HA GLN A 51 1.906 -10.960 -9.831 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.749 -11.653 -7.634 1.00 0.00 H new ATOM 0 HB3 GLN A 51 2.781 -13.025 -8.724 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.182 -12.923 -8.949 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.261 -11.339 -8.204 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.016 -11.120 -5.908 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.202 -12.509 -4.832 1.00 0.00 H new ATOM 752 N LEU A 52 2.889 -8.865 -8.748 1.00 0.00 N ATOM 753 CA LEU A 52 3.440 -7.666 -8.083 1.00 0.00 C ATOM 754 C LEU A 52 3.632 -8.019 -6.604 1.00 0.00 C ATOM 755 O LEU A 52 2.778 -8.683 -6.009 1.00 0.00 O ATOM 756 CB LEU A 52 2.482 -6.436 -8.257 1.00 0.00 C ATOM 757 CG LEU A 52 3.014 -4.998 -7.854 1.00 0.00 C ATOM 758 CD1 LEU A 52 2.197 -3.884 -8.546 1.00 0.00 C ATOM 759 CD2 LEU A 52 3.015 -4.747 -6.326 1.00 0.00 C ATOM 0 H LEU A 52 1.880 -8.966 -8.637 1.00 0.00 H new ATOM 0 HA LEU A 52 4.392 -7.380 -8.531 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.181 -6.396 -9.304 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.582 -6.632 -7.674 1.00 0.00 H new ATOM 0 HG LEU A 52 4.049 -4.969 -8.195 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.586 -2.910 -8.250 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.277 -3.993 -9.628 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.151 -3.962 -8.250 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.391 -3.744 -6.122 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.999 -4.839 -5.942 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.656 -5.481 -5.837 1.00 0.00 H new ATOM 771 N ASP A 53 4.757 -7.594 -6.019 1.00 0.00 N ATOM 772 CA ASP A 53 4.994 -7.713 -4.570 1.00 0.00 C ATOM 773 C ASP A 53 5.259 -6.326 -3.972 1.00 0.00 C ATOM 774 O ASP A 53 5.906 -5.473 -4.594 1.00 0.00 O ATOM 775 CB ASP A 53 6.144 -8.702 -4.269 1.00 0.00 C ATOM 776 CG ASP A 53 6.452 -8.826 -2.764 1.00 0.00 C ATOM 777 OD1 ASP A 53 5.587 -9.333 -2.010 1.00 0.00 O ATOM 778 OD2 ASP A 53 7.542 -8.399 -2.331 1.00 0.00 O ATOM 0 H ASP A 53 5.526 -7.160 -6.529 1.00 0.00 H new ATOM 0 HA ASP A 53 4.101 -8.122 -4.098 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.884 -9.684 -4.663 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.043 -8.376 -4.793 1.00 0.00 H new ATOM 783 N ARG A 54 4.757 -6.134 -2.745 1.00 0.00 N ATOM 784 CA ARG A 54 4.741 -4.830 -2.045 1.00 0.00 C ATOM 785 C ARG A 54 6.122 -4.431 -1.474 1.00 0.00 C ATOM 786 O ARG A 54 6.239 -3.405 -0.798 1.00 0.00 O ATOM 787 CB ARG A 54 3.650 -4.854 -0.936 1.00 0.00 C ATOM 788 CG ARG A 54 3.724 -6.068 0.020 1.00 0.00 C ATOM 789 CD ARG A 54 2.629 -6.042 1.107 1.00 0.00 C ATOM 790 NE ARG A 54 2.494 -7.343 1.804 1.00 0.00 N ATOM 791 CZ ARG A 54 3.279 -7.791 2.797 1.00 0.00 C ATOM 792 NH1 ARG A 54 4.280 -7.064 3.259 1.00 0.00 N ATOM 793 NH2 ARG A 54 3.042 -8.972 3.344 1.00 0.00 N ATOM 0 H ARG A 54 4.343 -6.888 -2.197 1.00 0.00 H new ATOM 0 HA ARG A 54 4.497 -4.061 -2.778 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.730 -3.940 -0.347 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.669 -4.842 -1.411 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.632 -6.987 -0.559 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.703 -6.089 0.498 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.862 -5.265 1.835 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.675 -5.776 0.652 1.00 0.00 H new ATOM 0 HE ARG A 54 1.735 -7.954 1.502 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.468 -6.144 2.861 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.865 -7.422 4.014 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.264 -9.541 3.011 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.638 -9.313 4.098 1.00 0.00 H new ATOM 807 N PHE A 55 7.153 -5.257 -1.724 1.00 0.00 N ATOM 808 CA PHE A 55 8.562 -4.908 -1.439 1.00 0.00 C ATOM 809 C PHE A 55 9.329 -4.647 -2.749 1.00 0.00 C ATOM 810 O PHE A 55 10.364 -3.974 -2.732 1.00 0.00 O ATOM 811 CB PHE A 55 9.255 -6.032 -0.631 1.00 0.00 C ATOM 812 CG PHE A 55 8.631 -6.287 0.740 1.00 0.00 C ATOM 813 CD1 PHE A 55 8.988 -5.513 1.844 1.00 0.00 C ATOM 814 CD2 PHE A 55 7.690 -7.300 0.924 1.00 0.00 C ATOM 815 CE1 PHE A 55 8.428 -5.746 3.085 1.00 0.00 C ATOM 816 CE2 PHE A 55 7.135 -7.533 2.165 1.00 0.00 C ATOM 817 CZ PHE A 55 7.502 -6.756 3.246 1.00 0.00 C ATOM 0 H PHE A 55 7.036 -6.186 -2.129 1.00 0.00 H new ATOM 0 HA PHE A 55 8.570 -3.997 -0.840 1.00 0.00 H new ATOM 0 HB2 PHE A 55 9.223 -6.955 -1.211 1.00 0.00 H new ATOM 0 HB3 PHE A 55 10.306 -5.775 -0.498 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.712 -4.721 1.727 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.392 -7.910 0.084 1.00 0.00 H new ATOM 0 HE1 PHE A 55 8.715 -5.137 3.930 1.00 0.00 H new ATOM 0 HE2 PHE A 55 6.412 -8.325 2.292 1.00 0.00 H new ATOM 0 HZ PHE A 55 7.065 -6.939 4.216 1.00 0.00 H new ATOM 827 N LYS A 56 8.816 -5.186 -3.881 1.00 0.00 N ATOM 828 CA LYS A 56 9.476 -5.047 -5.201 1.00 0.00 C ATOM 829 C LYS A 56 9.242 -3.656 -5.809 1.00 0.00 C ATOM 830 O LYS A 56 10.131 -3.128 -6.481 1.00 0.00 O ATOM 831 CB LYS A 56 8.985 -6.138 -6.196 1.00 0.00 C ATOM 832 CG LYS A 56 9.280 -7.594 -5.763 1.00 0.00 C ATOM 833 CD LYS A 56 10.786 -7.910 -5.601 1.00 0.00 C ATOM 834 CE LYS A 56 11.584 -7.739 -6.904 1.00 0.00 C ATOM 835 NZ LYS A 56 12.999 -8.173 -6.750 1.00 0.00 N ATOM 0 H LYS A 56 7.948 -5.721 -3.906 1.00 0.00 H new ATOM 0 HA LYS A 56 10.545 -5.177 -5.032 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.910 -6.026 -6.334 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.451 -5.961 -7.166 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.774 -7.790 -4.818 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.854 -8.275 -6.500 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.207 -7.258 -4.836 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.900 -8.934 -5.245 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.111 -8.318 -7.698 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.556 -6.694 -7.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.502 -8.042 -7.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.458 -7.604 -6.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.027 -9.177 -6.481 1.00 0.00 H new ATOM 849 N VAL A 57 8.053 -3.066 -5.562 1.00 0.00 N ATOM 850 CA VAL A 57 7.732 -1.702 -6.042 1.00 0.00 C ATOM 851 C VAL A 57 8.628 -0.657 -5.357 1.00 0.00 C ATOM 852 O VAL A 57 8.986 -0.807 -4.189 1.00 0.00 O ATOM 853 CB VAL A 57 6.205 -1.323 -5.876 1.00 0.00 C ATOM 854 CG1 VAL A 57 5.340 -2.030 -6.935 1.00 0.00 C ATOM 855 CG2 VAL A 57 5.688 -1.636 -4.455 1.00 0.00 C ATOM 0 H VAL A 57 7.301 -3.510 -5.035 1.00 0.00 H new ATOM 0 HA VAL A 57 7.935 -1.700 -7.113 1.00 0.00 H new ATOM 0 HB VAL A 57 6.123 -0.247 -6.028 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.295 -1.751 -6.797 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.667 -1.731 -7.931 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.444 -3.110 -6.828 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.636 -1.361 -4.382 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.800 -2.701 -4.254 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.263 -1.066 -3.725 1.00 0.00 H new ATOM 865 N LYS A 58 9.017 0.368 -6.121 1.00 0.00 N ATOM 866 CA LYS A 58 9.926 1.434 -5.660 1.00 0.00 C ATOM 867 C LYS A 58 9.281 2.799 -5.898 1.00 0.00 C ATOM 868 O LYS A 58 9.387 3.707 -5.068 1.00 0.00 O ATOM 869 CB LYS A 58 11.288 1.340 -6.411 1.00 0.00 C ATOM 870 CG LYS A 58 12.315 2.460 -6.077 1.00 0.00 C ATOM 871 CD LYS A 58 12.736 2.494 -4.585 1.00 0.00 C ATOM 872 CE LYS A 58 13.506 1.236 -4.147 1.00 0.00 C ATOM 873 NZ LYS A 58 13.918 1.306 -2.719 1.00 0.00 N ATOM 0 H LYS A 58 8.710 0.487 -7.086 1.00 0.00 H new ATOM 0 HA LYS A 58 10.110 1.310 -4.593 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.742 0.375 -6.185 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.094 1.357 -7.483 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.203 2.322 -6.693 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.887 3.426 -6.347 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.357 3.373 -4.409 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.846 2.603 -3.965 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.882 0.356 -4.302 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.389 1.114 -4.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.434 0.440 -2.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.535 2.131 -2.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.074 1.396 -2.118 1.00 0.00 H new ATOM 887 N GLU A 59 8.624 2.931 -7.056 1.00 0.00 N ATOM 888 CA GLU A 59 7.972 4.175 -7.473 1.00 0.00 C ATOM 889 C GLU A 59 6.457 4.071 -7.361 1.00 0.00 C ATOM 890 O GLU A 59 5.892 2.982 -7.177 1.00 0.00 O ATOM 891 CB GLU A 59 8.378 4.529 -8.924 1.00 0.00 C ATOM 892 CG GLU A 59 9.837 4.977 -9.065 1.00 0.00 C ATOM 893 CD GLU A 59 10.192 5.436 -10.490 1.00 0.00 C ATOM 894 OE1 GLU A 59 10.285 4.578 -11.396 1.00 0.00 O ATOM 895 OE2 GLU A 59 10.379 6.655 -10.711 1.00 0.00 O ATOM 0 H GLU A 59 8.530 2.173 -7.733 1.00 0.00 H new ATOM 0 HA GLU A 59 8.304 4.970 -6.805 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.211 3.660 -9.561 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.727 5.322 -9.291 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.029 5.793 -8.368 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.493 4.154 -8.781 1.00 0.00 H new ATOM 902 N VAL A 60 5.825 5.242 -7.492 1.00 0.00 N ATOM 903 CA VAL A 60 4.367 5.421 -7.535 1.00 0.00 C ATOM 904 C VAL A 60 4.054 6.603 -8.473 1.00 0.00 C ATOM 905 O VAL A 60 4.928 7.430 -8.756 1.00 0.00 O ATOM 906 CB VAL A 60 3.713 5.702 -6.110 1.00 0.00 C ATOM 907 CG1 VAL A 60 3.858 4.501 -5.142 1.00 0.00 C ATOM 908 CG2 VAL A 60 4.262 7.005 -5.463 1.00 0.00 C ATOM 0 H VAL A 60 6.331 6.124 -7.574 1.00 0.00 H new ATOM 0 HA VAL A 60 3.936 4.486 -7.894 1.00 0.00 H new ATOM 0 HB VAL A 60 2.648 5.843 -6.292 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.395 4.746 -4.186 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.366 3.627 -5.570 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.915 4.283 -4.988 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.789 7.157 -4.493 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.341 6.919 -5.331 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.042 7.854 -6.111 1.00 0.00 H new ATOM 918 N GLN A 61 2.819 6.685 -8.963 1.00 0.00 N ATOM 919 CA GLN A 61 2.337 7.878 -9.684 1.00 0.00 C ATOM 920 C GLN A 61 1.281 8.590 -8.839 1.00 0.00 C ATOM 921 O GLN A 61 0.839 8.073 -7.823 1.00 0.00 O ATOM 922 CB GLN A 61 1.821 7.510 -11.112 1.00 0.00 C ATOM 923 CG GLN A 61 0.567 6.635 -11.224 1.00 0.00 C ATOM 924 CD GLN A 61 -0.747 7.399 -11.124 1.00 0.00 C ATOM 925 OE1 GLN A 61 -1.309 7.515 -10.045 1.00 0.00 O ATOM 926 NE2 GLN A 61 -1.220 7.947 -12.239 1.00 0.00 N ATOM 0 H GLN A 61 2.126 5.941 -8.877 1.00 0.00 H new ATOM 0 HA GLN A 61 3.166 8.569 -9.836 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.627 8.440 -11.646 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.630 7.003 -11.638 1.00 0.00 H new ATOM 0 HG2 GLN A 61 0.593 6.105 -12.176 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.595 5.880 -10.438 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.719 7.826 -13.119 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -2.084 8.489 -12.214 1.00 0.00 H new ATOM 935 N CYS A 62 0.912 9.791 -9.256 1.00 0.00 N ATOM 936 CA CYS A 62 -0.180 10.576 -8.657 1.00 0.00 C ATOM 937 C CYS A 62 -1.349 10.590 -9.628 1.00 0.00 C ATOM 938 O CYS A 62 -1.197 11.132 -10.701 1.00 0.00 O ATOM 939 CB CYS A 62 0.343 11.996 -8.411 1.00 0.00 C ATOM 940 SG CYS A 62 -0.895 13.317 -8.283 1.00 0.00 S ATOM 0 H CYS A 62 1.367 10.266 -10.036 1.00 0.00 H new ATOM 0 HA CYS A 62 -0.515 10.147 -7.713 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.927 11.988 -7.490 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.028 12.250 -9.220 1.00 0.00 H new ATOM 0 HG CYS A 62 -0.859 14.050 -9.356 1.00 0.00 H new ATOM 945 N ILE A 63 -2.503 9.981 -9.271 1.00 0.00 N ATOM 946 CA ILE A 63 -3.636 9.802 -10.225 1.00 0.00 C ATOM 947 C ILE A 63 -4.205 11.178 -10.638 1.00 0.00 C ATOM 948 O ILE A 63 -4.752 11.350 -11.735 1.00 0.00 O ATOM 949 CB ILE A 63 -4.785 8.874 -9.647 1.00 0.00 C ATOM 950 CG1 ILE A 63 -4.191 7.675 -8.840 1.00 0.00 C ATOM 951 CG2 ILE A 63 -5.668 8.327 -10.796 1.00 0.00 C ATOM 952 CD1 ILE A 63 -5.206 6.754 -8.179 1.00 0.00 C ATOM 0 H ILE A 63 -2.679 9.606 -8.339 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.238 9.294 -11.104 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.392 9.482 -8.977 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.572 7.080 -9.512 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.532 8.072 -8.068 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.451 7.692 -10.382 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.122 9.159 -11.334 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.053 7.744 -11.482 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.684 5.959 -7.647 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.811 7.325 -7.475 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.852 6.318 -8.941 1.00 0.00 H new ATOM 964 N ASN A 64 -4.004 12.158 -9.744 1.00 0.00 N ATOM 965 CA ASN A 64 -4.380 13.559 -9.951 1.00 0.00 C ATOM 966 C ASN A 64 -3.213 14.342 -10.617 1.00 0.00 C ATOM 967 O ASN A 64 -2.540 15.141 -9.958 1.00 0.00 O ATOM 968 CB ASN A 64 -4.762 14.152 -8.580 1.00 0.00 C ATOM 969 CG ASN A 64 -5.341 15.576 -8.630 1.00 0.00 C ATOM 970 OD1 ASN A 64 -6.545 15.764 -8.800 1.00 0.00 O ATOM 971 ND2 ASN A 64 -4.493 16.581 -8.481 1.00 0.00 N ATOM 0 H ASN A 64 -3.566 11.992 -8.838 1.00 0.00 H new ATOM 0 HA ASN A 64 -5.232 13.635 -10.627 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.492 13.495 -8.107 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.877 14.157 -7.943 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.832 17.543 -8.506 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.500 16.394 -8.342 1.00 0.00 H new ATOM 978 N CYS A 65 -2.910 13.925 -11.867 1.00 0.00 N ATOM 979 CA CYS A 65 -2.071 14.633 -12.902 1.00 0.00 C ATOM 980 C CYS A 65 -1.273 13.594 -13.718 1.00 0.00 C ATOM 981 O CYS A 65 -0.902 13.856 -14.866 1.00 0.00 O ATOM 982 CB CYS A 65 -1.069 15.706 -12.370 1.00 0.00 C ATOM 983 SG CYS A 65 0.291 15.055 -11.351 1.00 0.00 S ATOM 0 H CYS A 65 -3.258 13.032 -12.217 1.00 0.00 H new ATOM 0 HA CYS A 65 -2.797 15.182 -13.502 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -0.643 16.236 -13.222 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.623 16.439 -11.783 1.00 0.00 H new ATOM 0 HG CYS A 65 0.926 16.042 -10.792 1.00 0.00 H new ATOM 988 N GLU A 66 -1.005 12.435 -13.066 1.00 0.00 N ATOM 989 CA GLU A 66 -0.271 11.239 -13.617 1.00 0.00 C ATOM 990 C GLU A 66 1.267 11.360 -13.504 1.00 0.00 C ATOM 991 O GLU A 66 1.993 10.539 -14.084 1.00 0.00 O ATOM 992 CB GLU A 66 -0.682 10.868 -15.072 1.00 0.00 C ATOM 993 CG GLU A 66 -2.136 10.394 -15.247 1.00 0.00 C ATOM 994 CD GLU A 66 -2.459 10.104 -16.719 1.00 0.00 C ATOM 995 OE1 GLU A 66 -1.969 9.090 -17.258 1.00 0.00 O ATOM 996 OE2 GLU A 66 -3.165 10.901 -17.362 1.00 0.00 O ATOM 0 H GLU A 66 -1.301 12.289 -12.101 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.587 10.418 -12.974 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.522 11.738 -15.710 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.016 10.083 -15.431 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.301 9.495 -14.653 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.817 11.156 -14.867 1.00 0.00 H new ATOM 1003 N LYS A 67 1.752 12.343 -12.726 1.00 0.00 N ATOM 1004 CA LYS A 67 3.201 12.572 -12.527 1.00 0.00 C ATOM 1005 C LYS A 67 3.854 11.347 -11.836 1.00 0.00 C ATOM 1006 O LYS A 67 3.391 10.914 -10.768 1.00 0.00 O ATOM 1007 CB LYS A 67 3.407 13.892 -11.710 1.00 0.00 C ATOM 1008 CG LYS A 67 4.864 14.441 -11.622 1.00 0.00 C ATOM 1009 CD LYS A 67 5.695 13.842 -10.463 1.00 0.00 C ATOM 1010 CE LYS A 67 7.142 14.370 -10.435 1.00 0.00 C ATOM 1011 NZ LYS A 67 7.921 13.792 -9.309 1.00 0.00 N ATOM 0 H LYS A 67 1.158 12.999 -12.219 1.00 0.00 H new ATOM 0 HA LYS A 67 3.695 12.690 -13.492 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.778 14.666 -12.150 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.045 13.724 -10.696 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.375 14.239 -12.563 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.826 15.524 -11.506 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.209 14.074 -9.515 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.710 12.756 -10.556 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.634 14.131 -11.378 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.130 15.457 -10.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.726 14.413 -9.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.310 13.707 -8.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.273 12.851 -9.577 1.00 0.00 H new ATOM 1025 N ILE A 68 4.917 10.800 -12.474 1.00 0.00 N ATOM 1026 CA ILE A 68 5.690 9.656 -11.952 1.00 0.00 C ATOM 1027 C ILE A 68 6.747 10.172 -10.963 1.00 0.00 C ATOM 1028 O ILE A 68 7.461 11.140 -11.246 1.00 0.00 O ATOM 1029 CB ILE A 68 6.409 8.837 -13.106 1.00 0.00 C ATOM 1030 CG1 ILE A 68 5.375 8.257 -14.125 1.00 0.00 C ATOM 1031 CG2 ILE A 68 7.306 7.699 -12.534 1.00 0.00 C ATOM 1032 CD1 ILE A 68 4.474 7.166 -13.568 1.00 0.00 C ATOM 0 H ILE A 68 5.261 11.145 -13.370 1.00 0.00 H new ATOM 0 HA ILE A 68 4.991 8.982 -11.457 1.00 0.00 H new ATOM 0 HB ILE A 68 7.054 9.538 -13.636 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.751 9.072 -14.492 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.916 7.859 -14.983 1.00 0.00 H new ATOM 0 HG21 ILE A 68 7.780 7.162 -13.355 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.073 8.129 -11.890 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.693 7.008 -11.955 1.00 0.00 H new ATOM 0 HD11 ILE A 68 3.791 6.826 -14.346 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.084 6.329 -13.229 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.901 7.561 -12.729 1.00 0.00 H new ATOM 1044 N GLN A 69 6.834 9.506 -9.818 1.00 0.00 N ATOM 1045 CA GLN A 69 7.738 9.863 -8.721 1.00 0.00 C ATOM 1046 C GLN A 69 8.116 8.596 -7.954 1.00 0.00 C ATOM 1047 O GLN A 69 7.588 7.523 -8.226 1.00 0.00 O ATOM 1048 CB GLN A 69 7.053 10.898 -7.786 1.00 0.00 C ATOM 1049 CG GLN A 69 5.730 10.417 -7.157 1.00 0.00 C ATOM 1050 CD GLN A 69 5.037 11.502 -6.338 1.00 0.00 C ATOM 1051 OE1 GLN A 69 4.214 12.259 -6.860 1.00 0.00 O ATOM 1052 NE2 GLN A 69 5.371 11.590 -5.055 1.00 0.00 N ATOM 0 H GLN A 69 6.266 8.683 -9.617 1.00 0.00 H new ATOM 0 HA GLN A 69 8.645 10.318 -9.118 1.00 0.00 H new ATOM 0 HB2 GLN A 69 7.746 11.160 -6.987 1.00 0.00 H new ATOM 0 HB3 GLN A 69 6.861 11.809 -8.353 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.059 10.080 -7.947 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.928 9.556 -6.518 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.056 10.945 -4.661 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.942 12.302 -4.464 1.00 0.00 H new ATOM 1061 N HIS A 70 9.065 8.715 -7.028 1.00 0.00 N ATOM 1062 CA HIS A 70 9.398 7.628 -6.092 1.00 0.00 C ATOM 1063 C HIS A 70 8.317 7.528 -4.997 1.00 0.00 C ATOM 1064 O HIS A 70 7.523 8.468 -4.816 1.00 0.00 O ATOM 1065 CB HIS A 70 10.795 7.864 -5.489 1.00 0.00 C ATOM 1066 CG HIS A 70 11.876 7.989 -6.534 1.00 0.00 C ATOM 1067 ND1 HIS A 70 12.379 9.202 -6.962 1.00 0.00 N ATOM 1068 CD2 HIS A 70 12.520 7.046 -7.266 1.00 0.00 C ATOM 1069 CE1 HIS A 70 13.277 8.997 -7.903 1.00 0.00 C ATOM 1070 NE2 HIS A 70 13.382 7.702 -8.104 1.00 0.00 N ATOM 0 H HIS A 70 9.625 9.558 -6.900 1.00 0.00 H new ATOM 0 HA HIS A 70 9.421 6.679 -6.627 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.775 8.771 -4.885 1.00 0.00 H new ATOM 0 HB3 HIS A 70 11.039 7.040 -4.819 1.00 0.00 H new ATOM 0 HD2 HIS A 70 12.379 5.977 -7.200 1.00 0.00 H new ATOM 0 HE1 HIS A 70 13.833 9.763 -8.422 1.00 0.00 H new ATOM 0 HE2 HIS A 70 14.006 7.257 -8.777 1.00 0.00 H new ATOM 1079 N ALA A 71 8.285 6.383 -4.282 1.00 0.00 N ATOM 1080 CA ALA A 71 7.257 6.102 -3.265 1.00 0.00 C ATOM 1081 C ALA A 71 7.315 7.134 -2.113 1.00 0.00 C ATOM 1082 O ALA A 71 8.154 7.034 -1.220 1.00 0.00 O ATOM 1083 CB ALA A 71 7.393 4.660 -2.740 1.00 0.00 C ATOM 0 H ALA A 71 8.968 5.634 -4.395 1.00 0.00 H new ATOM 0 HA ALA A 71 6.278 6.195 -3.734 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.625 4.472 -1.990 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.273 3.959 -3.566 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.378 4.527 -2.292 1.00 0.00 H new ATOM 1089 N GLN A 72 6.432 8.138 -2.190 1.00 0.00 N ATOM 1090 CA GLN A 72 6.339 9.257 -1.228 1.00 0.00 C ATOM 1091 C GLN A 72 4.848 9.489 -0.894 1.00 0.00 C ATOM 1092 O GLN A 72 3.985 8.981 -1.607 1.00 0.00 O ATOM 1093 CB GLN A 72 7.013 10.520 -1.856 1.00 0.00 C ATOM 1094 CG GLN A 72 7.138 11.737 -0.917 1.00 0.00 C ATOM 1095 CD GLN A 72 7.988 12.879 -1.496 1.00 0.00 C ATOM 1096 OE1 GLN A 72 9.207 12.913 -1.311 1.00 0.00 O ATOM 1097 NE2 GLN A 72 7.360 13.816 -2.190 1.00 0.00 N ATOM 0 H GLN A 72 5.743 8.201 -2.940 1.00 0.00 H new ATOM 0 HA GLN A 72 6.862 9.033 -0.298 1.00 0.00 H new ATOM 0 HB2 GLN A 72 8.009 10.245 -2.202 1.00 0.00 H new ATOM 0 HB3 GLN A 72 6.441 10.817 -2.735 1.00 0.00 H new ATOM 0 HG2 GLN A 72 6.141 12.116 -0.693 1.00 0.00 H new ATOM 0 HG3 GLN A 72 7.576 11.413 0.027 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.351 13.760 -2.326 1.00 0.00 H new ATOM 0 HE22 GLN A 72 7.886 14.594 -2.589 1.00 0.00 H new ATOM 1106 N GLN A 73 4.547 10.222 0.201 1.00 0.00 N ATOM 1107 CA GLN A 73 3.150 10.447 0.656 1.00 0.00 C ATOM 1108 C GLN A 73 2.427 11.539 -0.167 1.00 0.00 C ATOM 1109 O GLN A 73 1.199 11.515 -0.291 1.00 0.00 O ATOM 1110 CB GLN A 73 3.122 10.790 2.175 1.00 0.00 C ATOM 1111 CG GLN A 73 1.716 11.019 2.820 1.00 0.00 C ATOM 1112 CD GLN A 73 0.753 9.810 2.765 1.00 0.00 C ATOM 1113 OE1 GLN A 73 0.712 9.047 1.802 1.00 0.00 O ATOM 1114 NE2 GLN A 73 0.006 9.596 3.838 1.00 0.00 N ATOM 0 H GLN A 73 5.251 10.669 0.789 1.00 0.00 H new ATOM 0 HA GLN A 73 2.605 9.518 0.492 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.616 9.982 2.715 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.718 11.689 2.331 1.00 0.00 H new ATOM 0 HG2 GLN A 73 1.856 11.303 3.863 1.00 0.00 H new ATOM 0 HG3 GLN A 73 1.240 11.863 2.321 1.00 0.00 H new ATOM 0 HE21 GLN A 73 0.052 10.239 4.628 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -0.615 8.788 3.874 1.00 0.00 H new ATOM 1123 N THR A 74 3.179 12.502 -0.731 1.00 0.00 N ATOM 1124 CA THR A 74 2.585 13.621 -1.494 1.00 0.00 C ATOM 1125 C THR A 74 3.297 13.828 -2.842 1.00 0.00 C ATOM 1126 O THR A 74 4.512 13.660 -2.953 1.00 0.00 O ATOM 1127 CB THR A 74 2.622 14.958 -0.669 1.00 0.00 C ATOM 1128 OG1 THR A 74 2.046 14.737 0.630 1.00 0.00 O ATOM 1129 CG2 THR A 74 1.857 16.101 -1.356 1.00 0.00 C ATOM 0 H THR A 74 4.197 12.530 -0.674 1.00 0.00 H new ATOM 0 HA THR A 74 1.546 13.353 -1.687 1.00 0.00 H new ATOM 0 HB THR A 74 3.668 15.254 -0.591 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.071 15.570 1.145 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.916 16.999 -0.742 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.299 16.299 -2.332 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.813 15.816 -1.482 1.00 0.00 H new ATOM 1137 N CYS A 75 2.495 14.153 -3.863 1.00 0.00 N ATOM 1138 CA CYS A 75 2.968 14.689 -5.144 1.00 0.00 C ATOM 1139 C CYS A 75 3.499 16.098 -4.912 1.00 0.00 C ATOM 1140 O CYS A 75 2.720 17.030 -4.766 1.00 0.00 O ATOM 1141 CB CYS A 75 1.790 14.710 -6.136 1.00 0.00 C ATOM 1142 SG CYS A 75 2.066 15.382 -7.818 1.00 0.00 S ATOM 0 H CYS A 75 1.481 14.049 -3.821 1.00 0.00 H new ATOM 0 HA CYS A 75 3.765 14.070 -5.556 1.00 0.00 H new ATOM 0 HB2 CYS A 75 1.431 13.687 -6.244 1.00 0.00 H new ATOM 0 HB3 CYS A 75 0.984 15.284 -5.679 1.00 0.00 H new ATOM 0 HG CYS A 75 1.007 16.028 -8.206 1.00 0.00 H new ATOM 1147 N GLU A 76 4.822 16.213 -4.802 1.00 0.00 N ATOM 1148 CA GLU A 76 5.545 17.499 -4.673 1.00 0.00 C ATOM 1149 C GLU A 76 5.146 18.504 -5.791 1.00 0.00 C ATOM 1150 O GLU A 76 5.183 19.721 -5.594 1.00 0.00 O ATOM 1151 CB GLU A 76 7.083 17.237 -4.691 1.00 0.00 C ATOM 1152 CG GLU A 76 7.662 16.664 -6.017 1.00 0.00 C ATOM 1153 CD GLU A 76 7.171 15.242 -6.377 1.00 0.00 C ATOM 1154 OE1 GLU A 76 7.741 14.256 -5.863 1.00 0.00 O ATOM 1155 OE2 GLU A 76 6.209 15.103 -7.171 1.00 0.00 O ATOM 0 H GLU A 76 5.443 15.404 -4.799 1.00 0.00 H new ATOM 0 HA GLU A 76 5.265 17.953 -3.722 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.594 18.174 -4.470 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.323 16.545 -3.884 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.403 17.340 -6.832 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.750 16.651 -5.947 1.00 0.00 H new ATOM 1162 N GLU A 77 4.752 17.949 -6.949 1.00 0.00 N ATOM 1163 CA GLU A 77 4.333 18.698 -8.140 1.00 0.00 C ATOM 1164 C GLU A 77 2.971 19.434 -7.925 1.00 0.00 C ATOM 1165 O GLU A 77 2.945 20.668 -7.975 1.00 0.00 O ATOM 1166 CB GLU A 77 4.337 17.703 -9.345 1.00 0.00 C ATOM 1167 CG GLU A 77 3.880 18.253 -10.731 1.00 0.00 C ATOM 1168 CD GLU A 77 2.360 18.169 -10.968 1.00 0.00 C ATOM 1169 OE1 GLU A 77 1.724 17.231 -10.441 1.00 0.00 O ATOM 1170 OE2 GLU A 77 1.796 19.042 -11.660 1.00 0.00 O ATOM 0 H GLU A 77 4.716 16.939 -7.084 1.00 0.00 H new ATOM 0 HA GLU A 77 5.031 19.507 -8.353 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.348 17.311 -9.455 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.695 16.861 -9.088 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.194 19.293 -10.819 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.391 17.698 -11.517 1.00 0.00 H new ATOM 1177 N CYS A 78 1.850 18.696 -7.654 1.00 0.00 N ATOM 1178 CA CYS A 78 0.488 19.331 -7.532 1.00 0.00 C ATOM 1179 C CYS A 78 -0.161 19.113 -6.141 1.00 0.00 C ATOM 1180 O CYS A 78 -1.391 19.210 -6.005 1.00 0.00 O ATOM 1181 CB CYS A 78 -0.475 18.850 -8.664 1.00 0.00 C ATOM 1182 SG CYS A 78 -1.230 17.199 -8.439 1.00 0.00 S ATOM 0 H CYS A 78 1.855 17.685 -7.518 1.00 0.00 H new ATOM 0 HA CYS A 78 0.650 20.403 -7.645 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -1.277 19.582 -8.765 1.00 0.00 H new ATOM 0 HB3 CYS A 78 0.076 18.849 -9.604 1.00 0.00 H new ATOM 0 HG CYS A 78 -1.385 16.962 -7.170 1.00 0.00 H new ATOM 1187 N SER A 79 0.678 18.836 -5.115 1.00 0.00 N ATOM 1188 CA SER A 79 0.271 18.789 -3.687 1.00 0.00 C ATOM 1189 C SER A 79 -0.788 17.693 -3.391 1.00 0.00 C ATOM 1190 O SER A 79 -1.532 17.793 -2.410 1.00 0.00 O ATOM 1191 CB SER A 79 -0.205 20.192 -3.213 1.00 0.00 C ATOM 1192 OG SER A 79 0.787 21.180 -3.451 1.00 0.00 O ATOM 0 H SER A 79 1.668 18.636 -5.255 1.00 0.00 H new ATOM 0 HA SER A 79 1.153 18.508 -3.112 1.00 0.00 H new ATOM 0 HB2 SER A 79 -1.123 20.462 -3.734 1.00 0.00 H new ATOM 0 HB3 SER A 79 -0.440 20.159 -2.149 1.00 0.00 H new ATOM 0 HG SER A 79 0.460 22.052 -3.145 1.00 0.00 H new ATOM 1198 N THR A 80 -0.800 16.618 -4.208 1.00 0.00 N ATOM 1199 CA THR A 80 -1.756 15.506 -4.046 1.00 0.00 C ATOM 1200 C THR A 80 -1.371 14.631 -2.843 1.00 0.00 C ATOM 1201 O THR A 80 -0.348 13.938 -2.883 1.00 0.00 O ATOM 1202 CB THR A 80 -1.822 14.622 -5.336 1.00 0.00 C ATOM 1203 OG1 THR A 80 -2.133 15.444 -6.465 1.00 0.00 O ATOM 1204 CG2 THR A 80 -2.859 13.483 -5.240 1.00 0.00 C ATOM 0 H THR A 80 -0.155 16.498 -4.989 1.00 0.00 H new ATOM 0 HA THR A 80 -2.739 15.943 -3.873 1.00 0.00 H new ATOM 0 HB THR A 80 -0.842 14.158 -5.449 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.530 15.224 -7.206 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.855 12.908 -6.166 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.605 12.829 -4.406 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.851 13.906 -5.080 1.00 0.00 H new ATOM 1212 N LEU A 81 -2.177 14.701 -1.775 1.00 0.00 N ATOM 1213 CA LEU A 81 -2.053 13.809 -0.618 1.00 0.00 C ATOM 1214 C LEU A 81 -2.593 12.418 -1.011 1.00 0.00 C ATOM 1215 O LEU A 81 -3.797 12.266 -1.265 1.00 0.00 O ATOM 1216 CB LEU A 81 -2.842 14.381 0.591 1.00 0.00 C ATOM 1217 CG LEU A 81 -2.752 13.557 1.915 1.00 0.00 C ATOM 1218 CD1 LEU A 81 -1.337 13.631 2.542 1.00 0.00 C ATOM 1219 CD2 LEU A 81 -3.842 13.984 2.926 1.00 0.00 C ATOM 0 H LEU A 81 -2.934 15.379 -1.690 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.007 13.725 -0.324 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.483 15.391 0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.891 14.465 0.309 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.937 12.514 1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.315 13.045 3.461 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.606 13.231 1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.093 14.669 2.767 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.748 13.389 3.835 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.720 15.040 3.169 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.827 13.824 2.488 1.00 0.00 H new ATOM 1231 N PHE A 82 -1.693 11.426 -1.084 1.00 0.00 N ATOM 1232 CA PHE A 82 -2.025 10.061 -1.539 1.00 0.00 C ATOM 1233 C PHE A 82 -2.857 9.306 -0.498 1.00 0.00 C ATOM 1234 O PHE A 82 -3.636 8.430 -0.847 1.00 0.00 O ATOM 1235 CB PHE A 82 -0.733 9.271 -1.879 1.00 0.00 C ATOM 1236 CG PHE A 82 0.130 9.877 -2.994 1.00 0.00 C ATOM 1237 CD1 PHE A 82 -0.385 10.804 -3.904 1.00 0.00 C ATOM 1238 CD2 PHE A 82 1.464 9.504 -3.136 1.00 0.00 C ATOM 1239 CE1 PHE A 82 0.403 11.330 -4.901 1.00 0.00 C ATOM 1240 CE2 PHE A 82 2.251 10.033 -4.140 1.00 0.00 C ATOM 1241 CZ PHE A 82 1.720 10.946 -5.020 1.00 0.00 C ATOM 0 H PHE A 82 -0.712 11.544 -0.830 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.629 10.152 -2.442 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -0.128 9.190 -0.976 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.012 8.257 -2.167 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.417 11.112 -3.823 1.00 0.00 H new ATOM 0 HD2 PHE A 82 1.891 8.788 -2.449 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -0.013 12.047 -5.593 1.00 0.00 H new ATOM 0 HE2 PHE A 82 3.283 9.730 -4.234 1.00 0.00 H new ATOM 0 HZ PHE A 82 2.335 11.362 -5.804 1.00 0.00 H new ATOM 1251 N GLY A 83 -2.691 9.668 0.774 1.00 0.00 N ATOM 1252 CA GLY A 83 -3.444 9.050 1.853 1.00 0.00 C ATOM 1253 C GLY A 83 -3.223 9.748 3.169 1.00 0.00 C ATOM 1254 O GLY A 83 -2.455 10.702 3.248 1.00 0.00 O ATOM 0 H GLY A 83 -2.038 10.390 1.078 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.506 9.065 1.609 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.153 8.004 1.945 1.00 0.00 H new ATOM 1258 N GLU A 84 -3.907 9.280 4.207 1.00 0.00 N ATOM 1259 CA GLU A 84 -3.708 9.781 5.572 1.00 0.00 C ATOM 1260 C GLU A 84 -2.494 9.063 6.194 1.00 0.00 C ATOM 1261 O GLU A 84 -1.604 9.688 6.784 1.00 0.00 O ATOM 1262 CB GLU A 84 -4.992 9.518 6.396 1.00 0.00 C ATOM 1263 CG GLU A 84 -6.270 10.159 5.813 1.00 0.00 C ATOM 1264 CD GLU A 84 -7.537 9.822 6.626 1.00 0.00 C ATOM 1265 OE1 GLU A 84 -8.114 8.732 6.421 1.00 0.00 O ATOM 1266 OE2 GLU A 84 -7.952 10.637 7.477 1.00 0.00 O ATOM 0 H GLU A 84 -4.612 8.547 4.133 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.513 10.853 5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.144 8.441 6.474 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.842 9.893 7.408 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.144 11.241 5.779 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.403 9.821 4.785 1.00 0.00 H new ATOM 1273 N TYR A 85 -2.473 7.740 6.009 1.00 0.00 N ATOM 1274 CA TYR A 85 -1.423 6.844 6.512 1.00 0.00 C ATOM 1275 C TYR A 85 -0.361 6.635 5.410 1.00 0.00 C ATOM 1276 O TYR A 85 -0.706 6.522 4.223 1.00 0.00 O ATOM 1277 CB TYR A 85 -2.075 5.491 6.919 1.00 0.00 C ATOM 1278 CG TYR A 85 -1.234 4.605 7.861 1.00 0.00 C ATOM 1279 CD1 TYR A 85 -0.202 3.790 7.379 1.00 0.00 C ATOM 1280 CD2 TYR A 85 -1.493 4.570 9.236 1.00 0.00 C ATOM 1281 CE1 TYR A 85 0.529 2.988 8.230 1.00 0.00 C ATOM 1282 CE2 TYR A 85 -0.763 3.763 10.085 1.00 0.00 C ATOM 1283 CZ TYR A 85 0.241 2.975 9.579 1.00 0.00 C ATOM 1284 OH TYR A 85 0.964 2.173 10.425 1.00 0.00 O ATOM 0 H TYR A 85 -3.203 7.248 5.493 1.00 0.00 H new ATOM 0 HA TYR A 85 -0.933 7.278 7.384 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -3.030 5.699 7.401 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.291 4.925 6.013 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.025 3.790 6.323 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.281 5.188 9.641 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.326 2.371 7.841 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.981 3.751 11.143 1.00 0.00 H new ATOM 0 HH TYR A 85 1.004 2.586 11.313 1.00 0.00 H new ATOM 1294 N TYR A 86 0.923 6.605 5.809 1.00 0.00 N ATOM 1295 CA TYR A 86 2.055 6.314 4.901 1.00 0.00 C ATOM 1296 C TYR A 86 2.995 5.292 5.540 1.00 0.00 C ATOM 1297 O TYR A 86 3.103 5.221 6.775 1.00 0.00 O ATOM 1298 CB TYR A 86 2.836 7.602 4.514 1.00 0.00 C ATOM 1299 CG TYR A 86 3.391 8.440 5.684 1.00 0.00 C ATOM 1300 CD1 TYR A 86 2.570 9.330 6.387 1.00 0.00 C ATOM 1301 CD2 TYR A 86 4.737 8.359 6.073 1.00 0.00 C ATOM 1302 CE1 TYR A 86 3.065 10.098 7.426 1.00 0.00 C ATOM 1303 CE2 TYR A 86 5.231 9.125 7.113 1.00 0.00 C ATOM 1304 CZ TYR A 86 4.392 9.992 7.786 1.00 0.00 C ATOM 1305 OH TYR A 86 4.887 10.763 8.820 1.00 0.00 O ATOM 0 H TYR A 86 1.209 6.782 6.772 1.00 0.00 H new ATOM 0 HA TYR A 86 1.642 5.896 3.983 1.00 0.00 H new ATOM 0 HB2 TYR A 86 3.669 7.317 3.871 1.00 0.00 H new ATOM 0 HB3 TYR A 86 2.178 8.236 3.920 1.00 0.00 H new ATOM 0 HD1 TYR A 86 1.529 9.419 6.113 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.400 7.685 5.550 1.00 0.00 H new ATOM 0 HE1 TYR A 86 2.414 10.779 7.954 1.00 0.00 H new ATOM 0 HE2 TYR A 86 6.270 9.046 7.398 1.00 0.00 H new ATOM 0 HH TYR A 86 5.839 10.567 8.947 1.00 0.00 H new ATOM 1315 N CYS A 87 3.669 4.507 4.678 1.00 0.00 N ATOM 1316 CA CYS A 87 4.632 3.485 5.102 1.00 0.00 C ATOM 1317 C CYS A 87 5.391 2.948 3.877 1.00 0.00 C ATOM 1318 O CYS A 87 4.786 2.325 2.987 1.00 0.00 O ATOM 1319 CB CYS A 87 3.909 2.346 5.838 1.00 0.00 C ATOM 1320 SG CYS A 87 5.003 1.163 6.668 1.00 0.00 S ATOM 0 H CYS A 87 3.557 4.568 3.666 1.00 0.00 H new ATOM 0 HA CYS A 87 5.350 3.931 5.790 1.00 0.00 H new ATOM 0 HB2 CYS A 87 3.237 2.780 6.579 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.289 1.806 5.123 1.00 0.00 H new ATOM 0 HG CYS A 87 4.689 -0.046 6.306 1.00 0.00 H new ATOM 1325 N ASP A 88 6.716 3.174 3.861 1.00 0.00 N ATOM 1326 CA ASP A 88 7.579 2.919 2.691 1.00 0.00 C ATOM 1327 C ASP A 88 7.891 1.422 2.525 1.00 0.00 C ATOM 1328 O ASP A 88 7.837 0.911 1.417 1.00 0.00 O ATOM 1329 CB ASP A 88 8.889 3.740 2.813 1.00 0.00 C ATOM 1330 CG ASP A 88 9.843 3.545 1.617 1.00 0.00 C ATOM 1331 OD1 ASP A 88 9.545 4.064 0.518 1.00 0.00 O ATOM 1332 OD2 ASP A 88 10.880 2.856 1.764 1.00 0.00 O ATOM 0 H ASP A 88 7.224 3.542 4.666 1.00 0.00 H new ATOM 0 HA ASP A 88 7.038 3.236 1.799 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.640 4.797 2.902 1.00 0.00 H new ATOM 0 HB3 ASP A 88 9.404 3.455 3.730 1.00 0.00 H new ATOM 1337 N ILE A 89 8.194 0.732 3.642 1.00 0.00 N ATOM 1338 CA ILE A 89 8.575 -0.706 3.642 1.00 0.00 C ATOM 1339 C ILE A 89 7.435 -1.585 3.072 1.00 0.00 C ATOM 1340 O ILE A 89 7.665 -2.480 2.252 1.00 0.00 O ATOM 1341 CB ILE A 89 8.959 -1.180 5.100 1.00 0.00 C ATOM 1342 CG1 ILE A 89 10.164 -0.339 5.643 1.00 0.00 C ATOM 1343 CG2 ILE A 89 9.280 -2.700 5.155 1.00 0.00 C ATOM 1344 CD1 ILE A 89 10.548 -0.615 7.092 1.00 0.00 C ATOM 0 H ILE A 89 8.183 1.150 4.572 1.00 0.00 H new ATOM 0 HA ILE A 89 9.446 -0.821 2.997 1.00 0.00 H new ATOM 0 HB ILE A 89 8.092 -1.013 5.739 1.00 0.00 H new ATOM 0 HG12 ILE A 89 11.032 -0.528 5.012 1.00 0.00 H new ATOM 0 HG13 ILE A 89 9.922 0.719 5.543 1.00 0.00 H new ATOM 0 HG21 ILE A 89 9.538 -2.981 6.176 1.00 0.00 H new ATOM 0 HG22 ILE A 89 8.407 -3.268 4.832 1.00 0.00 H new ATOM 0 HG23 ILE A 89 10.120 -2.919 4.495 1.00 0.00 H new ATOM 0 HD11 ILE A 89 11.391 0.016 7.372 1.00 0.00 H new ATOM 0 HD12 ILE A 89 9.700 -0.396 7.741 1.00 0.00 H new ATOM 0 HD13 ILE A 89 10.828 -1.663 7.201 1.00 0.00 H new ATOM 1356 N CYS A 90 6.197 -1.284 3.497 1.00 0.00 N ATOM 1357 CA CYS A 90 4.995 -2.004 3.035 1.00 0.00 C ATOM 1358 C CYS A 90 4.538 -1.472 1.663 1.00 0.00 C ATOM 1359 O CYS A 90 3.780 -2.152 0.964 1.00 0.00 O ATOM 1360 CB CYS A 90 3.856 -1.845 4.059 1.00 0.00 C ATOM 1361 SG CYS A 90 4.256 -2.388 5.746 1.00 0.00 S ATOM 0 H CYS A 90 6.000 -0.540 4.166 1.00 0.00 H new ATOM 0 HA CYS A 90 5.245 -3.060 2.936 1.00 0.00 H new ATOM 0 HB2 CYS A 90 3.561 -0.796 4.092 1.00 0.00 H new ATOM 0 HB3 CYS A 90 2.991 -2.408 3.708 1.00 0.00 H new ATOM 0 HG CYS A 90 3.533 -1.724 6.598 1.00 0.00 H new ATOM 1366 N HIS A 91 5.002 -0.238 1.316 1.00 0.00 N ATOM 1367 CA HIS A 91 4.631 0.478 0.077 1.00 0.00 C ATOM 1368 C HIS A 91 3.108 0.659 -0.021 1.00 0.00 C ATOM 1369 O HIS A 91 2.486 0.386 -1.056 1.00 0.00 O ATOM 1370 CB HIS A 91 5.230 -0.225 -1.171 1.00 0.00 C ATOM 1371 CG HIS A 91 6.718 -0.038 -1.332 1.00 0.00 C ATOM 1372 ND1 HIS A 91 7.661 -0.925 -0.846 1.00 0.00 N ATOM 1373 CD2 HIS A 91 7.420 0.958 -1.927 1.00 0.00 C ATOM 1374 CE1 HIS A 91 8.870 -0.477 -1.129 1.00 0.00 C ATOM 1375 NE2 HIS A 91 8.748 0.661 -1.784 1.00 0.00 N ATOM 0 H HIS A 91 5.652 0.287 1.901 1.00 0.00 H new ATOM 0 HA HIS A 91 5.063 1.478 0.113 1.00 0.00 H new ATOM 0 HB2 HIS A 91 5.014 -1.292 -1.112 1.00 0.00 H new ATOM 0 HB3 HIS A 91 4.729 0.153 -2.062 1.00 0.00 H new ATOM 0 HD1 HIS A 91 7.455 -1.790 -0.347 1.00 0.00 H new ATOM 0 HD2 HIS A 91 7.007 1.825 -2.422 1.00 0.00 H new ATOM 0 HE1 HIS A 91 9.800 -0.960 -0.869 1.00 0.00 H new ATOM 1384 N LEU A 92 2.516 1.127 1.086 1.00 0.00 N ATOM 1385 CA LEU A 92 1.088 1.437 1.151 1.00 0.00 C ATOM 1386 C LEU A 92 0.936 2.893 1.596 1.00 0.00 C ATOM 1387 O LEU A 92 1.534 3.314 2.601 1.00 0.00 O ATOM 1388 CB LEU A 92 0.325 0.422 2.075 1.00 0.00 C ATOM 1389 CG LEU A 92 0.573 0.457 3.639 1.00 0.00 C ATOM 1390 CD1 LEU A 92 -0.315 1.505 4.371 1.00 0.00 C ATOM 1391 CD2 LEU A 92 0.357 -0.940 4.259 1.00 0.00 C ATOM 0 H LEU A 92 3.016 1.300 1.958 1.00 0.00 H new ATOM 0 HA LEU A 92 0.628 1.327 0.169 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.742 0.568 1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.567 -0.582 1.728 1.00 0.00 H new ATOM 0 HG LEU A 92 1.611 0.761 3.777 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.100 1.482 5.439 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.102 2.500 3.979 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.366 1.269 4.208 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.533 -0.892 5.334 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.666 -1.266 4.073 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.052 -1.649 3.809 1.00 0.00 H new ATOM 1403 N PHE A 93 0.220 3.676 0.781 1.00 0.00 N ATOM 1404 CA PHE A 93 -0.171 5.053 1.107 1.00 0.00 C ATOM 1405 C PHE A 93 -1.664 5.130 0.828 1.00 0.00 C ATOM 1406 O PHE A 93 -2.049 5.092 -0.325 1.00 0.00 O ATOM 1407 CB PHE A 93 0.591 6.087 0.211 1.00 0.00 C ATOM 1408 CG PHE A 93 2.104 5.855 0.111 1.00 0.00 C ATOM 1409 CD1 PHE A 93 2.889 5.710 1.257 1.00 0.00 C ATOM 1410 CD2 PHE A 93 2.738 5.783 -1.130 1.00 0.00 C ATOM 1411 CE1 PHE A 93 4.248 5.488 1.167 1.00 0.00 C ATOM 1412 CE2 PHE A 93 4.096 5.563 -1.218 1.00 0.00 C ATOM 1413 CZ PHE A 93 4.853 5.419 -0.069 1.00 0.00 C ATOM 0 H PHE A 93 -0.108 3.368 -0.134 1.00 0.00 H new ATOM 0 HA PHE A 93 0.071 5.293 2.142 1.00 0.00 H new ATOM 0 HB2 PHE A 93 0.166 6.061 -0.792 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.416 7.088 0.605 1.00 0.00 H new ATOM 0 HD1 PHE A 93 2.425 5.773 2.230 1.00 0.00 H new ATOM 0 HD2 PHE A 93 2.157 5.901 -2.033 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.837 5.368 2.064 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.570 5.503 -2.186 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.918 5.253 -0.141 1.00 0.00 H new ATOM 1423 N ASP A 94 -2.479 5.222 1.870 1.00 0.00 N ATOM 1424 CA ASP A 94 -3.953 5.192 1.761 1.00 0.00 C ATOM 1425 C ASP A 94 -4.554 5.792 3.030 1.00 0.00 C ATOM 1426 O ASP A 94 -3.814 6.227 3.921 1.00 0.00 O ATOM 1427 CB ASP A 94 -4.495 3.744 1.497 1.00 0.00 C ATOM 1428 CG ASP A 94 -4.033 2.693 2.526 1.00 0.00 C ATOM 1429 OD1 ASP A 94 -2.934 2.121 2.344 1.00 0.00 O ATOM 1430 OD2 ASP A 94 -4.767 2.427 3.500 1.00 0.00 O ATOM 0 H ASP A 94 -2.144 5.321 2.829 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.255 5.788 0.900 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -5.585 3.773 1.490 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -4.178 3.426 0.504 1.00 0.00 H new ATOM 1435 N LYS A 95 -5.891 5.873 3.083 1.00 0.00 N ATOM 1436 CA LYS A 95 -6.604 6.388 4.261 1.00 0.00 C ATOM 1437 C LYS A 95 -6.293 5.557 5.518 1.00 0.00 C ATOM 1438 O LYS A 95 -6.216 4.323 5.456 1.00 0.00 O ATOM 1439 CB LYS A 95 -8.133 6.384 4.034 1.00 0.00 C ATOM 1440 CG LYS A 95 -8.637 7.350 2.946 1.00 0.00 C ATOM 1441 CD LYS A 95 -10.183 7.347 2.826 1.00 0.00 C ATOM 1442 CE LYS A 95 -10.898 7.743 4.138 1.00 0.00 C ATOM 1443 NZ LYS A 95 -10.471 9.078 4.652 1.00 0.00 N ATOM 0 H LYS A 95 -6.503 5.587 2.319 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.258 7.411 4.411 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.442 5.373 3.771 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.624 6.633 4.974 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.294 8.360 3.173 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.200 7.073 1.987 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -10.481 8.036 2.036 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -10.515 6.354 2.525 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.975 7.751 3.971 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.699 6.986 4.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -11.252 9.511 5.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -9.647 8.962 5.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -10.216 9.692 3.853 1.00 0.00 H new ATOM 1457 N ASP A 96 -6.155 6.244 6.659 1.00 0.00 N ATOM 1458 CA ASP A 96 -5.999 5.587 7.949 1.00 0.00 C ATOM 1459 C ASP A 96 -7.396 5.181 8.410 1.00 0.00 C ATOM 1460 O ASP A 96 -8.249 6.030 8.693 1.00 0.00 O ATOM 1461 CB ASP A 96 -5.310 6.513 8.988 1.00 0.00 C ATOM 1462 CG ASP A 96 -5.297 5.914 10.410 1.00 0.00 C ATOM 1463 OD1 ASP A 96 -4.753 4.797 10.601 1.00 0.00 O ATOM 1464 OD2 ASP A 96 -5.863 6.536 11.339 1.00 0.00 O ATOM 0 H ASP A 96 -6.149 7.263 6.707 1.00 0.00 H new ATOM 0 HA ASP A 96 -5.353 4.714 7.854 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.285 6.707 8.671 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.824 7.474 9.009 1.00 0.00 H new ATOM 1469 N LYS A 97 -7.627 3.874 8.420 1.00 0.00 N ATOM 1470 CA LYS A 97 -8.880 3.270 8.864 1.00 0.00 C ATOM 1471 C LYS A 97 -8.548 2.383 10.058 1.00 0.00 C ATOM 1472 O LYS A 97 -8.714 1.148 10.022 1.00 0.00 O ATOM 1473 CB LYS A 97 -9.526 2.481 7.688 1.00 0.00 C ATOM 1474 CG LYS A 97 -9.884 3.342 6.450 1.00 0.00 C ATOM 1475 CD LYS A 97 -10.452 2.489 5.294 1.00 0.00 C ATOM 1476 CE LYS A 97 -10.896 3.324 4.079 1.00 0.00 C ATOM 1477 NZ LYS A 97 -11.478 2.465 3.010 1.00 0.00 N ATOM 0 H LYS A 97 -6.936 3.189 8.114 1.00 0.00 H new ATOM 0 HA LYS A 97 -9.612 4.018 9.170 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -8.841 1.691 7.379 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.432 1.994 8.049 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -10.615 4.099 6.734 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.995 3.871 6.107 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.695 1.772 4.976 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -11.302 1.914 5.660 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.632 4.064 4.394 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -10.042 3.873 3.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.331 2.916 2.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.013 1.535 3.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -12.497 2.344 3.178 1.00 0.00 H new ATOM 1491 N LYS A 98 -7.991 3.057 11.093 1.00 0.00 N ATOM 1492 CA LYS A 98 -7.625 2.461 12.386 1.00 0.00 C ATOM 1493 C LYS A 98 -6.461 1.461 12.274 1.00 0.00 C ATOM 1494 O LYS A 98 -6.179 0.737 13.237 1.00 0.00 O ATOM 1495 CB LYS A 98 -8.865 1.821 13.068 1.00 0.00 C ATOM 1496 CG LYS A 98 -9.994 2.811 13.416 1.00 0.00 C ATOM 1497 CD LYS A 98 -9.504 3.977 14.303 1.00 0.00 C ATOM 1498 CE LYS A 98 -10.618 4.986 14.603 1.00 0.00 C ATOM 1499 NZ LYS A 98 -11.699 4.391 15.430 1.00 0.00 N ATOM 0 H LYS A 98 -7.782 4.054 11.043 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.266 3.272 13.020 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.267 1.050 12.410 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.543 1.323 13.983 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -10.418 3.212 12.495 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -10.794 2.279 13.930 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.115 3.579 15.240 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.679 4.487 13.806 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.197 5.847 15.122 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.038 5.352 13.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.029 5.090 16.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -12.491 4.112 14.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.334 3.554 15.928 1.00 0.00 H new ATOM 1513 N GLN A 99 -5.738 1.490 11.134 1.00 0.00 N ATOM 1514 CA GLN A 99 -4.655 0.534 10.849 1.00 0.00 C ATOM 1515 C GLN A 99 -3.392 0.886 11.661 1.00 0.00 C ATOM 1516 O GLN A 99 -3.226 2.034 12.106 1.00 0.00 O ATOM 1517 CB GLN A 99 -4.340 0.483 9.326 1.00 0.00 C ATOM 1518 CG GLN A 99 -3.663 1.733 8.736 1.00 0.00 C ATOM 1519 CD GLN A 99 -3.179 1.520 7.295 1.00 0.00 C ATOM 1520 OE1 GLN A 99 -2.091 0.978 7.078 1.00 0.00 O ATOM 1521 NE2 GLN A 99 -3.939 1.990 6.315 1.00 0.00 N ATOM 0 H GLN A 99 -5.890 2.173 10.392 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.991 -0.458 11.153 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.698 -0.377 9.136 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -5.272 0.310 8.788 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -4.365 2.567 8.760 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -2.815 2.012 9.362 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -4.833 2.432 6.530 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -3.630 1.909 5.346 1.00 0.00 H new ATOM 1530 N TYR A 100 -2.510 -0.111 11.847 1.00 0.00 N ATOM 1531 CA TYR A 100 -1.289 0.030 12.664 1.00 0.00 C ATOM 1532 C TYR A 100 -0.158 -0.830 12.086 1.00 0.00 C ATOM 1533 O TYR A 100 -0.389 -1.984 11.684 1.00 0.00 O ATOM 1534 CB TYR A 100 -1.576 -0.375 14.139 1.00 0.00 C ATOM 1535 CG TYR A 100 -1.999 -1.851 14.373 1.00 0.00 C ATOM 1536 CD1 TYR A 100 -3.278 -2.315 14.020 1.00 0.00 C ATOM 1537 CD2 TYR A 100 -1.122 -2.777 14.959 1.00 0.00 C ATOM 1538 CE1 TYR A 100 -3.656 -3.629 14.249 1.00 0.00 C ATOM 1539 CE2 TYR A 100 -1.502 -4.088 15.181 1.00 0.00 C ATOM 1540 CZ TYR A 100 -2.765 -4.508 14.822 1.00 0.00 C ATOM 1541 OH TYR A 100 -3.139 -5.811 15.060 1.00 0.00 O ATOM 0 H TYR A 100 -2.622 -1.038 11.436 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.976 1.074 12.644 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.681 -0.177 14.729 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -2.363 0.273 14.526 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -3.980 -1.634 13.561 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -0.130 -2.459 15.242 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -4.647 -3.962 13.979 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.810 -4.782 15.635 1.00 0.00 H new ATOM 0 HH TYR A 100 -2.341 -6.378 15.105 1.00 0.00 H new ATOM 1551 N HIS A 101 1.062 -0.258 12.011 1.00 0.00 N ATOM 1552 CA HIS A 101 2.257 -1.016 11.606 1.00 0.00 C ATOM 1553 C HIS A 101 2.798 -1.769 12.822 1.00 0.00 C ATOM 1554 O HIS A 101 3.458 -1.192 13.696 1.00 0.00 O ATOM 1555 CB HIS A 101 3.328 -0.103 10.935 1.00 0.00 C ATOM 1556 CG HIS A 101 4.574 -0.838 10.481 1.00 0.00 C ATOM 1557 ND1 HIS A 101 4.727 -1.389 9.196 1.00 0.00 N ATOM 1558 CD2 HIS A 101 5.686 -1.123 11.210 1.00 0.00 C ATOM 1559 CE1 HIS A 101 5.914 -1.977 9.240 1.00 0.00 C ATOM 1560 NE2 HIS A 101 6.513 -1.840 10.417 1.00 0.00 N ATOM 0 H HIS A 101 1.242 0.723 12.225 1.00 0.00 H new ATOM 0 HA HIS A 101 1.983 -1.743 10.841 1.00 0.00 H new ATOM 0 HB2 HIS A 101 2.879 0.393 10.075 1.00 0.00 H new ATOM 0 HB3 HIS A 101 3.616 0.678 11.639 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.874 -0.831 12.233 1.00 0.00 H new ATOM 0 HE1 HIS A 101 6.348 -2.511 8.407 1.00 0.00 H new ATOM 0 HE2 HIS A 101 7.429 -2.208 10.675 1.00 0.00 H new ATOM 1568 N CYS A 102 2.442 -3.054 12.878 1.00 0.00 N ATOM 1569 CA CYS A 102 2.909 -3.978 13.902 1.00 0.00 C ATOM 1570 C CYS A 102 4.370 -4.358 13.628 1.00 0.00 C ATOM 1571 O CYS A 102 4.716 -4.710 12.491 1.00 0.00 O ATOM 1572 CB CYS A 102 2.027 -5.226 13.899 1.00 0.00 C ATOM 1573 SG CYS A 102 2.462 -6.455 15.154 1.00 0.00 S ATOM 0 H CYS A 102 1.812 -3.484 12.201 1.00 0.00 H new ATOM 0 HA CYS A 102 2.849 -3.502 14.881 1.00 0.00 H new ATOM 0 HB2 CYS A 102 0.991 -4.923 14.049 1.00 0.00 H new ATOM 0 HB3 CYS A 102 2.084 -5.693 12.916 1.00 0.00 H new ATOM 0 HG CYS A 102 2.302 -7.649 14.666 1.00 0.00 H new ATOM 1578 N GLU A 103 5.206 -4.290 14.675 1.00 0.00 N ATOM 1579 CA GLU A 103 6.666 -4.462 14.562 1.00 0.00 C ATOM 1580 C GLU A 103 7.056 -5.926 14.264 1.00 0.00 C ATOM 1581 O GLU A 103 7.904 -6.180 13.403 1.00 0.00 O ATOM 1582 CB GLU A 103 7.354 -3.947 15.855 1.00 0.00 C ATOM 1583 CG GLU A 103 7.065 -2.459 16.157 1.00 0.00 C ATOM 1584 CD GLU A 103 7.713 -1.951 17.457 1.00 0.00 C ATOM 1585 OE1 GLU A 103 8.892 -1.534 17.426 1.00 0.00 O ATOM 1586 OE2 GLU A 103 7.049 -1.976 18.518 1.00 0.00 O ATOM 0 H GLU A 103 4.889 -4.114 15.628 1.00 0.00 H new ATOM 0 HA GLU A 103 7.014 -3.871 13.715 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.022 -4.552 16.699 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.431 -4.089 15.765 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.421 -1.853 15.324 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.987 -2.313 16.219 1.00 0.00 H new ATOM 1593 N ASN A 104 6.408 -6.881 14.956 1.00 0.00 N ATOM 1594 CA ASN A 104 6.731 -8.322 14.828 1.00 0.00 C ATOM 1595 C ASN A 104 6.133 -8.923 13.539 1.00 0.00 C ATOM 1596 O ASN A 104 6.772 -9.755 12.890 1.00 0.00 O ATOM 1597 CB ASN A 104 6.257 -9.110 16.076 1.00 0.00 C ATOM 1598 CG ASN A 104 6.699 -10.588 16.085 1.00 0.00 C ATOM 1599 OD1 ASN A 104 5.959 -11.457 16.525 1.00 0.00 O ATOM 1600 ND2 ASN A 104 7.918 -10.879 15.639 1.00 0.00 N ATOM 0 H ASN A 104 5.654 -6.684 15.613 1.00 0.00 H new ATOM 0 HA ASN A 104 7.815 -8.410 14.761 1.00 0.00 H new ATOM 0 HB2 ASN A 104 6.641 -8.620 16.971 1.00 0.00 H new ATOM 0 HB3 ASN A 104 5.169 -9.066 16.131 1.00 0.00 H new ATOM 0 HD21 ASN A 104 8.252 -11.842 15.660 1.00 0.00 H new ATOM 0 HD22 ASN A 104 8.519 -10.139 15.276 1.00 0.00 H new ATOM 1607 N CYS A 105 4.903 -8.495 13.174 1.00 0.00 N ATOM 1608 CA CYS A 105 4.289 -8.866 11.869 1.00 0.00 C ATOM 1609 C CYS A 105 5.026 -8.141 10.719 1.00 0.00 C ATOM 1610 O CYS A 105 4.982 -8.578 9.569 1.00 0.00 O ATOM 1611 CB CYS A 105 2.767 -8.548 11.827 1.00 0.00 C ATOM 1612 SG CYS A 105 1.750 -9.506 13.005 1.00 0.00 S ATOM 0 H CYS A 105 4.316 -7.897 13.756 1.00 0.00 H new ATOM 0 HA CYS A 105 4.394 -9.944 11.746 1.00 0.00 H new ATOM 0 HB2 CYS A 105 2.627 -7.486 12.028 1.00 0.00 H new ATOM 0 HB3 CYS A 105 2.399 -8.733 10.818 1.00 0.00 H new ATOM 0 HG CYS A 105 0.907 -8.712 13.596 1.00 0.00 H new ATOM 1617 N GLY A 106 5.662 -7.001 11.058 1.00 0.00 N ATOM 1618 CA GLY A 106 6.557 -6.276 10.140 1.00 0.00 C ATOM 1619 C GLY A 106 5.818 -5.489 9.069 1.00 0.00 C ATOM 1620 O GLY A 106 6.439 -4.959 8.140 1.00 0.00 O ATOM 0 H GLY A 106 5.569 -6.560 11.973 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.180 -5.593 10.717 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.226 -6.989 9.659 1.00 0.00 H new ATOM 1624 N ILE A 107 4.482 -5.388 9.217 1.00 0.00 N ATOM 1625 CA ILE A 107 3.587 -4.763 8.224 1.00 0.00 C ATOM 1626 C ILE A 107 2.481 -3.958 8.918 1.00 0.00 C ATOM 1627 O ILE A 107 2.290 -4.052 10.137 1.00 0.00 O ATOM 1628 CB ILE A 107 2.893 -5.836 7.286 1.00 0.00 C ATOM 1629 CG1 ILE A 107 2.084 -6.884 8.134 1.00 0.00 C ATOM 1630 CG2 ILE A 107 3.928 -6.530 6.374 1.00 0.00 C ATOM 1631 CD1 ILE A 107 1.169 -7.789 7.323 1.00 0.00 C ATOM 0 H ILE A 107 3.990 -5.742 10.037 1.00 0.00 H new ATOM 0 HA ILE A 107 4.214 -4.109 7.618 1.00 0.00 H new ATOM 0 HB ILE A 107 2.186 -5.313 6.642 1.00 0.00 H new ATOM 0 HG12 ILE A 107 2.789 -7.505 8.687 1.00 0.00 H new ATOM 0 HG13 ILE A 107 1.484 -6.349 8.870 1.00 0.00 H new ATOM 0 HG21 ILE A 107 3.424 -7.261 5.742 1.00 0.00 H new ATOM 0 HG22 ILE A 107 4.418 -5.785 5.747 1.00 0.00 H new ATOM 0 HG23 ILE A 107 4.674 -7.035 6.988 1.00 0.00 H new ATOM 0 HD11 ILE A 107 0.653 -8.478 7.992 1.00 0.00 H new ATOM 0 HD12 ILE A 107 0.436 -7.183 6.791 1.00 0.00 H new ATOM 0 HD13 ILE A 107 1.761 -8.356 6.605 1.00 0.00 H new ATOM 1643 N CYS A 108 1.755 -3.171 8.107 1.00 0.00 N ATOM 1644 CA CYS A 108 0.458 -2.593 8.477 1.00 0.00 C ATOM 1645 C CYS A 108 -0.586 -3.019 7.447 1.00 0.00 C ATOM 1646 O CYS A 108 -0.253 -3.303 6.290 1.00 0.00 O ATOM 1647 CB CYS A 108 0.518 -1.050 8.598 1.00 0.00 C ATOM 1648 SG CYS A 108 1.587 -0.208 7.413 1.00 0.00 S ATOM 0 H CYS A 108 2.058 -2.917 7.167 1.00 0.00 H new ATOM 0 HA CYS A 108 0.181 -2.968 9.462 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -0.493 -0.657 8.490 1.00 0.00 H new ATOM 0 HB3 CYS A 108 0.852 -0.796 9.604 1.00 0.00 H new ATOM 0 HG CYS A 108 2.773 -0.064 7.925 1.00 0.00 H new ATOM 1653 N ARG A 109 -1.832 -3.086 7.904 1.00 0.00 N ATOM 1654 CA ARG A 109 -3.000 -3.429 7.080 1.00 0.00 C ATOM 1655 C ARG A 109 -4.230 -2.878 7.815 1.00 0.00 C ATOM 1656 O ARG A 109 -4.184 -2.753 9.052 1.00 0.00 O ATOM 1657 CB ARG A 109 -3.058 -4.989 6.866 1.00 0.00 C ATOM 1658 CG ARG A 109 -4.030 -5.524 5.767 1.00 0.00 C ATOM 1659 CD ARG A 109 -5.495 -5.651 6.225 1.00 0.00 C ATOM 1660 NE ARG A 109 -6.376 -6.143 5.149 1.00 0.00 N ATOM 1661 CZ ARG A 109 -7.718 -6.196 5.207 1.00 0.00 C ATOM 1662 NH1 ARG A 109 -8.380 -5.731 6.260 1.00 0.00 N ATOM 1663 NH2 ARG A 109 -8.396 -6.704 4.189 1.00 0.00 N ATOM 0 H ARG A 109 -2.070 -2.900 8.878 1.00 0.00 H new ATOM 0 HA ARG A 109 -2.952 -2.990 6.083 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -2.053 -5.334 6.625 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -3.334 -5.450 7.814 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -3.987 -4.858 4.905 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -3.680 -6.501 5.433 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -5.550 -6.330 7.076 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -5.852 -4.680 6.568 1.00 0.00 H new ATOM 0 HE ARG A 109 -5.931 -6.469 4.291 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -7.870 -5.324 7.044 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -9.399 -5.780 6.285 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -7.900 -7.052 3.368 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -9.414 -6.748 4.226 1.00 0.00 H new ATOM 1677 N ILE A 110 -5.297 -2.523 7.053 1.00 0.00 N ATOM 1678 CA ILE A 110 -6.568 -1.997 7.610 1.00 0.00 C ATOM 1679 C ILE A 110 -7.077 -2.945 8.728 1.00 0.00 C ATOM 1680 O ILE A 110 -7.583 -4.042 8.452 1.00 0.00 O ATOM 1681 CB ILE A 110 -7.665 -1.820 6.482 1.00 0.00 C ATOM 1682 CG1 ILE A 110 -7.136 -0.924 5.299 1.00 0.00 C ATOM 1683 CG2 ILE A 110 -8.993 -1.256 7.067 1.00 0.00 C ATOM 1684 CD1 ILE A 110 -6.798 0.513 5.674 1.00 0.00 C ATOM 0 H ILE A 110 -5.299 -2.594 6.035 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.378 -1.011 8.034 1.00 0.00 H new ATOM 0 HB ILE A 110 -7.877 -2.809 6.075 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -6.245 -1.392 4.880 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -7.889 -0.909 4.511 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -9.725 -1.146 6.267 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -9.379 -1.942 7.821 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -8.806 -0.284 7.523 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -6.443 1.045 4.792 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -7.689 1.007 6.062 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -6.020 0.516 6.437 1.00 0.00 H new ATOM 1696 N GLY A 111 -6.887 -2.509 9.980 1.00 0.00 N ATOM 1697 CA GLY A 111 -7.016 -3.365 11.150 1.00 0.00 C ATOM 1698 C GLY A 111 -7.169 -2.517 12.377 1.00 0.00 C ATOM 1699 O GLY A 111 -6.168 -1.979 12.850 1.00 0.00 O ATOM 0 H GLY A 111 -6.638 -1.545 10.203 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -7.879 -4.022 11.039 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -6.138 -4.004 11.244 1.00 0.00 H new ATOM 1703 N PRO A 112 -8.414 -2.320 12.898 1.00 0.00 N ATOM 1704 CA PRO A 112 -8.629 -1.524 14.107 1.00 0.00 C ATOM 1705 C PRO A 112 -7.975 -2.193 15.319 1.00 0.00 C ATOM 1706 O PRO A 112 -8.326 -3.314 15.664 1.00 0.00 O ATOM 1707 CB PRO A 112 -10.171 -1.437 14.223 1.00 0.00 C ATOM 1708 CG PRO A 112 -10.681 -2.633 13.480 1.00 0.00 C ATOM 1709 CD PRO A 112 -9.693 -2.866 12.359 1.00 0.00 C ATOM 0 HA PRO A 112 -8.177 -0.533 14.064 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -10.490 -1.453 15.265 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -10.548 -0.511 13.788 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -10.745 -3.503 14.134 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -11.683 -2.454 13.089 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -9.606 -3.925 12.116 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -9.995 -2.353 11.446 1.00 0.00 H new ATOM 1717 N LYS A 113 -6.987 -1.506 15.919 1.00 0.00 N ATOM 1718 CA LYS A 113 -6.235 -2.021 17.087 1.00 0.00 C ATOM 1719 C LYS A 113 -7.156 -2.242 18.311 1.00 0.00 C ATOM 1720 O LYS A 113 -6.832 -3.026 19.209 1.00 0.00 O ATOM 1721 CB LYS A 113 -5.040 -1.101 17.477 1.00 0.00 C ATOM 1722 CG LYS A 113 -5.400 0.365 17.867 1.00 0.00 C ATOM 1723 CD LYS A 113 -5.506 1.322 16.655 1.00 0.00 C ATOM 1724 CE LYS A 113 -4.152 1.513 15.952 1.00 0.00 C ATOM 1725 NZ LYS A 113 -4.252 2.398 14.765 1.00 0.00 N ATOM 0 H LYS A 113 -6.685 -0.581 15.613 1.00 0.00 H new ATOM 0 HA LYS A 113 -5.828 -2.985 16.781 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -4.514 -1.559 18.314 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -4.343 -1.072 16.640 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -6.348 0.366 18.404 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -4.644 0.745 18.554 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -6.231 0.927 15.944 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -5.881 2.290 16.989 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -3.436 1.935 16.657 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -3.764 0.541 15.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -3.632 2.039 14.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -5.235 2.414 14.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -3.960 3.362 15.025 1.00 0.00 H new ATOM 1739 N GLU A 114 -8.282 -1.507 18.346 1.00 0.00 N ATOM 1740 CA GLU A 114 -9.356 -1.709 19.341 1.00 0.00 C ATOM 1741 C GLU A 114 -9.979 -3.123 19.220 1.00 0.00 C ATOM 1742 O GLU A 114 -10.463 -3.681 20.211 1.00 0.00 O ATOM 1743 CB GLU A 114 -10.456 -0.597 19.229 1.00 0.00 C ATOM 1744 CG GLU A 114 -10.991 -0.306 17.793 1.00 0.00 C ATOM 1745 CD GLU A 114 -10.333 0.921 17.104 1.00 0.00 C ATOM 1746 OE1 GLU A 114 -9.160 0.834 16.677 1.00 0.00 O ATOM 1747 OE2 GLU A 114 -10.990 1.981 16.993 1.00 0.00 O ATOM 0 H GLU A 114 -8.475 -0.755 17.685 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.903 -1.629 20.329 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -11.299 -0.883 19.858 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -10.052 0.329 19.639 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -10.829 -1.187 17.172 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -12.068 -0.145 17.844 1.00 0.00 H new ATOM 1754 N ASP A 115 -9.961 -3.690 17.999 1.00 0.00 N ATOM 1755 CA ASP A 115 -10.422 -5.074 17.732 1.00 0.00 C ATOM 1756 C ASP A 115 -9.241 -6.053 17.579 1.00 0.00 C ATOM 1757 O ASP A 115 -9.408 -7.247 17.804 1.00 0.00 O ATOM 1758 CB ASP A 115 -11.302 -5.113 16.456 1.00 0.00 C ATOM 1759 CG ASP A 115 -12.610 -4.327 16.618 1.00 0.00 C ATOM 1760 OD1 ASP A 115 -12.617 -3.099 16.383 1.00 0.00 O ATOM 1761 OD2 ASP A 115 -13.633 -4.927 17.013 1.00 0.00 O ATOM 0 H ASP A 115 -9.627 -3.205 17.166 1.00 0.00 H new ATOM 0 HA ASP A 115 -11.012 -5.390 18.592 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -10.738 -4.704 15.617 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -11.533 -6.149 16.210 1.00 0.00 H new ATOM 1766 N PHE A 116 -8.047 -5.547 17.221 1.00 0.00 N ATOM 1767 CA PHE A 116 -6.874 -6.386 16.884 1.00 0.00 C ATOM 1768 C PHE A 116 -5.702 -6.137 17.847 1.00 0.00 C ATOM 1769 O PHE A 116 -5.287 -4.999 18.062 1.00 0.00 O ATOM 1770 CB PHE A 116 -6.415 -6.128 15.423 1.00 0.00 C ATOM 1771 CG PHE A 116 -7.314 -6.754 14.360 1.00 0.00 C ATOM 1772 CD1 PHE A 116 -7.119 -8.076 13.957 1.00 0.00 C ATOM 1773 CD2 PHE A 116 -8.345 -6.030 13.764 1.00 0.00 C ATOM 1774 CE1 PHE A 116 -7.923 -8.648 12.991 1.00 0.00 C ATOM 1775 CE2 PHE A 116 -9.149 -6.604 12.797 1.00 0.00 C ATOM 1776 CZ PHE A 116 -8.938 -7.913 12.410 1.00 0.00 C ATOM 0 H PHE A 116 -7.864 -4.546 17.156 1.00 0.00 H new ATOM 0 HA PHE A 116 -7.183 -7.426 16.985 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -6.368 -5.052 15.254 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -5.403 -6.514 15.299 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -6.329 -8.659 14.407 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -8.518 -5.006 14.062 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -7.758 -9.672 12.689 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -9.943 -6.029 12.344 1.00 0.00 H new ATOM 0 HZ PHE A 116 -9.566 -8.361 11.654 1.00 0.00 H new ATOM 1786 N PHE A 117 -5.149 -7.231 18.377 1.00 0.00 N ATOM 1787 CA PHE A 117 -3.932 -7.224 19.214 1.00 0.00 C ATOM 1788 C PHE A 117 -2.933 -8.236 18.632 1.00 0.00 C ATOM 1789 O PHE A 117 -3.321 -9.132 17.867 1.00 0.00 O ATOM 1790 CB PHE A 117 -4.275 -7.602 20.690 1.00 0.00 C ATOM 1791 CG PHE A 117 -4.758 -9.046 20.862 1.00 0.00 C ATOM 1792 CD1 PHE A 117 -6.074 -9.396 20.576 1.00 0.00 C ATOM 1793 CD2 PHE A 117 -3.883 -10.058 21.274 1.00 0.00 C ATOM 1794 CE1 PHE A 117 -6.496 -10.700 20.692 1.00 0.00 C ATOM 1795 CE2 PHE A 117 -4.314 -11.361 21.391 1.00 0.00 C ATOM 1796 CZ PHE A 117 -5.619 -11.680 21.098 1.00 0.00 C ATOM 0 H PHE A 117 -5.535 -8.165 18.238 1.00 0.00 H new ATOM 0 HA PHE A 117 -3.498 -6.224 19.214 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -3.391 -7.448 21.309 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -5.045 -6.925 21.059 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -6.772 -8.635 20.259 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -2.856 -9.814 21.503 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -7.520 -10.956 20.463 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -3.628 -12.131 21.712 1.00 0.00 H new ATOM 0 HZ PHE A 117 -5.957 -12.702 21.187 1.00 0.00 H new ATOM 1806 N HIS A 118 -1.655 -8.113 19.012 1.00 0.00 N ATOM 1807 CA HIS A 118 -0.630 -9.093 18.640 1.00 0.00 C ATOM 1808 C HIS A 118 -0.547 -10.184 19.725 1.00 0.00 C ATOM 1809 O HIS A 118 -0.254 -9.891 20.890 1.00 0.00 O ATOM 1810 CB HIS A 118 0.745 -8.409 18.432 1.00 0.00 C ATOM 1811 CG HIS A 118 1.806 -9.350 17.925 1.00 0.00 C ATOM 1812 ND1 HIS A 118 1.899 -9.652 16.586 1.00 0.00 N ATOM 1813 CD2 HIS A 118 2.737 -10.064 18.608 1.00 0.00 C ATOM 1814 CE1 HIS A 118 2.867 -10.534 16.497 1.00 0.00 C ATOM 1815 NE2 HIS A 118 3.402 -10.814 17.688 1.00 0.00 N ATOM 0 H HIS A 118 -1.306 -7.340 19.579 1.00 0.00 H new ATOM 0 HA HIS A 118 -0.908 -9.555 17.693 1.00 0.00 H new ATOM 0 HB2 HIS A 118 0.631 -7.586 17.726 1.00 0.00 H new ATOM 0 HB3 HIS A 118 1.074 -7.976 19.376 1.00 0.00 H new ATOM 0 HD2 HIS A 118 2.915 -10.041 19.673 1.00 0.00 H new ATOM 0 HE1 HIS A 118 3.193 -10.981 15.569 1.00 0.00 H new ATOM 0 HE2 HIS A 118 4.164 -11.466 17.873 1.00 0.00 H new ATOM 1823 N CYS A 119 -0.837 -11.435 19.329 1.00 0.00 N ATOM 1824 CA CYS A 119 -0.703 -12.610 20.207 1.00 0.00 C ATOM 1825 C CYS A 119 0.808 -12.912 20.378 1.00 0.00 C ATOM 1826 O CYS A 119 1.495 -13.197 19.386 1.00 0.00 O ATOM 1827 CB CYS A 119 -1.477 -13.810 19.591 1.00 0.00 C ATOM 1828 SG CYS A 119 -1.690 -15.256 20.684 1.00 0.00 S ATOM 0 H CYS A 119 -1.171 -11.660 18.392 1.00 0.00 H new ATOM 0 HA CYS A 119 -1.133 -12.422 21.191 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -2.463 -13.463 19.281 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -0.955 -14.132 18.690 1.00 0.00 H new ATOM 0 HG CYS A 119 -2.350 -16.182 20.055 1.00 0.00 H new ATOM 1833 N LEU A 120 1.316 -12.777 21.618 1.00 0.00 N ATOM 1834 CA LEU A 120 2.762 -12.851 21.937 1.00 0.00 C ATOM 1835 C LEU A 120 3.256 -14.314 21.875 1.00 0.00 C ATOM 1836 O LEU A 120 2.666 -15.189 22.508 1.00 0.00 O ATOM 1837 CB LEU A 120 3.008 -12.195 23.341 1.00 0.00 C ATOM 1838 CG LEU A 120 4.496 -11.973 23.825 1.00 0.00 C ATOM 1839 CD1 LEU A 120 5.142 -13.250 24.419 1.00 0.00 C ATOM 1840 CD2 LEU A 120 5.372 -11.376 22.694 1.00 0.00 C ATOM 0 H LEU A 120 0.731 -12.612 22.437 1.00 0.00 H new ATOM 0 HA LEU A 120 3.339 -12.297 21.197 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.511 -11.225 23.344 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.507 -12.812 24.087 1.00 0.00 H new ATOM 0 HG LEU A 120 4.445 -11.250 24.639 1.00 0.00 H new ATOM 0 HD11 LEU A 120 6.163 -13.030 24.732 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.563 -13.584 25.280 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.156 -14.036 23.664 1.00 0.00 H new ATOM 0 HD21 LEU A 120 6.390 -11.235 23.058 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.382 -12.057 21.843 1.00 0.00 H new ATOM 0 HD23 LEU A 120 4.961 -10.415 22.384 1.00 0.00 H new ATOM 1852 N LYS A 121 4.376 -14.524 21.146 1.00 0.00 N ATOM 1853 CA LYS A 121 4.945 -15.851 20.810 1.00 0.00 C ATOM 1854 C LYS A 121 3.946 -16.622 19.911 1.00 0.00 C ATOM 1855 O LYS A 121 3.295 -17.589 20.338 1.00 0.00 O ATOM 1856 CB LYS A 121 5.364 -16.651 22.090 1.00 0.00 C ATOM 1857 CG LYS A 121 6.218 -17.915 21.833 1.00 0.00 C ATOM 1858 CD LYS A 121 7.577 -17.594 21.159 1.00 0.00 C ATOM 1859 CE LYS A 121 8.426 -18.855 20.904 1.00 0.00 C ATOM 1860 NZ LYS A 121 9.699 -18.551 20.197 1.00 0.00 N ATOM 0 H LYS A 121 4.925 -13.754 20.764 1.00 0.00 H new ATOM 0 HA LYS A 121 5.869 -15.714 20.248 1.00 0.00 H new ATOM 0 HB2 LYS A 121 5.921 -15.984 22.748 1.00 0.00 H new ATOM 0 HB3 LYS A 121 4.461 -16.946 22.625 1.00 0.00 H new ATOM 0 HG2 LYS A 121 6.398 -18.425 22.779 1.00 0.00 H new ATOM 0 HG3 LYS A 121 5.658 -18.604 21.201 1.00 0.00 H new ATOM 0 HD2 LYS A 121 7.397 -17.084 20.212 1.00 0.00 H new ATOM 0 HD3 LYS A 121 8.138 -16.905 21.791 1.00 0.00 H new ATOM 0 HE2 LYS A 121 8.649 -19.338 21.856 1.00 0.00 H new ATOM 0 HE3 LYS A 121 7.847 -19.566 20.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 10.233 -19.431 20.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 9.489 -18.115 19.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 10.266 -17.894 20.770 1.00 0.00 H new ATOM 1874 N CYS A 122 3.823 -16.139 18.654 1.00 0.00 N ATOM 1875 CA CYS A 122 2.761 -16.556 17.713 1.00 0.00 C ATOM 1876 C CYS A 122 3.007 -15.893 16.344 1.00 0.00 C ATOM 1877 O CYS A 122 2.781 -16.501 15.296 1.00 0.00 O ATOM 1878 CB CYS A 122 1.368 -16.137 18.264 1.00 0.00 C ATOM 1879 SG CYS A 122 -0.003 -17.266 17.907 1.00 0.00 S ATOM 0 H CYS A 122 4.461 -15.446 18.263 1.00 0.00 H new ATOM 0 HA CYS A 122 2.781 -17.640 17.600 1.00 0.00 H new ATOM 0 HB2 CYS A 122 1.447 -16.024 19.345 1.00 0.00 H new ATOM 0 HB3 CYS A 122 1.119 -15.156 17.858 1.00 0.00 H new ATOM 0 HG CYS A 122 -1.005 -16.993 18.689 1.00 0.00 H new ATOM 1884 N ASN A 123 3.434 -14.601 16.404 1.00 0.00 N ATOM 1885 CA ASN A 123 3.802 -13.755 15.232 1.00 0.00 C ATOM 1886 C ASN A 123 2.571 -13.379 14.377 1.00 0.00 C ATOM 1887 O ASN A 123 2.698 -13.002 13.208 1.00 0.00 O ATOM 1888 CB ASN A 123 4.940 -14.404 14.380 1.00 0.00 C ATOM 1889 CG ASN A 123 6.263 -14.563 15.149 1.00 0.00 C ATOM 1890 OD1 ASN A 123 6.277 -14.758 16.367 1.00 0.00 O ATOM 1891 ND2 ASN A 123 7.386 -14.470 14.450 1.00 0.00 N ATOM 0 H ASN A 123 3.534 -14.106 17.290 1.00 0.00 H new ATOM 0 HA ASN A 123 4.200 -12.821 15.627 1.00 0.00 H new ATOM 0 HB2 ASN A 123 4.610 -15.383 14.032 1.00 0.00 H new ATOM 0 HB3 ASN A 123 5.114 -13.793 13.494 1.00 0.00 H new ATOM 0 HD21 ASN A 123 8.287 -14.560 14.919 1.00 0.00 H new ATOM 0 HD22 ASN A 123 7.348 -14.308 13.444 1.00 0.00 H new ATOM 1898 N LEU A 124 1.386 -13.396 15.018 1.00 0.00 N ATOM 1899 CA LEU A 124 0.082 -13.147 14.360 1.00 0.00 C ATOM 1900 C LEU A 124 -0.708 -12.054 15.122 1.00 0.00 C ATOM 1901 O LEU A 124 -0.462 -11.811 16.314 1.00 0.00 O ATOM 1902 CB LEU A 124 -0.734 -14.474 14.310 1.00 0.00 C ATOM 1903 CG LEU A 124 -0.063 -15.679 13.563 1.00 0.00 C ATOM 1904 CD1 LEU A 124 -0.859 -16.988 13.767 1.00 0.00 C ATOM 1905 CD2 LEU A 124 0.123 -15.379 12.055 1.00 0.00 C ATOM 0 H LEU A 124 1.303 -13.585 16.017 1.00 0.00 H new ATOM 0 HA LEU A 124 0.255 -12.794 13.343 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.947 -14.783 15.333 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.692 -14.268 13.833 1.00 0.00 H new ATOM 0 HG LEU A 124 0.925 -15.817 14.002 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -0.365 -17.801 13.235 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -0.904 -17.224 14.830 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -1.870 -16.863 13.380 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.591 -16.235 11.569 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -0.849 -15.189 11.599 1.00 0.00 H new ATOM 0 HD23 LEU A 124 0.758 -14.502 11.934 1.00 0.00 H new ATOM 1917 N CYS A 125 -1.664 -11.403 14.423 1.00 0.00 N ATOM 1918 CA CYS A 125 -2.544 -10.351 15.000 1.00 0.00 C ATOM 1919 C CYS A 125 -4.032 -10.743 14.837 1.00 0.00 C ATOM 1920 O CYS A 125 -4.544 -10.809 13.717 1.00 0.00 O ATOM 1921 CB CYS A 125 -2.244 -8.969 14.358 1.00 0.00 C ATOM 1922 SG CYS A 125 -1.035 -7.976 15.292 1.00 0.00 S ATOM 0 H CYS A 125 -1.851 -11.590 13.438 1.00 0.00 H new ATOM 0 HA CYS A 125 -2.336 -10.268 16.067 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -1.871 -9.122 13.345 1.00 0.00 H new ATOM 0 HB3 CYS A 125 -3.174 -8.408 14.273 1.00 0.00 H new ATOM 0 HG CYS A 125 -0.054 -8.737 15.678 1.00 0.00 H new ATOM 1927 N LEU A 126 -4.713 -11.007 15.980 1.00 0.00 N ATOM 1928 CA LEU A 126 -6.080 -11.591 16.015 1.00 0.00 C ATOM 1929 C LEU A 126 -7.085 -10.653 16.705 1.00 0.00 C ATOM 1930 O LEU A 126 -6.704 -9.618 17.258 1.00 0.00 O ATOM 1931 CB LEU A 126 -6.074 -12.974 16.744 1.00 0.00 C ATOM 1932 CG LEU A 126 -5.317 -14.148 16.037 1.00 0.00 C ATOM 1933 CD1 LEU A 126 -5.748 -14.288 14.561 1.00 0.00 C ATOM 1934 CD2 LEU A 126 -3.784 -14.020 16.175 1.00 0.00 C ATOM 0 H LEU A 126 -4.330 -10.821 16.907 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.393 -11.728 14.980 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.635 -12.834 17.732 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.109 -13.281 16.896 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.601 -15.066 16.551 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -5.204 -15.112 14.100 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -6.818 -14.488 14.512 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -5.527 -13.363 14.028 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -3.302 -14.857 15.669 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -3.455 -13.084 15.723 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -3.512 -14.029 17.230 1.00 0.00 H new ATOM 1946 N ALA A 127 -8.370 -11.074 16.691 1.00 0.00 N ATOM 1947 CA ALA A 127 -9.494 -10.307 17.258 1.00 0.00 C ATOM 1948 C ALA A 127 -9.593 -10.500 18.785 1.00 0.00 C ATOM 1949 O ALA A 127 -9.158 -11.525 19.312 1.00 0.00 O ATOM 1950 CB ALA A 127 -10.804 -10.722 16.571 1.00 0.00 C ATOM 0 H ALA A 127 -8.655 -11.964 16.281 1.00 0.00 H new ATOM 0 HA ALA A 127 -9.315 -9.247 17.075 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -11.632 -10.153 16.993 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -10.733 -10.522 15.502 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -10.977 -11.786 16.730 1.00 0.00 H new ATOM 1956 N MET A 128 -10.191 -9.513 19.478 1.00 0.00 N ATOM 1957 CA MET A 128 -10.335 -9.513 20.957 1.00 0.00 C ATOM 1958 C MET A 128 -11.250 -10.656 21.456 1.00 0.00 C ATOM 1959 O MET A 128 -11.118 -11.091 22.596 1.00 0.00 O ATOM 1960 CB MET A 128 -10.882 -8.146 21.451 1.00 0.00 C ATOM 1961 CG MET A 128 -9.991 -6.942 21.122 1.00 0.00 C ATOM 1962 SD MET A 128 -8.360 -7.030 21.900 1.00 0.00 S ATOM 1963 CE MET A 128 -7.589 -5.521 21.301 1.00 0.00 C ATOM 0 H MET A 128 -10.591 -8.688 19.032 1.00 0.00 H new ATOM 0 HA MET A 128 -9.341 -9.679 21.373 1.00 0.00 H new ATOM 0 HB2 MET A 128 -11.866 -7.983 21.011 1.00 0.00 H new ATOM 0 HB3 MET A 128 -11.020 -8.194 22.531 1.00 0.00 H new ATOM 0 HG2 MET A 128 -9.868 -6.874 20.041 1.00 0.00 H new ATOM 0 HG3 MET A 128 -10.491 -6.029 21.444 1.00 0.00 H new ATOM 0 HE1 MET A 128 -6.629 -5.381 21.797 1.00 0.00 H new ATOM 0 HE2 MET A 128 -7.434 -5.594 20.225 1.00 0.00 H new ATOM 0 HE3 MET A 128 -8.236 -4.671 21.517 1.00 0.00 H new