USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 834 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 THR OG1 : rot -31:sc= 0.38! USER MOD Set 1.2: A 80 HIS : +bothHN:sc= -7.48! C(o=-7.3!,f=-22!) USER MOD Set 1.3: A 102 HIS :FLIP no HD1:sc= -0.191 F(o=-11,f=-7.3) USER MOD Set 2.1: A 44 CYS SG : rot 60:sc= 0.867 USER MOD Set 2.2: A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 22 THR OG1 : rot -160:sc= -0.326 USER MOD Set 3.2: A 25 ASN : amide:sc= -0.0237 K(o=-0.35,f=-1) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 47 TYR OH : rot -173:sc= -1.24 USER MOD Single : A 49 CYS SG : rot -14:sc= -11.7! USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -110:sc= 0.0421 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.374 K(o=-0.37,f=-5!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 75 ASN : amide:sc= -6.3! C(o=-6.3!,f=-8.7!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.0985 X(o=-0.099,f=-0.44) USER MOD Single : A 95 ASN : amide:sc= 0.0141 X(o=0.014,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -0.365 K(o=-0.36,f=-1.6) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot -159:sc= -8.67! USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot -3:sc= 1.17 USER MOD Single : A 126 HIS :FLIP no HD1:sc= -1.05 F(o=-2.1!,f=-1.1) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 258 N PRO A 21 0.612 8.758 6.586 1.00 0.00 N ATOM 259 CA PRO A 21 0.647 7.762 5.529 1.00 0.00 C ATOM 260 C PRO A 21 -0.090 6.489 5.951 1.00 0.00 C ATOM 261 O PRO A 21 0.498 5.409 5.987 1.00 0.00 O ATOM 262 CB PRO A 21 2.124 7.529 5.256 1.00 0.00 C ATOM 263 CG PRO A 21 2.861 8.052 6.478 1.00 0.00 C ATOM 264 CD PRO A 21 1.885 8.890 7.288 1.00 0.00 C ATOM 0 HA PRO A 21 0.135 8.091 4.625 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.330 6.470 5.099 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.442 8.053 4.354 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.242 7.225 7.077 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.721 8.651 6.178 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.811 8.530 8.314 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.204 9.931 7.338 1.00 0.00 H new ATOM 272 N THR A 22 -1.367 6.659 6.261 1.00 0.00 N ATOM 273 CA THR A 22 -2.191 5.537 6.680 1.00 0.00 C ATOM 274 C THR A 22 -3.237 5.215 5.610 1.00 0.00 C ATOM 275 O THR A 22 -3.636 6.091 4.844 1.00 0.00 O ATOM 276 CB THR A 22 -2.799 5.879 8.041 1.00 0.00 C ATOM 277 OG1 THR A 22 -3.181 7.247 7.917 1.00 0.00 O ATOM 278 CG2 THR A 22 -1.759 5.883 9.163 1.00 0.00 C ATOM 0 H THR A 22 -1.851 7.556 6.231 1.00 0.00 H new ATOM 0 HA THR A 22 -1.597 4.630 6.793 1.00 0.00 H new ATOM 0 HB THR A 22 -3.585 5.162 8.277 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.283 7.640 8.809 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.243 6.132 10.107 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.301 4.897 9.239 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.990 6.624 8.944 1.00 0.00 H new ATOM 286 N LEU A 23 -3.652 3.957 5.594 1.00 0.00 N ATOM 287 CA LEU A 23 -4.644 3.509 4.631 1.00 0.00 C ATOM 288 C LEU A 23 -5.841 4.463 4.657 1.00 0.00 C ATOM 289 O LEU A 23 -6.253 4.976 3.618 1.00 0.00 O ATOM 290 CB LEU A 23 -5.017 2.048 4.887 1.00 0.00 C ATOM 291 CG LEU A 23 -5.234 1.183 3.643 1.00 0.00 C ATOM 292 CD1 LEU A 23 -5.689 2.035 2.456 1.00 0.00 C ATOM 293 CD2 LEU A 23 -3.982 0.368 3.316 1.00 0.00 C ATOM 0 H LEU A 23 -3.320 3.234 6.232 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.235 3.537 3.621 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.230 1.593 5.489 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.929 2.026 5.484 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.033 0.473 3.856 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.836 1.396 1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.627 2.533 2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.929 2.784 2.233 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.164 -0.237 2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.147 1.043 3.130 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.742 -0.283 4.156 1.00 0.00 H new ATOM 305 N GLU A 24 -6.365 4.671 5.856 1.00 0.00 N ATOM 306 CA GLU A 24 -7.506 5.553 6.031 1.00 0.00 C ATOM 307 C GLU A 24 -7.195 6.941 5.466 1.00 0.00 C ATOM 308 O GLU A 24 -8.105 7.728 5.210 1.00 0.00 O ATOM 309 CB GLU A 24 -7.911 5.640 7.504 1.00 0.00 C ATOM 310 CG GLU A 24 -8.606 4.355 7.958 1.00 0.00 C ATOM 311 CD GLU A 24 -7.838 3.690 9.102 1.00 0.00 C ATOM 312 OE1 GLU A 24 -7.412 4.438 10.009 1.00 0.00 O ATOM 313 OE2 GLU A 24 -7.694 2.450 9.045 1.00 0.00 O ATOM 0 H GLU A 24 -6.020 4.244 6.716 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.350 5.137 5.480 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.028 5.816 8.118 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.577 6.490 7.652 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.622 4.582 8.281 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.685 3.664 7.119 1.00 0.00 H new ATOM 320 N ASN A 25 -5.908 7.197 5.286 1.00 0.00 N ATOM 321 CA ASN A 25 -5.466 8.476 4.756 1.00 0.00 C ATOM 322 C ASN A 25 -4.601 8.237 3.516 1.00 0.00 C ATOM 323 O ASN A 25 -3.484 8.744 3.428 1.00 0.00 O ATOM 324 CB ASN A 25 -4.624 9.236 5.781 1.00 0.00 C ATOM 325 CG ASN A 25 -5.449 9.579 7.023 1.00 0.00 C ATOM 326 OD1 ASN A 25 -6.655 9.758 6.969 1.00 0.00 O ATOM 327 ND2 ASN A 25 -4.735 9.660 8.142 1.00 0.00 N ATOM 0 H ASN A 25 -5.157 6.541 5.498 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.351 9.064 4.511 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.762 8.633 6.068 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.238 10.151 5.333 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.194 9.884 9.025 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.728 9.499 8.117 1.00 0.00 H new ATOM 334 N LEU A 26 -5.150 7.465 2.590 1.00 0.00 N ATOM 335 CA LEU A 26 -4.442 7.153 1.360 1.00 0.00 C ATOM 336 C LEU A 26 -4.626 8.301 0.366 1.00 0.00 C ATOM 337 O LEU A 26 -3.678 8.701 -0.308 1.00 0.00 O ATOM 338 CB LEU A 26 -4.885 5.793 0.817 1.00 0.00 C ATOM 339 CG LEU A 26 -3.766 4.860 0.352 1.00 0.00 C ATOM 340 CD1 LEU A 26 -4.250 3.941 -0.772 1.00 0.00 C ATOM 341 CD2 LEU A 26 -2.522 5.654 -0.052 1.00 0.00 C ATOM 0 H LEU A 26 -6.077 7.046 2.667 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.372 7.062 1.549 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.457 5.283 1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.562 5.961 -0.020 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.483 4.223 1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.435 3.288 -1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.083 3.336 -0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.577 4.544 -1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.742 4.967 -0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.772 6.332 -0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.164 6.229 0.802 1.00 0.00 H new ATOM 353 N GLU A 27 -5.852 8.800 0.306 1.00 0.00 N ATOM 354 CA GLU A 27 -6.172 9.894 -0.594 1.00 0.00 C ATOM 355 C GLU A 27 -5.468 11.175 -0.143 1.00 0.00 C ATOM 356 O GLU A 27 -5.006 11.958 -0.972 1.00 0.00 O ATOM 357 CB GLU A 27 -7.685 10.103 -0.687 1.00 0.00 C ATOM 358 CG GLU A 27 -8.375 8.866 -1.265 1.00 0.00 C ATOM 359 CD GLU A 27 -9.635 9.254 -2.041 1.00 0.00 C ATOM 360 OE1 GLU A 27 -10.258 10.262 -1.644 1.00 0.00 O ATOM 361 OE2 GLU A 27 -9.947 8.533 -3.013 1.00 0.00 O ATOM 0 H GLU A 27 -6.636 8.466 0.867 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.812 9.636 -1.590 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.087 10.319 0.303 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.898 10.969 -1.314 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.687 8.336 -1.923 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.637 8.181 -0.459 1.00 0.00 H new ATOM 368 N ASN A 28 -5.408 11.350 1.169 1.00 0.00 N ATOM 369 CA ASN A 28 -4.768 12.523 1.739 1.00 0.00 C ATOM 370 C ASN A 28 -3.324 12.180 2.111 1.00 0.00 C ATOM 371 O ASN A 28 -2.851 12.550 3.184 1.00 0.00 O ATOM 372 CB ASN A 28 -5.488 12.979 3.010 1.00 0.00 C ATOM 373 CG ASN A 28 -6.663 13.898 2.675 1.00 0.00 C ATOM 374 OD1 ASN A 28 -6.616 15.103 2.861 1.00 0.00 O ATOM 375 ND2 ASN A 28 -7.719 13.265 2.171 1.00 0.00 N ATOM 0 H ASN A 28 -5.792 10.699 1.854 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.804 13.321 0.998 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.847 12.109 3.560 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.787 13.501 3.661 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.555 13.791 1.915 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.693 12.254 2.041 1.00 0.00 H new ATOM 382 N LEU A 29 -2.664 11.478 1.202 1.00 0.00 N ATOM 383 CA LEU A 29 -1.283 11.081 1.421 1.00 0.00 C ATOM 384 C LEU A 29 -0.366 11.941 0.548 1.00 0.00 C ATOM 385 O LEU A 29 -0.816 12.545 -0.425 1.00 0.00 O ATOM 386 CB LEU A 29 -1.115 9.578 1.195 1.00 0.00 C ATOM 387 CG LEU A 29 0.323 9.080 1.036 1.00 0.00 C ATOM 388 CD1 LEU A 29 1.058 9.088 2.378 1.00 0.00 C ATOM 389 CD2 LEU A 29 0.356 7.701 0.372 1.00 0.00 C ATOM 0 H LEU A 29 -3.059 11.174 0.312 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.995 11.257 2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.570 9.052 2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.675 9.300 0.302 1.00 0.00 H new ATOM 0 HG LEU A 29 0.851 9.768 0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.078 8.730 2.237 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.082 10.103 2.774 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.539 8.437 3.081 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.390 7.370 0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.194 6.988 0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.104 7.761 -0.614 1.00 0.00 H new ATOM 401 N ASP A 30 0.903 11.968 0.927 1.00 0.00 N ATOM 402 CA ASP A 30 1.888 12.743 0.191 1.00 0.00 C ATOM 403 C ASP A 30 3.066 11.841 -0.181 1.00 0.00 C ATOM 404 O ASP A 30 4.099 11.855 0.487 1.00 0.00 O ATOM 405 CB ASP A 30 2.425 13.898 1.039 1.00 0.00 C ATOM 406 CG ASP A 30 3.489 14.761 0.357 1.00 0.00 C ATOM 407 OD1 ASP A 30 3.547 14.708 -0.891 1.00 0.00 O ATOM 408 OD2 ASP A 30 4.219 15.453 1.098 1.00 0.00 O ATOM 0 H ASP A 30 1.272 11.466 1.734 1.00 0.00 H new ATOM 0 HA ASP A 30 1.405 13.144 -0.700 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.590 14.537 1.326 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.845 13.489 1.958 1.00 0.00 H new ATOM 413 N VAL A 31 2.872 11.079 -1.247 1.00 0.00 N ATOM 414 CA VAL A 31 3.906 10.172 -1.717 1.00 0.00 C ATOM 415 C VAL A 31 5.199 10.956 -1.948 1.00 0.00 C ATOM 416 O VAL A 31 6.287 10.382 -1.942 1.00 0.00 O ATOM 417 CB VAL A 31 3.425 9.431 -2.966 1.00 0.00 C ATOM 418 CG1 VAL A 31 3.131 10.409 -4.104 1.00 0.00 C ATOM 419 CG2 VAL A 31 4.440 8.372 -3.401 1.00 0.00 C ATOM 0 H VAL A 31 2.014 11.071 -1.799 1.00 0.00 H new ATOM 0 HA VAL A 31 4.117 9.411 -0.966 1.00 0.00 H new ATOM 0 HB VAL A 31 2.495 8.920 -2.715 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.791 9.856 -4.980 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.355 11.108 -3.792 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.037 10.961 -4.353 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.073 7.860 -4.291 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.393 8.852 -3.625 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.578 7.649 -2.597 1.00 0.00 H new ATOM 429 N SER A 32 5.038 12.256 -2.147 1.00 0.00 N ATOM 430 CA SER A 32 6.179 13.125 -2.380 1.00 0.00 C ATOM 431 C SER A 32 6.855 13.470 -1.051 1.00 0.00 C ATOM 432 O SER A 32 7.820 14.232 -1.021 1.00 0.00 O ATOM 433 CB SER A 32 5.758 14.403 -3.109 1.00 0.00 C ATOM 434 OG SER A 32 6.482 14.589 -4.322 1.00 0.00 O ATOM 0 H SER A 32 4.134 12.729 -2.152 1.00 0.00 H new ATOM 0 HA SER A 32 6.889 12.594 -3.014 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.691 14.361 -3.327 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.917 15.262 -2.457 1.00 0.00 H new ATOM 0 HG SER A 32 6.183 15.414 -4.758 1.00 0.00 H new ATOM 440 N ALA A 33 6.321 12.892 0.015 1.00 0.00 N ATOM 441 CA ALA A 33 6.860 13.128 1.343 1.00 0.00 C ATOM 442 C ALA A 33 7.898 12.052 1.666 1.00 0.00 C ATOM 443 O ALA A 33 8.961 12.352 2.208 1.00 0.00 O ATOM 444 CB ALA A 33 5.718 13.160 2.360 1.00 0.00 C ATOM 0 H ALA A 33 5.520 12.261 -0.014 1.00 0.00 H new ATOM 0 HA ALA A 33 7.362 14.094 1.387 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.123 13.337 3.356 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.024 13.960 2.103 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.192 12.205 2.347 1.00 0.00 H new ATOM 450 N PHE A 34 7.555 10.820 1.319 1.00 0.00 N ATOM 451 CA PHE A 34 8.444 9.697 1.565 1.00 0.00 C ATOM 452 C PHE A 34 9.855 9.993 1.054 1.00 0.00 C ATOM 453 O PHE A 34 10.032 10.388 -0.098 1.00 0.00 O ATOM 454 CB PHE A 34 7.877 8.501 0.798 1.00 0.00 C ATOM 455 CG PHE A 34 6.491 8.058 1.273 1.00 0.00 C ATOM 456 CD1 PHE A 34 6.290 7.737 2.579 1.00 0.00 C ATOM 457 CD2 PHE A 34 5.461 7.985 0.388 1.00 0.00 C ATOM 458 CE1 PHE A 34 5.004 7.326 3.019 1.00 0.00 C ATOM 459 CE2 PHE A 34 4.175 7.574 0.828 1.00 0.00 C ATOM 460 CZ PHE A 34 3.974 7.253 2.134 1.00 0.00 C ATOM 0 H PHE A 34 6.673 10.575 0.869 1.00 0.00 H new ATOM 0 HA PHE A 34 8.508 9.501 2.635 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.823 8.754 -0.261 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.567 7.662 0.891 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.108 7.795 3.281 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.621 8.240 -0.649 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.844 7.071 4.056 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.357 7.516 0.126 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.996 6.940 2.469 1.00 0.00 H new ATOM 470 N GLN A 35 10.824 9.792 1.935 1.00 0.00 N ATOM 471 CA GLN A 35 12.214 10.032 1.587 1.00 0.00 C ATOM 472 C GLN A 35 12.887 8.727 1.157 1.00 0.00 C ATOM 473 O GLN A 35 14.056 8.723 0.777 1.00 0.00 O ATOM 474 CB GLN A 35 12.966 10.679 2.752 1.00 0.00 C ATOM 475 CG GLN A 35 14.455 10.327 2.706 1.00 0.00 C ATOM 476 CD GLN A 35 15.235 11.106 3.767 1.00 0.00 C ATOM 477 OE1 GLN A 35 14.785 11.307 4.883 1.00 0.00 O ATOM 478 NE2 GLN A 35 16.427 11.531 3.358 1.00 0.00 N ATOM 0 H GLN A 35 10.674 9.465 2.890 1.00 0.00 H new ATOM 0 HA GLN A 35 12.244 10.726 0.747 1.00 0.00 H new ATOM 0 HB2 GLN A 35 12.843 11.761 2.713 1.00 0.00 H new ATOM 0 HB3 GLN A 35 12.538 10.344 3.697 1.00 0.00 H new ATOM 0 HG2 GLN A 35 14.585 9.257 2.867 1.00 0.00 H new ATOM 0 HG3 GLN A 35 14.855 10.551 1.717 1.00 0.00 H new ATOM 0 HE21 GLN A 35 16.743 11.328 2.410 1.00 0.00 H new ATOM 0 HE22 GLN A 35 17.025 12.060 3.993 1.00 0.00 H new ATOM 487 N ALA A 36 12.119 7.650 1.233 1.00 0.00 N ATOM 488 CA ALA A 36 12.626 6.341 0.856 1.00 0.00 C ATOM 489 C ALA A 36 13.420 6.462 -0.447 1.00 0.00 C ATOM 490 O ALA A 36 13.354 7.486 -1.125 1.00 0.00 O ATOM 491 CB ALA A 36 11.461 5.356 0.740 1.00 0.00 C ATOM 0 H ALA A 36 11.150 7.657 1.550 1.00 0.00 H new ATOM 0 HA ALA A 36 13.302 5.957 1.620 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.841 4.374 0.457 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.948 5.284 1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.762 5.707 -0.019 1.00 0.00 H new ATOM 497 N PRO A 37 14.171 5.374 -0.765 1.00 0.00 N ATOM 498 CA PRO A 37 14.976 5.349 -1.974 1.00 0.00 C ATOM 499 C PRO A 37 14.100 5.149 -3.212 1.00 0.00 C ATOM 500 O PRO A 37 12.939 4.759 -3.099 1.00 0.00 O ATOM 501 CB PRO A 37 15.970 4.218 -1.761 1.00 0.00 C ATOM 502 CG PRO A 37 15.389 3.356 -0.652 1.00 0.00 C ATOM 503 CD PRO A 37 14.273 4.144 0.015 1.00 0.00 C ATOM 0 HA PRO A 37 15.496 6.290 -2.153 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.105 3.640 -2.675 1.00 0.00 H new ATOM 0 HB3 PRO A 37 16.949 4.606 -1.481 1.00 0.00 H new ATOM 0 HG2 PRO A 37 15.006 2.420 -1.057 1.00 0.00 H new ATOM 0 HG3 PRO A 37 16.160 3.097 0.074 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.335 3.589 0.004 1.00 0.00 H new ATOM 0 HD3 PRO A 37 14.506 4.355 1.059 1.00 0.00 H new ATOM 511 N GLU A 38 14.690 5.426 -4.366 1.00 0.00 N ATOM 512 CA GLU A 38 13.977 5.282 -5.624 1.00 0.00 C ATOM 513 C GLU A 38 14.038 3.830 -6.106 1.00 0.00 C ATOM 514 O GLU A 38 13.551 3.511 -7.189 1.00 0.00 O ATOM 515 CB GLU A 38 14.536 6.234 -6.683 1.00 0.00 C ATOM 516 CG GLU A 38 13.826 7.589 -6.631 1.00 0.00 C ATOM 517 CD GLU A 38 12.957 7.800 -7.872 1.00 0.00 C ATOM 518 OE1 GLU A 38 12.239 6.842 -8.232 1.00 0.00 O ATOM 519 OE2 GLU A 38 13.029 8.915 -8.433 1.00 0.00 O ATOM 0 H GLU A 38 15.653 5.749 -4.456 1.00 0.00 H new ATOM 0 HA GLU A 38 12.933 5.547 -5.459 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.605 6.373 -6.524 1.00 0.00 H new ATOM 0 HB3 GLU A 38 14.416 5.794 -7.673 1.00 0.00 H new ATOM 0 HG2 GLU A 38 13.207 7.645 -5.735 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.564 8.388 -6.559 1.00 0.00 H new ATOM 526 N ASP A 39 14.641 2.991 -5.277 1.00 0.00 N ATOM 527 CA ASP A 39 14.772 1.581 -5.604 1.00 0.00 C ATOM 528 C ASP A 39 14.295 0.740 -4.419 1.00 0.00 C ATOM 529 O ASP A 39 14.620 -0.443 -4.321 1.00 0.00 O ATOM 530 CB ASP A 39 16.231 1.214 -5.887 1.00 0.00 C ATOM 531 CG ASP A 39 17.134 2.393 -6.255 1.00 0.00 C ATOM 532 OD1 ASP A 39 17.001 2.875 -7.401 1.00 0.00 O ATOM 533 OD2 ASP A 39 17.937 2.786 -5.382 1.00 0.00 O ATOM 0 H ASP A 39 15.044 3.260 -4.380 1.00 0.00 H new ATOM 0 HA ASP A 39 14.171 1.384 -6.492 1.00 0.00 H new ATOM 0 HB2 ASP A 39 16.643 0.721 -5.007 1.00 0.00 H new ATOM 0 HB3 ASP A 39 16.256 0.489 -6.700 1.00 0.00 H new ATOM 538 N LEU A 40 13.532 1.383 -3.547 1.00 0.00 N ATOM 539 CA LEU A 40 13.006 0.709 -2.372 1.00 0.00 C ATOM 540 C LEU A 40 12.546 -0.698 -2.760 1.00 0.00 C ATOM 541 O LEU A 40 13.070 -1.688 -2.252 1.00 0.00 O ATOM 542 CB LEU A 40 11.914 1.554 -1.714 1.00 0.00 C ATOM 543 CG LEU A 40 11.285 0.968 -0.448 1.00 0.00 C ATOM 544 CD1 LEU A 40 12.330 0.797 0.656 1.00 0.00 C ATOM 545 CD2 LEU A 40 10.095 1.812 0.014 1.00 0.00 C ATOM 0 H LEU A 40 13.265 2.364 -3.631 1.00 0.00 H new ATOM 0 HA LEU A 40 13.785 0.593 -1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 40 12.335 2.529 -1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.123 1.723 -2.445 1.00 0.00 H new ATOM 0 HG LEU A 40 10.903 -0.025 -0.685 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.856 0.379 1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 40 13.115 0.123 0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.765 1.767 0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.666 1.374 0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.430 2.827 0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.340 1.837 -0.772 1.00 0.00 H new ATOM 557 N LEU A 41 11.571 -0.741 -3.656 1.00 0.00 N ATOM 558 CA LEU A 41 11.034 -2.010 -4.117 1.00 0.00 C ATOM 559 C LEU A 41 11.719 -2.403 -5.428 1.00 0.00 C ATOM 560 O LEU A 41 11.065 -2.864 -6.361 1.00 0.00 O ATOM 561 CB LEU A 41 9.509 -1.942 -4.218 1.00 0.00 C ATOM 562 CG LEU A 41 8.812 -1.012 -3.222 1.00 0.00 C ATOM 563 CD1 LEU A 41 7.651 -0.268 -3.887 1.00 0.00 C ATOM 564 CD2 LEU A 41 8.363 -1.779 -1.977 1.00 0.00 C ATOM 0 H LEU A 41 11.139 0.083 -4.075 1.00 0.00 H new ATOM 0 HA LEU A 41 11.248 -2.798 -3.395 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.245 -1.625 -5.227 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.111 -2.948 -4.086 1.00 0.00 H new ATOM 0 HG LEU A 41 9.531 -0.261 -2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.173 0.386 -3.158 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.029 0.329 -4.717 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.923 -0.989 -4.260 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.871 -1.095 -1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.666 -2.566 -2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.231 -2.224 -1.491 1.00 0.00 H new ATOM 576 N ASP A 42 13.029 -2.205 -5.455 1.00 0.00 N ATOM 577 CA ASP A 42 13.811 -2.533 -6.636 1.00 0.00 C ATOM 578 C ASP A 42 13.504 -3.970 -7.062 1.00 0.00 C ATOM 579 O ASP A 42 13.517 -4.882 -6.238 1.00 0.00 O ATOM 580 CB ASP A 42 15.310 -2.435 -6.348 1.00 0.00 C ATOM 581 CG ASP A 42 16.206 -3.216 -7.312 1.00 0.00 C ATOM 582 OD1 ASP A 42 15.946 -3.120 -8.531 1.00 0.00 O ATOM 583 OD2 ASP A 42 17.130 -3.890 -6.809 1.00 0.00 O ATOM 0 H ASP A 42 13.569 -1.822 -4.679 1.00 0.00 H new ATOM 0 HA ASP A 42 13.548 -1.826 -7.422 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.602 -1.385 -6.374 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.494 -2.792 -5.335 1.00 0.00 H new ATOM 588 N GLY A 43 13.235 -4.126 -8.350 1.00 0.00 N ATOM 589 CA GLY A 43 12.925 -5.436 -8.896 1.00 0.00 C ATOM 590 C GLY A 43 11.913 -6.172 -8.016 1.00 0.00 C ATOM 591 O GLY A 43 12.061 -7.366 -7.758 1.00 0.00 O ATOM 0 H GLY A 43 13.225 -3.367 -9.031 1.00 0.00 H new ATOM 0 HA2 GLY A 43 12.525 -5.328 -9.904 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.838 -6.025 -8.977 1.00 0.00 H new ATOM 595 N CYS A 44 10.907 -5.429 -7.578 1.00 0.00 N ATOM 596 CA CYS A 44 9.871 -5.996 -6.731 1.00 0.00 C ATOM 597 C CYS A 44 8.527 -5.833 -7.443 1.00 0.00 C ATOM 598 O CYS A 44 7.992 -4.728 -7.522 1.00 0.00 O ATOM 599 CB CYS A 44 9.862 -5.356 -5.342 1.00 0.00 C ATOM 600 SG CYS A 44 11.462 -5.656 -4.504 1.00 0.00 S ATOM 0 H CYS A 44 10.787 -4.439 -7.794 1.00 0.00 H new ATOM 0 HA CYS A 44 10.070 -7.055 -6.569 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.682 -4.284 -5.428 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.047 -5.769 -4.747 1.00 0.00 H new ATOM 0 HG CYS A 44 12.424 -5.134 -5.206 1.00 0.00 H new ATOM 606 N ARG A 45 8.019 -6.950 -7.943 1.00 0.00 N ATOM 607 CA ARG A 45 6.747 -6.945 -8.646 1.00 0.00 C ATOM 608 C ARG A 45 5.596 -7.158 -7.661 1.00 0.00 C ATOM 609 O ARG A 45 5.433 -8.250 -7.118 1.00 0.00 O ATOM 610 CB ARG A 45 6.704 -8.039 -9.715 1.00 0.00 C ATOM 611 CG ARG A 45 7.737 -7.775 -10.812 1.00 0.00 C ATOM 612 CD ARG A 45 7.965 -9.026 -11.664 1.00 0.00 C ATOM 613 NE ARG A 45 9.406 -9.363 -11.692 1.00 0.00 N ATOM 614 CZ ARG A 45 10.330 -8.657 -12.358 1.00 0.00 C ATOM 615 NH1 ARG A 45 9.969 -7.571 -13.055 1.00 0.00 N ATOM 616 NH2 ARG A 45 11.614 -9.038 -12.327 1.00 0.00 N ATOM 0 H ARG A 45 8.465 -7.865 -7.875 1.00 0.00 H new ATOM 0 HA ARG A 45 6.640 -5.975 -9.131 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.896 -9.009 -9.256 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.707 -8.085 -10.153 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.398 -6.956 -11.446 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.679 -7.461 -10.362 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.395 -9.862 -11.258 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.603 -8.857 -12.678 1.00 0.00 H new ATOM 0 HE ARG A 45 9.715 -10.184 -11.172 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.991 -7.282 -13.079 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.672 -7.033 -13.562 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.888 -9.865 -11.797 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.318 -8.501 -12.834 1.00 0.00 H new ATOM 630 N ILE A 46 4.827 -6.098 -7.462 1.00 0.00 N ATOM 631 CA ILE A 46 3.695 -6.155 -6.552 1.00 0.00 C ATOM 632 C ILE A 46 2.399 -5.985 -7.346 1.00 0.00 C ATOM 633 O ILE A 46 2.373 -5.285 -8.357 1.00 0.00 O ATOM 634 CB ILE A 46 3.863 -5.136 -5.423 1.00 0.00 C ATOM 635 CG1 ILE A 46 5.284 -5.175 -4.856 1.00 0.00 C ATOM 636 CG2 ILE A 46 2.806 -5.343 -4.336 1.00 0.00 C ATOM 637 CD1 ILE A 46 5.957 -3.806 -4.970 1.00 0.00 C ATOM 0 H ILE A 46 4.965 -5.195 -7.915 1.00 0.00 H new ATOM 0 HA ILE A 46 3.646 -7.129 -6.066 1.00 0.00 H new ATOM 0 HB ILE A 46 3.709 -4.139 -5.836 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.254 -5.484 -3.811 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.873 -5.920 -5.392 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.948 -4.606 -3.546 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.812 -5.225 -4.768 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.904 -6.345 -3.919 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.965 -3.861 -4.560 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.007 -3.511 -6.018 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.379 -3.069 -4.413 1.00 0.00 H new ATOM 649 N TYR A 47 1.354 -6.638 -6.859 1.00 0.00 N ATOM 650 CA TYR A 47 0.057 -6.568 -7.511 1.00 0.00 C ATOM 651 C TYR A 47 -0.913 -5.697 -6.709 1.00 0.00 C ATOM 652 O TYR A 47 -1.247 -6.020 -5.570 1.00 0.00 O ATOM 653 CB TYR A 47 -0.475 -8.002 -7.547 1.00 0.00 C ATOM 654 CG TYR A 47 -1.817 -8.150 -8.266 1.00 0.00 C ATOM 655 CD1 TYR A 47 -2.953 -7.577 -7.731 1.00 0.00 C ATOM 656 CD2 TYR A 47 -1.893 -8.856 -9.449 1.00 0.00 C ATOM 657 CE1 TYR A 47 -4.217 -7.716 -8.408 1.00 0.00 C ATOM 658 CE2 TYR A 47 -3.156 -8.995 -10.126 1.00 0.00 C ATOM 659 CZ TYR A 47 -4.256 -8.418 -9.571 1.00 0.00 C ATOM 660 OH TYR A 47 -5.449 -8.549 -10.210 1.00 0.00 O ATOM 0 H TYR A 47 1.379 -7.218 -6.020 1.00 0.00 H new ATOM 0 HA TYR A 47 0.150 -6.132 -8.505 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.261 -8.639 -8.038 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.580 -8.365 -6.525 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.894 -7.024 -6.805 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.004 -9.305 -9.868 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.113 -7.272 -8.000 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.229 -9.545 -11.053 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.349 -9.165 -10.966 1.00 0.00 H new ATOM 670 N LEU A 48 -1.339 -4.611 -7.336 1.00 0.00 N ATOM 671 CA LEU A 48 -2.264 -3.691 -6.696 1.00 0.00 C ATOM 672 C LEU A 48 -3.693 -4.208 -6.871 1.00 0.00 C ATOM 673 O LEU A 48 -4.195 -4.290 -7.990 1.00 0.00 O ATOM 674 CB LEU A 48 -2.056 -2.269 -7.222 1.00 0.00 C ATOM 675 CG LEU A 48 -0.806 -1.544 -6.719 1.00 0.00 C ATOM 676 CD1 LEU A 48 -0.719 -0.133 -7.303 1.00 0.00 C ATOM 677 CD2 LEU A 48 -0.755 -1.536 -5.190 1.00 0.00 C ATOM 0 H LEU A 48 -1.061 -4.347 -8.281 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.071 -3.641 -5.624 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.016 -2.308 -8.311 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.929 -1.673 -6.956 1.00 0.00 H new ATOM 0 HG LEU A 48 0.070 -2.091 -7.067 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.178 0.361 -6.930 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.675 -0.191 -8.391 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.598 0.439 -7.005 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.143 -1.015 -4.859 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.636 -1.026 -4.799 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.736 -2.562 -4.821 1.00 0.00 H new ATOM 689 N CYS A 49 -4.308 -4.544 -5.746 1.00 0.00 N ATOM 690 CA CYS A 49 -5.670 -5.051 -5.760 1.00 0.00 C ATOM 691 C CYS A 49 -6.539 -4.119 -4.914 1.00 0.00 C ATOM 692 O CYS A 49 -6.021 -3.304 -4.151 1.00 0.00 O ATOM 693 CB CYS A 49 -5.739 -6.499 -5.269 1.00 0.00 C ATOM 694 SG CYS A 49 -4.638 -6.723 -3.825 1.00 0.00 S ATOM 0 H CYS A 49 -3.888 -4.475 -4.819 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.045 -5.065 -6.783 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -6.764 -6.751 -4.998 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -5.445 -7.178 -6.070 1.00 0.00 H new ATOM 0 HG CYS A 49 -3.839 -5.702 -3.726 1.00 0.00 H new ATOM 700 N GLY A 50 -7.845 -4.270 -5.077 1.00 0.00 N ATOM 701 CA GLY A 50 -8.791 -3.451 -4.337 1.00 0.00 C ATOM 702 C GLY A 50 -8.284 -2.014 -4.202 1.00 0.00 C ATOM 703 O GLY A 50 -8.185 -1.489 -3.094 1.00 0.00 O ATOM 0 H GLY A 50 -8.271 -4.947 -5.710 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.755 -3.454 -4.845 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.951 -3.878 -3.347 1.00 0.00 H new ATOM 707 N PHE A 51 -7.976 -1.419 -5.345 1.00 0.00 N ATOM 708 CA PHE A 51 -7.481 -0.053 -5.368 1.00 0.00 C ATOM 709 C PHE A 51 -7.992 0.694 -6.602 1.00 0.00 C ATOM 710 O PHE A 51 -7.877 0.200 -7.723 1.00 0.00 O ATOM 711 CB PHE A 51 -5.954 -0.131 -5.429 1.00 0.00 C ATOM 712 CG PHE A 51 -5.294 -0.454 -4.088 1.00 0.00 C ATOM 713 CD1 PHE A 51 -5.733 0.148 -2.950 1.00 0.00 C ATOM 714 CD2 PHE A 51 -4.267 -1.344 -4.032 1.00 0.00 C ATOM 715 CE1 PHE A 51 -5.120 -0.152 -1.705 1.00 0.00 C ATOM 716 CE2 PHE A 51 -3.654 -1.644 -2.787 1.00 0.00 C ATOM 717 CZ PHE A 51 -4.093 -1.042 -1.650 1.00 0.00 C ATOM 0 H PHE A 51 -8.060 -1.858 -6.262 1.00 0.00 H new ATOM 0 HA PHE A 51 -7.825 0.483 -4.483 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.668 -0.891 -6.156 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.566 0.820 -5.794 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.548 0.855 -2.994 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.918 -1.823 -4.935 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.469 0.326 -0.802 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -2.839 -2.351 -2.743 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.626 -1.270 -0.703 1.00 0.00 H new ATOM 727 N SER A 52 -8.544 1.873 -6.354 1.00 0.00 N ATOM 728 CA SER A 52 -9.072 2.693 -7.431 1.00 0.00 C ATOM 729 C SER A 52 -9.133 4.157 -6.992 1.00 0.00 C ATOM 730 O SER A 52 -9.343 4.448 -5.816 1.00 0.00 O ATOM 731 CB SER A 52 -10.458 2.210 -7.862 1.00 0.00 C ATOM 732 OG SER A 52 -11.488 2.725 -7.023 1.00 0.00 O ATOM 0 H SER A 52 -8.637 2.280 -5.423 1.00 0.00 H new ATOM 0 HA SER A 52 -8.404 2.605 -8.287 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.644 2.514 -8.892 1.00 0.00 H new ATOM 0 HB3 SER A 52 -10.485 1.121 -7.842 1.00 0.00 H new ATOM 0 HG SER A 52 -12.357 2.395 -7.332 1.00 0.00 H new ATOM 738 N GLY A 53 -8.946 5.041 -7.962 1.00 0.00 N ATOM 739 CA GLY A 53 -8.977 6.468 -7.690 1.00 0.00 C ATOM 740 C GLY A 53 -7.641 6.946 -7.117 1.00 0.00 C ATOM 741 O GLY A 53 -6.581 6.612 -7.643 1.00 0.00 O ATOM 0 H GLY A 53 -8.773 4.796 -8.937 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.199 7.012 -8.608 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.779 6.690 -6.986 1.00 0.00 H new ATOM 745 N ARG A 54 -7.737 7.720 -6.046 1.00 0.00 N ATOM 746 CA ARG A 54 -6.549 8.247 -5.396 1.00 0.00 C ATOM 747 C ARG A 54 -5.749 7.114 -4.752 1.00 0.00 C ATOM 748 O ARG A 54 -4.537 7.020 -4.941 1.00 0.00 O ATOM 749 CB ARG A 54 -6.919 9.274 -4.323 1.00 0.00 C ATOM 750 CG ARG A 54 -7.108 10.663 -4.936 1.00 0.00 C ATOM 751 CD ARG A 54 -8.219 11.433 -4.218 1.00 0.00 C ATOM 752 NE ARG A 54 -9.457 11.406 -5.028 1.00 0.00 N ATOM 753 CZ ARG A 54 -10.498 12.227 -4.836 1.00 0.00 C ATOM 754 NH1 ARG A 54 -10.457 13.145 -3.860 1.00 0.00 N ATOM 755 NH2 ARG A 54 -11.581 12.131 -5.619 1.00 0.00 N ATOM 0 H ARG A 54 -8.618 7.995 -5.612 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.943 8.736 -6.159 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.836 8.966 -3.821 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.137 9.311 -3.564 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.174 11.222 -4.874 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -7.352 10.567 -5.994 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.405 10.991 -3.239 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.908 12.464 -4.048 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.522 10.719 -5.779 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -9.633 13.219 -3.263 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -11.250 13.770 -3.714 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -11.613 11.433 -6.362 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -12.373 12.756 -5.472 1.00 0.00 H new ATOM 769 N LYS A 55 -6.459 6.281 -4.005 1.00 0.00 N ATOM 770 CA LYS A 55 -5.829 5.157 -3.333 1.00 0.00 C ATOM 771 C LYS A 55 -4.818 4.504 -4.277 1.00 0.00 C ATOM 772 O LYS A 55 -3.650 4.343 -3.926 1.00 0.00 O ATOM 773 CB LYS A 55 -6.888 4.189 -2.802 1.00 0.00 C ATOM 774 CG LYS A 55 -7.732 4.845 -1.707 1.00 0.00 C ATOM 775 CD LYS A 55 -8.021 3.860 -0.572 1.00 0.00 C ATOM 776 CE LYS A 55 -7.755 4.501 0.791 1.00 0.00 C ATOM 777 NZ LYS A 55 -8.988 4.504 1.611 1.00 0.00 N ATOM 0 H LYS A 55 -7.464 6.362 -3.850 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.274 5.498 -2.459 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.533 3.867 -3.619 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.404 3.296 -2.407 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.209 5.716 -1.313 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.671 5.202 -2.131 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.059 3.531 -0.627 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.399 2.973 -0.688 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.968 3.954 1.309 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.398 5.522 0.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.791 4.942 2.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.729 5.045 1.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.312 3.526 1.755 1.00 0.00 H new ATOM 791 N LEU A 56 -5.303 4.146 -5.457 1.00 0.00 N ATOM 792 CA LEU A 56 -4.456 3.515 -6.454 1.00 0.00 C ATOM 793 C LEU A 56 -3.414 4.523 -6.944 1.00 0.00 C ATOM 794 O LEU A 56 -2.213 4.269 -6.863 1.00 0.00 O ATOM 795 CB LEU A 56 -5.305 2.914 -7.576 1.00 0.00 C ATOM 796 CG LEU A 56 -4.537 2.205 -8.693 1.00 0.00 C ATOM 797 CD1 LEU A 56 -3.524 1.213 -8.118 1.00 0.00 C ATOM 798 CD2 LEU A 56 -5.496 1.538 -9.680 1.00 0.00 C ATOM 0 H LEU A 56 -6.272 4.281 -5.745 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.910 2.679 -6.016 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.004 2.203 -7.135 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.900 3.711 -8.021 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.973 2.954 -9.249 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.992 0.723 -8.933 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.812 1.745 -7.487 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.046 0.464 -7.523 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.924 1.041 -10.464 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.106 0.803 -9.155 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.143 2.294 -10.126 1.00 0.00 H new ATOM 810 N ASP A 57 -3.912 5.645 -7.441 1.00 0.00 N ATOM 811 CA ASP A 57 -3.039 6.693 -7.944 1.00 0.00 C ATOM 812 C ASP A 57 -1.823 6.823 -7.025 1.00 0.00 C ATOM 813 O ASP A 57 -0.708 7.047 -7.492 1.00 0.00 O ATOM 814 CB ASP A 57 -3.758 8.043 -7.971 1.00 0.00 C ATOM 815 CG ASP A 57 -3.733 8.762 -9.321 1.00 0.00 C ATOM 816 OD1 ASP A 57 -3.481 8.068 -10.330 1.00 0.00 O ATOM 817 OD2 ASP A 57 -3.966 9.990 -9.315 1.00 0.00 O ATOM 0 H ASP A 57 -4.909 5.852 -7.506 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.739 6.424 -8.957 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.796 7.891 -7.677 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.307 8.693 -7.222 1.00 0.00 H new ATOM 822 N LYS A 58 -2.080 6.676 -5.733 1.00 0.00 N ATOM 823 CA LYS A 58 -1.020 6.775 -4.744 1.00 0.00 C ATOM 824 C LYS A 58 -0.044 5.611 -4.931 1.00 0.00 C ATOM 825 O LYS A 58 1.074 5.804 -5.406 1.00 0.00 O ATOM 826 CB LYS A 58 -1.609 6.863 -3.334 1.00 0.00 C ATOM 827 CG LYS A 58 -2.300 8.210 -3.112 1.00 0.00 C ATOM 828 CD LYS A 58 -1.283 9.295 -2.754 1.00 0.00 C ATOM 829 CE LYS A 58 -1.948 10.672 -2.697 1.00 0.00 C ATOM 830 NZ LYS A 58 -1.092 11.689 -3.347 1.00 0.00 N ATOM 0 H LYS A 58 -3.006 6.489 -5.349 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.452 7.694 -4.885 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.324 6.054 -3.183 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.818 6.730 -2.596 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.842 8.498 -4.013 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.036 8.118 -2.313 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.827 9.067 -1.791 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.481 9.305 -3.492 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.918 10.634 -3.192 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.131 10.951 -1.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.705 12.330 -2.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.311 11.218 -3.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.658 12.235 -4.028 1.00 0.00 H new ATOM 844 N LEU A 59 -0.503 4.429 -4.547 1.00 0.00 N ATOM 845 CA LEU A 59 0.316 3.234 -4.666 1.00 0.00 C ATOM 846 C LEU A 59 1.103 3.289 -5.977 1.00 0.00 C ATOM 847 O LEU A 59 2.262 2.882 -6.026 1.00 0.00 O ATOM 848 CB LEU A 59 -0.545 1.978 -4.518 1.00 0.00 C ATOM 849 CG LEU A 59 -0.441 1.247 -3.178 1.00 0.00 C ATOM 850 CD1 LEU A 59 0.075 2.182 -2.083 1.00 0.00 C ATOM 851 CD2 LEU A 59 -1.775 0.602 -2.800 1.00 0.00 C ATOM 0 H LEU A 59 -1.431 4.273 -4.153 1.00 0.00 H new ATOM 0 HA LEU A 59 1.046 3.190 -3.857 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.587 2.255 -4.678 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.275 1.281 -5.311 1.00 0.00 H new ATOM 0 HG LEU A 59 0.286 0.442 -3.283 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.140 1.638 -1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.063 2.552 -2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.609 3.023 -1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.673 0.089 -1.844 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.542 1.373 -2.719 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.062 -0.116 -3.568 1.00 0.00 H new ATOM 863 N ARG A 60 0.441 3.797 -7.007 1.00 0.00 N ATOM 864 CA ARG A 60 1.065 3.910 -8.314 1.00 0.00 C ATOM 865 C ARG A 60 2.320 4.780 -8.230 1.00 0.00 C ATOM 866 O ARG A 60 3.392 4.375 -8.677 1.00 0.00 O ATOM 867 CB ARG A 60 0.099 4.518 -9.334 1.00 0.00 C ATOM 868 CG ARG A 60 -1.009 3.528 -9.697 1.00 0.00 C ATOM 869 CD ARG A 60 -1.954 4.123 -10.743 1.00 0.00 C ATOM 870 NE ARG A 60 -1.285 4.167 -12.063 1.00 0.00 N ATOM 871 CZ ARG A 60 -0.530 5.188 -12.488 1.00 0.00 C ATOM 872 NH1 ARG A 60 -0.343 6.257 -11.702 1.00 0.00 N ATOM 873 NH2 ARG A 60 0.038 5.142 -13.701 1.00 0.00 N ATOM 0 H ARG A 60 -0.520 4.135 -6.962 1.00 0.00 H new ATOM 0 HA ARG A 60 1.336 2.906 -8.640 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.341 5.428 -8.926 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.646 4.803 -10.233 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.568 2.608 -10.081 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.572 3.262 -8.802 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.863 3.524 -10.806 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.254 5.127 -10.445 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.407 3.370 -12.688 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.776 6.293 -10.779 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.232 7.034 -12.027 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.105 4.329 -14.301 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.613 5.920 -14.025 1.00 0.00 H new ATOM 887 N ARG A 61 2.146 5.960 -7.652 1.00 0.00 N ATOM 888 CA ARG A 61 3.252 6.891 -7.503 1.00 0.00 C ATOM 889 C ARG A 61 4.275 6.344 -6.505 1.00 0.00 C ATOM 890 O ARG A 61 5.462 6.656 -6.594 1.00 0.00 O ATOM 891 CB ARG A 61 2.761 8.258 -7.023 1.00 0.00 C ATOM 892 CG ARG A 61 2.122 9.045 -8.168 1.00 0.00 C ATOM 893 CD ARG A 61 1.998 10.528 -7.813 1.00 0.00 C ATOM 894 NE ARG A 61 1.784 11.326 -9.041 1.00 0.00 N ATOM 895 CZ ARG A 61 1.966 12.652 -9.116 1.00 0.00 C ATOM 896 NH1 ARG A 61 2.366 13.335 -8.035 1.00 0.00 N ATOM 897 NH2 ARG A 61 1.748 13.293 -10.272 1.00 0.00 N ATOM 0 H ARG A 61 1.256 6.292 -7.281 1.00 0.00 H new ATOM 0 HA ARG A 61 3.720 7.009 -8.480 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.037 8.126 -6.219 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.596 8.824 -6.610 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.723 8.933 -9.071 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.136 8.637 -8.389 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.167 10.677 -7.123 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.900 10.865 -7.303 1.00 0.00 H new ATOM 0 HE ARG A 61 1.479 10.837 -9.882 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.532 12.846 -7.155 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.505 14.344 -8.092 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.444 12.772 -11.094 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.886 14.302 -10.330 1.00 0.00 H new ATOM 911 N LEU A 62 3.778 5.539 -5.579 1.00 0.00 N ATOM 912 CA LEU A 62 4.634 4.946 -4.565 1.00 0.00 C ATOM 913 C LEU A 62 5.512 3.872 -5.210 1.00 0.00 C ATOM 914 O LEU A 62 6.719 4.061 -5.362 1.00 0.00 O ATOM 915 CB LEU A 62 3.798 4.433 -3.391 1.00 0.00 C ATOM 916 CG LEU A 62 3.480 5.454 -2.297 1.00 0.00 C ATOM 917 CD1 LEU A 62 2.138 6.140 -2.559 1.00 0.00 C ATOM 918 CD2 LEU A 62 3.532 4.806 -0.911 1.00 0.00 C ATOM 0 H LEU A 62 2.793 5.283 -5.509 1.00 0.00 H new ATOM 0 HA LEU A 62 5.304 5.697 -4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.858 4.045 -3.783 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.324 3.594 -2.935 1.00 0.00 H new ATOM 0 HG LEU A 62 4.246 6.229 -2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.937 6.861 -1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.175 6.656 -3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.345 5.392 -2.579 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.302 5.553 -0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.801 3.999 -0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.530 4.404 -0.735 1.00 0.00 H new ATOM 930 N ILE A 63 4.874 2.769 -5.572 1.00 0.00 N ATOM 931 CA ILE A 63 5.582 1.665 -6.197 1.00 0.00 C ATOM 932 C ILE A 63 6.649 2.220 -7.143 1.00 0.00 C ATOM 933 O ILE A 63 7.827 1.889 -7.018 1.00 0.00 O ATOM 934 CB ILE A 63 4.597 0.711 -6.874 1.00 0.00 C ATOM 935 CG1 ILE A 63 3.811 -0.092 -5.836 1.00 0.00 C ATOM 936 CG2 ILE A 63 5.312 -0.195 -7.878 1.00 0.00 C ATOM 937 CD1 ILE A 63 2.433 -0.485 -6.375 1.00 0.00 C ATOM 0 H ILE A 63 3.874 2.616 -5.444 1.00 0.00 H new ATOM 0 HA ILE A 63 6.100 1.070 -5.445 1.00 0.00 H new ATOM 0 HB ILE A 63 3.876 1.306 -7.435 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.369 -0.989 -5.566 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.695 0.497 -4.927 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.588 -0.863 -8.345 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.789 0.416 -8.644 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.069 -0.784 -7.361 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.895 -1.055 -5.617 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.869 0.414 -6.621 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.553 -1.095 -7.271 1.00 0.00 H new ATOM 949 N ASN A 64 6.198 3.055 -8.068 1.00 0.00 N ATOM 950 CA ASN A 64 7.100 3.658 -9.035 1.00 0.00 C ATOM 951 C ASN A 64 8.167 4.467 -8.294 1.00 0.00 C ATOM 952 O ASN A 64 9.352 4.378 -8.615 1.00 0.00 O ATOM 953 CB ASN A 64 6.349 4.610 -9.968 1.00 0.00 C ATOM 954 CG ASN A 64 6.639 4.282 -11.434 1.00 0.00 C ATOM 955 OD1 ASN A 64 5.807 3.757 -12.156 1.00 0.00 O ATOM 956 ND2 ASN A 64 7.862 4.620 -11.833 1.00 0.00 N ATOM 0 H ASN A 64 5.220 3.328 -8.168 1.00 0.00 H new ATOM 0 HA ASN A 64 7.551 2.858 -9.622 1.00 0.00 H new ATOM 0 HB2 ASN A 64 5.278 4.539 -9.781 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.642 5.638 -9.757 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.152 4.443 -12.795 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.510 5.057 -11.177 1.00 0.00 H new ATOM 963 N SER A 65 7.710 5.236 -7.317 1.00 0.00 N ATOM 964 CA SER A 65 8.611 6.059 -6.529 1.00 0.00 C ATOM 965 C SER A 65 9.635 5.176 -5.812 1.00 0.00 C ATOM 966 O SER A 65 10.758 5.606 -5.554 1.00 0.00 O ATOM 967 CB SER A 65 7.839 6.906 -5.516 1.00 0.00 C ATOM 968 OG SER A 65 8.696 7.463 -4.522 1.00 0.00 O ATOM 0 H SER A 65 6.727 5.306 -7.053 1.00 0.00 H new ATOM 0 HA SER A 65 9.134 6.736 -7.204 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.318 7.709 -6.037 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.078 6.292 -5.035 1.00 0.00 H new ATOM 0 HG SER A 65 8.166 7.998 -3.895 1.00 0.00 H new ATOM 974 N GLY A 66 9.209 3.958 -5.511 1.00 0.00 N ATOM 975 CA GLY A 66 10.075 3.011 -4.829 1.00 0.00 C ATOM 976 C GLY A 66 10.849 2.154 -5.833 1.00 0.00 C ATOM 977 O GLY A 66 11.736 1.392 -5.450 1.00 0.00 O ATOM 0 H GLY A 66 8.277 3.605 -5.727 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.775 3.548 -4.189 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.479 2.369 -4.181 1.00 0.00 H new ATOM 981 N GLY A 67 10.486 2.309 -7.098 1.00 0.00 N ATOM 982 CA GLY A 67 11.136 1.559 -8.160 1.00 0.00 C ATOM 983 C GLY A 67 10.390 0.254 -8.445 1.00 0.00 C ATOM 984 O GLY A 67 10.616 -0.382 -9.473 1.00 0.00 O ATOM 0 H GLY A 67 9.751 2.942 -7.411 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.176 2.164 -9.066 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.166 1.339 -7.877 1.00 0.00 H new ATOM 988 N GLY A 68 9.516 -0.106 -7.517 1.00 0.00 N ATOM 989 CA GLY A 68 8.735 -1.323 -7.656 1.00 0.00 C ATOM 990 C GLY A 68 8.001 -1.354 -8.998 1.00 0.00 C ATOM 991 O GLY A 68 7.815 -0.316 -9.631 1.00 0.00 O ATOM 0 H GLY A 68 9.331 0.424 -6.665 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.390 -2.191 -7.576 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.014 -1.391 -6.842 1.00 0.00 H new ATOM 995 N VAL A 69 7.604 -2.555 -9.392 1.00 0.00 N ATOM 996 CA VAL A 69 6.895 -2.734 -10.647 1.00 0.00 C ATOM 997 C VAL A 69 5.441 -3.112 -10.357 1.00 0.00 C ATOM 998 O VAL A 69 5.170 -4.189 -9.826 1.00 0.00 O ATOM 999 CB VAL A 69 7.619 -3.766 -11.515 1.00 0.00 C ATOM 1000 CG1 VAL A 69 6.683 -4.339 -12.581 1.00 0.00 C ATOM 1001 CG2 VAL A 69 8.872 -3.163 -12.152 1.00 0.00 C ATOM 0 H VAL A 69 7.760 -3.414 -8.864 1.00 0.00 H new ATOM 0 HA VAL A 69 6.882 -1.803 -11.214 1.00 0.00 H new ATOM 0 HB VAL A 69 7.933 -4.586 -10.869 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.222 -5.070 -13.184 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.834 -4.823 -12.098 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.325 -3.533 -13.222 1.00 0.00 H new ATOM 0 HG21 VAL A 69 9.368 -3.917 -12.764 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.590 -2.316 -12.778 1.00 0.00 H new ATOM 0 HG23 VAL A 69 9.552 -2.826 -11.369 1.00 0.00 H new ATOM 1011 N ARG A 70 4.544 -2.207 -10.718 1.00 0.00 N ATOM 1012 CA ARG A 70 3.125 -2.432 -10.503 1.00 0.00 C ATOM 1013 C ARG A 70 2.569 -3.377 -11.570 1.00 0.00 C ATOM 1014 O ARG A 70 2.331 -2.966 -12.705 1.00 0.00 O ATOM 1015 CB ARG A 70 2.346 -1.115 -10.542 1.00 0.00 C ATOM 1016 CG ARG A 70 0.875 -1.337 -10.184 1.00 0.00 C ATOM 1017 CD ARG A 70 -0.023 -0.333 -10.908 1.00 0.00 C ATOM 1018 NE ARG A 70 -1.176 -1.032 -11.519 1.00 0.00 N ATOM 1019 CZ ARG A 70 -2.282 -0.416 -11.958 1.00 0.00 C ATOM 1020 NH1 ARG A 70 -2.392 0.915 -11.857 1.00 0.00 N ATOM 1021 NH2 ARG A 70 -3.277 -1.132 -12.499 1.00 0.00 N ATOM 0 H ARG A 70 4.772 -1.316 -11.158 1.00 0.00 H new ATOM 0 HA ARG A 70 3.007 -2.882 -9.517 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.790 -0.405 -9.845 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.419 -0.674 -11.536 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.581 -2.352 -10.452 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.741 -1.240 -9.107 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.376 0.423 -10.207 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.547 0.187 -11.678 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.125 -2.047 -11.612 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.634 1.460 -11.446 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.234 1.384 -12.191 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.192 -2.146 -12.576 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.119 -0.664 -12.833 1.00 0.00 H new ATOM 1035 N PHE A 71 2.380 -4.625 -11.168 1.00 0.00 N ATOM 1036 CA PHE A 71 1.857 -5.632 -12.076 1.00 0.00 C ATOM 1037 C PHE A 71 0.352 -5.451 -12.288 1.00 0.00 C ATOM 1038 O PHE A 71 -0.415 -5.421 -11.327 1.00 0.00 O ATOM 1039 CB PHE A 71 2.108 -6.994 -11.426 1.00 0.00 C ATOM 1040 CG PHE A 71 3.252 -7.786 -12.062 1.00 0.00 C ATOM 1041 CD1 PHE A 71 4.371 -7.141 -12.487 1.00 0.00 C ATOM 1042 CD2 PHE A 71 3.150 -9.135 -12.202 1.00 0.00 C ATOM 1043 CE1 PHE A 71 5.434 -7.876 -13.077 1.00 0.00 C ATOM 1044 CE2 PHE A 71 4.212 -9.870 -12.793 1.00 0.00 C ATOM 1045 CZ PHE A 71 5.331 -9.225 -13.218 1.00 0.00 C ATOM 0 H PHE A 71 2.579 -4.962 -10.226 1.00 0.00 H new ATOM 0 HA PHE A 71 2.346 -5.548 -13.046 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.327 -6.846 -10.368 1.00 0.00 H new ATOM 0 HB3 PHE A 71 1.195 -7.586 -11.483 1.00 0.00 H new ATOM 0 HD1 PHE A 71 4.452 -6.070 -12.376 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.261 -9.647 -11.864 1.00 0.00 H new ATOM 0 HE1 PHE A 71 6.323 -7.364 -13.413 1.00 0.00 H new ATOM 0 HE2 PHE A 71 4.131 -10.941 -12.905 1.00 0.00 H new ATOM 0 HZ PHE A 71 6.138 -9.784 -13.668 1.00 0.00 H new ATOM 1055 N ASN A 72 -0.025 -5.335 -13.553 1.00 0.00 N ATOM 1056 CA ASN A 72 -1.424 -5.158 -13.904 1.00 0.00 C ATOM 1057 C ASN A 72 -2.146 -6.503 -13.798 1.00 0.00 C ATOM 1058 O ASN A 72 -3.375 -6.552 -13.788 1.00 0.00 O ATOM 1059 CB ASN A 72 -1.572 -4.654 -15.341 1.00 0.00 C ATOM 1060 CG ASN A 72 -1.045 -5.686 -16.341 1.00 0.00 C ATOM 1061 OD1 ASN A 72 -0.085 -6.396 -16.092 1.00 0.00 O ATOM 1062 ND2 ASN A 72 -1.726 -5.728 -17.483 1.00 0.00 N ATOM 0 H ASN A 72 0.614 -5.360 -14.348 1.00 0.00 H new ATOM 0 HA ASN A 72 -1.853 -4.427 -13.219 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.621 -4.442 -15.550 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.028 -3.717 -15.459 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -1.454 -6.383 -18.215 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.521 -5.105 -17.626 1.00 0.00 H new ATOM 1069 N GLN A 73 -1.352 -7.560 -13.721 1.00 0.00 N ATOM 1070 CA GLN A 73 -1.900 -8.902 -13.616 1.00 0.00 C ATOM 1071 C GLN A 73 -1.216 -9.667 -12.481 1.00 0.00 C ATOM 1072 O GLN A 73 -0.229 -9.197 -11.917 1.00 0.00 O ATOM 1073 CB GLN A 73 -1.768 -9.654 -14.942 1.00 0.00 C ATOM 1074 CG GLN A 73 -2.680 -9.047 -16.009 1.00 0.00 C ATOM 1075 CD GLN A 73 -2.685 -9.903 -17.277 1.00 0.00 C ATOM 1076 OE1 GLN A 73 -1.761 -10.650 -17.557 1.00 0.00 O ATOM 1077 NE2 GLN A 73 -3.773 -9.754 -18.027 1.00 0.00 N ATOM 0 H GLN A 73 -0.333 -7.515 -13.729 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.962 -8.823 -13.386 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -0.733 -9.621 -15.282 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.022 -10.704 -14.796 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.694 -8.961 -15.620 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.344 -8.038 -16.248 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -4.510 -9.112 -17.735 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -3.871 -10.282 -18.894 1.00 0.00 H new ATOM 1086 N LEU A 74 -1.769 -10.833 -12.179 1.00 0.00 N ATOM 1087 CA LEU A 74 -1.225 -11.668 -11.122 1.00 0.00 C ATOM 1088 C LEU A 74 -0.575 -12.908 -11.740 1.00 0.00 C ATOM 1089 O LEU A 74 -0.814 -13.223 -12.905 1.00 0.00 O ATOM 1090 CB LEU A 74 -2.303 -11.991 -10.086 1.00 0.00 C ATOM 1091 CG LEU A 74 -1.918 -11.763 -8.623 1.00 0.00 C ATOM 1092 CD1 LEU A 74 -3.089 -11.176 -7.832 1.00 0.00 C ATOM 1093 CD2 LEU A 74 -1.386 -13.050 -7.989 1.00 0.00 C ATOM 0 H LEU A 74 -2.588 -11.219 -12.648 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.444 -11.135 -10.580 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.184 -11.388 -10.307 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.593 -13.035 -10.206 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.111 -11.031 -8.593 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.788 -11.024 -6.795 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.381 -10.221 -8.269 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.933 -11.864 -7.867 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.120 -12.860 -6.949 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.155 -13.821 -8.032 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.504 -13.386 -8.534 1.00 0.00 H new ATOM 1105 N ASN A 75 0.234 -13.577 -10.932 1.00 0.00 N ATOM 1106 CA ASN A 75 0.920 -14.776 -11.386 1.00 0.00 C ATOM 1107 C ASN A 75 2.032 -15.127 -10.395 1.00 0.00 C ATOM 1108 O ASN A 75 2.167 -14.484 -9.355 1.00 0.00 O ATOM 1109 CB ASN A 75 1.560 -14.558 -12.758 1.00 0.00 C ATOM 1110 CG ASN A 75 1.883 -13.080 -12.984 1.00 0.00 C ATOM 1111 OD1 ASN A 75 2.598 -12.450 -12.223 1.00 0.00 O ATOM 1112 ND2 ASN A 75 1.316 -12.563 -14.071 1.00 0.00 N ATOM 0 H ASN A 75 0.430 -13.312 -9.967 1.00 0.00 H new ATOM 0 HA ASN A 75 0.187 -15.580 -11.454 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.472 -15.149 -12.836 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.885 -14.910 -13.538 1.00 0.00 H new ATOM 0 HD21 ASN A 75 1.470 -11.583 -14.309 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.728 -13.146 -14.666 1.00 0.00 H new ATOM 1119 N GLU A 76 2.799 -16.146 -10.753 1.00 0.00 N ATOM 1120 CA GLU A 76 3.895 -16.590 -9.909 1.00 0.00 C ATOM 1121 C GLU A 76 4.996 -15.529 -9.866 1.00 0.00 C ATOM 1122 O GLU A 76 5.860 -15.561 -8.990 1.00 0.00 O ATOM 1123 CB GLU A 76 4.447 -17.934 -10.389 1.00 0.00 C ATOM 1124 CG GLU A 76 3.327 -18.966 -10.536 1.00 0.00 C ATOM 1125 CD GLU A 76 3.899 -20.372 -10.729 1.00 0.00 C ATOM 1126 OE1 GLU A 76 4.777 -20.743 -9.921 1.00 0.00 O ATOM 1127 OE2 GLU A 76 3.444 -21.044 -11.679 1.00 0.00 O ATOM 0 H GLU A 76 2.683 -16.677 -11.616 1.00 0.00 H new ATOM 0 HA GLU A 76 3.514 -16.731 -8.897 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.953 -17.803 -11.345 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.192 -18.299 -9.682 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.691 -18.947 -9.651 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.697 -18.706 -11.387 1.00 0.00 H new ATOM 1134 N ASP A 77 4.929 -14.614 -10.821 1.00 0.00 N ATOM 1135 CA ASP A 77 5.910 -13.545 -10.904 1.00 0.00 C ATOM 1136 C ASP A 77 5.705 -12.579 -9.735 1.00 0.00 C ATOM 1137 O ASP A 77 6.666 -12.177 -9.081 1.00 0.00 O ATOM 1138 CB ASP A 77 5.754 -12.753 -12.204 1.00 0.00 C ATOM 1139 CG ASP A 77 6.664 -13.204 -13.348 1.00 0.00 C ATOM 1140 OD1 ASP A 77 6.377 -14.282 -13.911 1.00 0.00 O ATOM 1141 OD2 ASP A 77 7.627 -12.459 -13.634 1.00 0.00 O ATOM 0 H ASP A 77 4.210 -14.590 -11.545 1.00 0.00 H new ATOM 0 HA ASP A 77 6.902 -13.995 -10.873 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.718 -12.825 -12.534 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.950 -11.701 -11.997 1.00 0.00 H new ATOM 1146 N VAL A 78 4.445 -12.235 -9.507 1.00 0.00 N ATOM 1147 CA VAL A 78 4.102 -11.324 -8.429 1.00 0.00 C ATOM 1148 C VAL A 78 4.891 -11.705 -7.174 1.00 0.00 C ATOM 1149 O VAL A 78 5.104 -12.887 -6.906 1.00 0.00 O ATOM 1150 CB VAL A 78 2.588 -11.324 -8.206 1.00 0.00 C ATOM 1151 CG1 VAL A 78 2.217 -10.519 -6.959 1.00 0.00 C ATOM 1152 CG2 VAL A 78 1.852 -10.795 -9.439 1.00 0.00 C ATOM 0 H VAL A 78 3.650 -12.571 -10.051 1.00 0.00 H new ATOM 0 HA VAL A 78 4.379 -10.303 -8.690 1.00 0.00 H new ATOM 0 HB VAL A 78 2.274 -12.355 -8.045 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.136 -10.535 -6.824 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.699 -10.959 -6.086 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.552 -9.489 -7.078 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.778 -10.806 -9.254 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.175 -9.774 -9.645 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.079 -11.428 -10.297 1.00 0.00 H new ATOM 1162 N THR A 79 5.302 -10.683 -6.439 1.00 0.00 N ATOM 1163 CA THR A 79 6.062 -10.896 -5.220 1.00 0.00 C ATOM 1164 C THR A 79 5.253 -10.447 -4.001 1.00 0.00 C ATOM 1165 O THR A 79 5.561 -10.827 -2.873 1.00 0.00 O ATOM 1166 CB THR A 79 7.399 -10.166 -5.363 1.00 0.00 C ATOM 1167 OG1 THR A 79 7.041 -8.787 -5.398 1.00 0.00 O ATOM 1168 CG2 THR A 79 8.060 -10.414 -6.720 1.00 0.00 C ATOM 0 H THR A 79 5.123 -9.704 -6.664 1.00 0.00 H new ATOM 0 HA THR A 79 6.268 -11.955 -5.063 1.00 0.00 H new ATOM 0 HB THR A 79 8.073 -10.485 -4.568 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.158 -8.689 -5.812 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.005 -9.873 -6.769 1.00 0.00 H new ATOM 0 HG22 THR A 79 8.246 -11.481 -6.845 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.401 -10.065 -7.515 1.00 0.00 H new ATOM 1176 N HIS A 80 4.233 -9.646 -4.271 1.00 0.00 N ATOM 1177 CA HIS A 80 3.377 -9.142 -3.211 1.00 0.00 C ATOM 1178 C HIS A 80 2.038 -8.696 -3.801 1.00 0.00 C ATOM 1179 O HIS A 80 1.948 -8.399 -4.991 1.00 0.00 O ATOM 1180 CB HIS A 80 4.079 -8.030 -2.427 1.00 0.00 C ATOM 1181 CG HIS A 80 5.511 -8.345 -2.065 1.00 0.00 C ATOM 1182 ND1 HIS A 80 6.542 -8.310 -2.986 1.00 0.00 N ATOM 1183 CD2 HIS A 80 6.071 -8.699 -0.873 1.00 0.00 C ATOM 1184 CE1 HIS A 80 7.668 -8.631 -2.366 1.00 0.00 C ATOM 1185 NE2 HIS A 80 7.374 -8.873 -1.056 1.00 0.00 N ATOM 0 H HIS A 80 3.980 -9.334 -5.208 1.00 0.00 H new ATOM 0 HA HIS A 80 3.172 -9.938 -2.495 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.057 -7.114 -3.017 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.518 -7.834 -1.513 1.00 0.00 H new ATOM 0 HD1 HIS A 80 6.451 -8.077 -3.975 1.00 0.00 H new ATOM 0 HD2 HIS A 80 5.543 -8.818 0.062 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.647 -8.691 -2.818 1.00 0.00 H new ATOM 0 HE2 HIS A 80 8.045 -9.143 -0.336 1.00 0.00 H new ATOM 1193 N VAL A 81 1.030 -8.663 -2.941 1.00 0.00 N ATOM 1194 CA VAL A 81 -0.300 -8.259 -3.362 1.00 0.00 C ATOM 1195 C VAL A 81 -0.890 -7.302 -2.324 1.00 0.00 C ATOM 1196 O VAL A 81 -1.436 -7.738 -1.312 1.00 0.00 O ATOM 1197 CB VAL A 81 -1.172 -9.494 -3.600 1.00 0.00 C ATOM 1198 CG1 VAL A 81 -2.624 -9.096 -3.871 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.615 -10.347 -4.741 1.00 0.00 C ATOM 0 H VAL A 81 1.108 -8.910 -1.954 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.254 -7.723 -4.310 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.154 -10.097 -2.692 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.222 -9.992 -4.037 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.018 -8.550 -3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.668 -8.461 -4.756 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.253 -11.218 -4.889 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.588 -9.757 -5.657 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.394 -10.675 -4.491 1.00 0.00 H new ATOM 1209 N ILE A 82 -0.760 -6.015 -2.612 1.00 0.00 N ATOM 1210 CA ILE A 82 -1.273 -4.992 -1.716 1.00 0.00 C ATOM 1211 C ILE A 82 -2.797 -4.929 -1.842 1.00 0.00 C ATOM 1212 O ILE A 82 -3.321 -4.488 -2.864 1.00 0.00 O ATOM 1213 CB ILE A 82 -0.578 -3.654 -1.976 1.00 0.00 C ATOM 1214 CG1 ILE A 82 0.939 -3.831 -2.057 1.00 0.00 C ATOM 1215 CG2 ILE A 82 -0.979 -2.615 -0.927 1.00 0.00 C ATOM 1216 CD1 ILE A 82 1.600 -3.519 -0.713 1.00 0.00 C ATOM 0 H ILE A 82 -0.307 -5.657 -3.453 1.00 0.00 H new ATOM 0 HA ILE A 82 -1.048 -5.245 -0.680 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.910 -3.279 -2.944 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.174 -4.853 -2.353 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.345 -3.175 -2.827 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.471 -1.673 -1.135 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.058 -2.461 -0.961 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.695 -2.970 0.064 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.678 -3.653 -0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 82 1.383 -2.489 -0.431 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.210 -4.193 0.050 1.00 0.00 H new ATOM 1228 N VAL A 83 -3.465 -5.374 -0.788 1.00 0.00 N ATOM 1229 CA VAL A 83 -4.918 -5.374 -0.767 1.00 0.00 C ATOM 1230 C VAL A 83 -5.411 -4.157 0.018 1.00 0.00 C ATOM 1231 O VAL A 83 -4.838 -3.804 1.048 1.00 0.00 O ATOM 1232 CB VAL A 83 -5.434 -6.699 -0.204 1.00 0.00 C ATOM 1233 CG1 VAL A 83 -6.962 -6.756 -0.249 1.00 0.00 C ATOM 1234 CG2 VAL A 83 -4.818 -7.887 -0.946 1.00 0.00 C ATOM 0 H VAL A 83 -3.027 -5.737 0.058 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.315 -5.291 -1.779 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.128 -6.761 0.840 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.303 -7.708 0.157 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.374 -5.940 0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.299 -6.660 -1.281 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.202 -8.817 -0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.079 -7.831 -2.003 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.734 -7.861 -0.839 1.00 0.00 H new ATOM 1244 N GLY A 84 -6.470 -3.549 -0.498 1.00 0.00 N ATOM 1245 CA GLY A 84 -7.047 -2.380 0.143 1.00 0.00 C ATOM 1246 C GLY A 84 -8.468 -2.668 0.632 1.00 0.00 C ATOM 1247 O GLY A 84 -8.976 -1.979 1.515 1.00 0.00 O ATOM 0 H GLY A 84 -6.943 -3.844 -1.352 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.423 -2.077 0.984 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.062 -1.546 -0.559 1.00 0.00 H new ATOM 1251 N ASP A 85 -9.069 -3.687 0.036 1.00 0.00 N ATOM 1252 CA ASP A 85 -10.422 -4.075 0.400 1.00 0.00 C ATOM 1253 C ASP A 85 -10.439 -5.558 0.775 1.00 0.00 C ATOM 1254 O ASP A 85 -10.903 -5.924 1.854 1.00 0.00 O ATOM 1255 CB ASP A 85 -11.386 -3.872 -0.770 1.00 0.00 C ATOM 1256 CG ASP A 85 -11.418 -2.454 -1.344 1.00 0.00 C ATOM 1257 OD1 ASP A 85 -12.065 -1.597 -0.704 1.00 0.00 O ATOM 1258 OD2 ASP A 85 -10.794 -2.259 -2.409 1.00 0.00 O ATOM 0 H ASP A 85 -8.644 -4.256 -0.696 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.737 -3.454 1.239 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.116 -4.564 -1.567 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -12.391 -4.138 -0.443 1.00 0.00 H new ATOM 1263 N TYR A 86 -9.926 -6.372 -0.136 1.00 0.00 N ATOM 1264 CA TYR A 86 -9.877 -7.807 0.086 1.00 0.00 C ATOM 1265 C TYR A 86 -9.246 -8.525 -1.109 1.00 0.00 C ATOM 1266 O TYR A 86 -8.397 -9.398 -0.935 1.00 0.00 O ATOM 1267 CB TYR A 86 -11.331 -8.262 0.229 1.00 0.00 C ATOM 1268 CG TYR A 86 -12.278 -7.652 -0.806 1.00 0.00 C ATOM 1269 CD1 TYR A 86 -12.480 -8.286 -2.015 1.00 0.00 C ATOM 1270 CD2 TYR A 86 -12.931 -6.468 -0.531 1.00 0.00 C ATOM 1271 CE1 TYR A 86 -13.372 -7.712 -2.990 1.00 0.00 C ATOM 1272 CE2 TYR A 86 -13.823 -5.894 -1.505 1.00 0.00 C ATOM 1273 CZ TYR A 86 -13.999 -6.545 -2.686 1.00 0.00 C ATOM 1274 OH TYR A 86 -14.842 -6.003 -3.606 1.00 0.00 O ATOM 0 H TYR A 86 -9.541 -6.065 -1.029 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.278 -8.039 0.967 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -11.371 -9.348 0.147 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -11.685 -8.004 1.227 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -11.969 -9.213 -2.230 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -12.773 -5.972 0.415 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -13.539 -8.198 -3.940 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -14.340 -4.968 -1.302 1.00 0.00 H new ATOM 0 HH TYR A 86 -15.220 -5.171 -3.253 1.00 0.00 H new ATOM 1284 N ASP A 87 -9.684 -8.130 -2.295 1.00 0.00 N ATOM 1285 CA ASP A 87 -9.173 -8.725 -3.518 1.00 0.00 C ATOM 1286 C ASP A 87 -9.904 -10.043 -3.784 1.00 0.00 C ATOM 1287 O ASP A 87 -9.694 -11.027 -3.076 1.00 0.00 O ATOM 1288 CB ASP A 87 -7.678 -9.030 -3.399 1.00 0.00 C ATOM 1289 CG ASP A 87 -6.928 -9.116 -4.730 1.00 0.00 C ATOM 1290 OD1 ASP A 87 -7.620 -9.143 -5.771 1.00 0.00 O ATOM 1291 OD2 ASP A 87 -5.680 -9.153 -4.676 1.00 0.00 O ATOM 0 H ASP A 87 -10.387 -7.405 -2.435 1.00 0.00 H new ATOM 0 HA ASP A 87 -9.334 -8.016 -4.330 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.213 -8.258 -2.786 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.556 -9.975 -2.869 1.00 0.00 H new ATOM 1296 N ASP A 88 -10.747 -10.019 -4.805 1.00 0.00 N ATOM 1297 CA ASP A 88 -11.510 -11.199 -5.173 1.00 0.00 C ATOM 1298 C ASP A 88 -10.762 -11.965 -6.267 1.00 0.00 C ATOM 1299 O ASP A 88 -10.809 -13.193 -6.312 1.00 0.00 O ATOM 1300 CB ASP A 88 -12.887 -10.817 -5.721 1.00 0.00 C ATOM 1301 CG ASP A 88 -13.942 -10.506 -4.658 1.00 0.00 C ATOM 1302 OD1 ASP A 88 -13.795 -11.043 -3.539 1.00 0.00 O ATOM 1303 OD2 ASP A 88 -14.872 -9.740 -4.989 1.00 0.00 O ATOM 0 H ASP A 88 -10.919 -9.201 -5.389 1.00 0.00 H new ATOM 0 HA ASP A 88 -11.635 -11.811 -4.280 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.776 -9.946 -6.367 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.252 -11.632 -6.346 1.00 0.00 H new ATOM 1308 N GLU A 89 -10.090 -11.207 -7.121 1.00 0.00 N ATOM 1309 CA GLU A 89 -9.333 -11.799 -8.211 1.00 0.00 C ATOM 1310 C GLU A 89 -8.288 -12.774 -7.664 1.00 0.00 C ATOM 1311 O GLU A 89 -8.145 -13.885 -8.172 1.00 0.00 O ATOM 1312 CB GLU A 89 -8.676 -10.718 -9.072 1.00 0.00 C ATOM 1313 CG GLU A 89 -7.239 -11.101 -9.431 1.00 0.00 C ATOM 1314 CD GLU A 89 -7.206 -12.372 -10.282 1.00 0.00 C ATOM 1315 OE1 GLU A 89 -8.220 -12.621 -10.969 1.00 0.00 O ATOM 1316 OE2 GLU A 89 -6.168 -13.066 -10.226 1.00 0.00 O ATOM 0 H GLU A 89 -10.054 -10.188 -7.080 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.022 -12.355 -8.846 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.256 -10.572 -9.983 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.680 -9.769 -8.536 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.766 -10.283 -9.974 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.661 -11.254 -8.519 1.00 0.00 H new ATOM 1323 N LEU A 90 -7.586 -12.323 -6.635 1.00 0.00 N ATOM 1324 CA LEU A 90 -6.559 -13.142 -6.014 1.00 0.00 C ATOM 1325 C LEU A 90 -7.052 -14.587 -5.921 1.00 0.00 C ATOM 1326 O LEU A 90 -6.352 -15.513 -6.330 1.00 0.00 O ATOM 1327 CB LEU A 90 -6.141 -12.547 -4.667 1.00 0.00 C ATOM 1328 CG LEU A 90 -4.678 -12.752 -4.268 1.00 0.00 C ATOM 1329 CD1 LEU A 90 -4.224 -11.677 -3.279 1.00 0.00 C ATOM 1330 CD2 LEU A 90 -4.451 -14.164 -3.724 1.00 0.00 C ATOM 0 H LEU A 90 -7.708 -11.401 -6.216 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.657 -13.151 -6.626 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.345 -11.476 -4.686 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.773 -12.978 -3.890 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.062 -12.648 -5.161 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.181 -11.846 -3.012 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.326 -10.694 -3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.841 -11.724 -2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.403 -14.283 -3.448 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.078 -14.321 -2.846 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.710 -14.895 -4.490 1.00 0.00 H new ATOM 1342 N LYS A 91 -8.253 -14.736 -5.381 1.00 0.00 N ATOM 1343 CA LYS A 91 -8.847 -16.053 -5.229 1.00 0.00 C ATOM 1344 C LYS A 91 -8.720 -16.820 -6.547 1.00 0.00 C ATOM 1345 O LYS A 91 -8.324 -17.984 -6.556 1.00 0.00 O ATOM 1346 CB LYS A 91 -10.286 -15.936 -4.723 1.00 0.00 C ATOM 1347 CG LYS A 91 -10.329 -15.908 -3.194 1.00 0.00 C ATOM 1348 CD LYS A 91 -11.745 -15.623 -2.689 1.00 0.00 C ATOM 1349 CE LYS A 91 -11.793 -15.626 -1.160 1.00 0.00 C ATOM 1350 NZ LYS A 91 -12.903 -16.478 -0.678 1.00 0.00 N ATOM 0 H LYS A 91 -8.831 -13.966 -5.043 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.312 -16.627 -4.472 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.742 -15.029 -5.120 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.874 -16.776 -5.092 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.984 -16.864 -2.800 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.646 -15.145 -2.822 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.081 -14.657 -3.065 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.432 -16.374 -3.079 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.847 -15.991 -0.761 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.922 -14.608 -0.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -12.921 -16.469 0.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.805 -16.112 -1.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -12.763 -17.453 -1.013 1.00 0.00 H new ATOM 1364 N GLN A 92 -9.063 -16.136 -7.629 1.00 0.00 N ATOM 1365 CA GLN A 92 -8.992 -16.738 -8.949 1.00 0.00 C ATOM 1366 C GLN A 92 -7.567 -17.216 -9.239 1.00 0.00 C ATOM 1367 O GLN A 92 -7.362 -18.359 -9.642 1.00 0.00 O ATOM 1368 CB GLN A 92 -9.472 -15.761 -10.024 1.00 0.00 C ATOM 1369 CG GLN A 92 -10.813 -15.135 -9.637 1.00 0.00 C ATOM 1370 CD GLN A 92 -11.906 -15.519 -10.636 1.00 0.00 C ATOM 1371 OE1 GLN A 92 -11.686 -15.606 -11.833 1.00 0.00 O ATOM 1372 NE2 GLN A 92 -13.093 -15.744 -10.080 1.00 0.00 N ATOM 0 H GLN A 92 -9.391 -15.170 -7.618 1.00 0.00 H new ATOM 0 HA GLN A 92 -9.655 -17.603 -8.968 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -8.728 -14.977 -10.166 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -9.571 -16.282 -10.976 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -11.097 -15.464 -8.637 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.715 -14.050 -9.599 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -13.209 -15.654 -9.071 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -13.888 -16.007 -10.663 1.00 0.00 H new ATOM 1381 N PHE A 93 -6.620 -16.315 -9.021 1.00 0.00 N ATOM 1382 CA PHE A 93 -5.220 -16.630 -9.253 1.00 0.00 C ATOM 1383 C PHE A 93 -4.801 -17.876 -8.470 1.00 0.00 C ATOM 1384 O PHE A 93 -4.022 -18.691 -8.962 1.00 0.00 O ATOM 1385 CB PHE A 93 -4.405 -15.434 -8.760 1.00 0.00 C ATOM 1386 CG PHE A 93 -2.966 -15.779 -8.370 1.00 0.00 C ATOM 1387 CD1 PHE A 93 -2.048 -16.055 -9.335 1.00 0.00 C ATOM 1388 CD2 PHE A 93 -2.605 -15.811 -7.059 1.00 0.00 C ATOM 1389 CE1 PHE A 93 -0.713 -16.376 -8.974 1.00 0.00 C ATOM 1390 CE2 PHE A 93 -1.270 -16.132 -6.698 1.00 0.00 C ATOM 1391 CZ PHE A 93 -0.352 -16.408 -7.663 1.00 0.00 C ATOM 0 H PHE A 93 -6.794 -15.367 -8.686 1.00 0.00 H new ATOM 0 HA PHE A 93 -5.054 -16.827 -10.312 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -4.386 -14.674 -9.541 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -4.908 -14.995 -7.899 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -2.335 -16.030 -10.376 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -3.334 -15.592 -6.293 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.016 -16.595 -9.740 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -0.983 -16.157 -5.657 1.00 0.00 H new ATOM 0 HZ PHE A 93 0.663 -16.653 -7.388 1.00 0.00 H new ATOM 1401 N TRP A 94 -5.337 -17.985 -7.263 1.00 0.00 N ATOM 1402 CA TRP A 94 -5.028 -19.117 -6.407 1.00 0.00 C ATOM 1403 C TRP A 94 -5.545 -20.384 -7.093 1.00 0.00 C ATOM 1404 O TRP A 94 -5.072 -21.484 -6.811 1.00 0.00 O ATOM 1405 CB TRP A 94 -5.607 -18.919 -5.005 1.00 0.00 C ATOM 1406 CG TRP A 94 -4.606 -18.361 -3.991 1.00 0.00 C ATOM 1407 CD1 TRP A 94 -3.283 -18.564 -3.941 1.00 0.00 C ATOM 1408 CD2 TRP A 94 -4.904 -17.494 -2.876 1.00 0.00 C ATOM 1409 NE1 TRP A 94 -2.708 -17.894 -2.880 1.00 0.00 N ATOM 1410 CE2 TRP A 94 -3.725 -17.222 -2.212 1.00 0.00 C ATOM 1411 CE3 TRP A 94 -6.129 -16.956 -2.444 1.00 0.00 C ATOM 1412 CZ2 TRP A 94 -3.655 -16.407 -1.077 1.00 0.00 C ATOM 1413 CZ3 TRP A 94 -6.042 -16.143 -1.307 1.00 0.00 C ATOM 1414 CH2 TRP A 94 -4.863 -15.860 -0.627 1.00 0.00 C ATOM 0 H TRP A 94 -5.983 -17.308 -6.858 1.00 0.00 H new ATOM 0 HA TRP A 94 -3.951 -19.211 -6.267 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -6.460 -18.243 -5.068 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -5.983 -19.875 -4.640 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -2.735 -19.175 -4.643 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -1.719 -17.892 -2.632 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -7.063 -17.154 -2.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.719 -16.210 -0.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -6.955 -15.705 -0.932 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -4.879 -15.222 0.244 1.00 0.00 H new ATOM 1425 N ASN A 95 -6.508 -20.186 -7.981 1.00 0.00 N ATOM 1426 CA ASN A 95 -7.094 -21.298 -8.709 1.00 0.00 C ATOM 1427 C ASN A 95 -6.467 -21.377 -10.102 1.00 0.00 C ATOM 1428 O ASN A 95 -6.958 -22.099 -10.968 1.00 0.00 O ATOM 1429 CB ASN A 95 -8.603 -21.111 -8.880 1.00 0.00 C ATOM 1430 CG ASN A 95 -9.359 -22.389 -8.510 1.00 0.00 C ATOM 1431 OD1 ASN A 95 -9.851 -22.553 -7.405 1.00 0.00 O ATOM 1432 ND2 ASN A 95 -9.425 -23.283 -9.493 1.00 0.00 N ATOM 0 H ASN A 95 -6.897 -19.272 -8.213 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.906 -22.209 -8.141 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -8.944 -20.288 -8.253 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -8.825 -20.839 -9.912 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -9.909 -24.169 -9.345 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -8.992 -23.083 -10.394 1.00 0.00 H new ATOM 1439 N LYS A 96 -5.391 -20.623 -10.275 1.00 0.00 N ATOM 1440 CA LYS A 96 -4.692 -20.598 -11.549 1.00 0.00 C ATOM 1441 C LYS A 96 -3.287 -21.177 -11.366 1.00 0.00 C ATOM 1442 O LYS A 96 -3.072 -22.370 -11.574 1.00 0.00 O ATOM 1443 CB LYS A 96 -4.703 -19.186 -12.139 1.00 0.00 C ATOM 1444 CG LYS A 96 -6.110 -18.792 -12.592 1.00 0.00 C ATOM 1445 CD LYS A 96 -6.054 -17.824 -13.775 1.00 0.00 C ATOM 1446 CE LYS A 96 -6.948 -18.305 -14.920 1.00 0.00 C ATOM 1447 NZ LYS A 96 -8.249 -17.600 -14.894 1.00 0.00 N ATOM 0 H LYS A 96 -4.986 -20.025 -9.554 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.205 -21.227 -12.277 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -4.344 -18.475 -11.395 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.017 -19.136 -12.985 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.668 -19.685 -12.874 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.646 -18.329 -11.764 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.371 -16.832 -13.453 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -5.026 -17.732 -14.126 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -6.452 -18.130 -15.875 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.109 -19.380 -14.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.843 -17.939 -15.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.728 -17.788 -13.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.092 -16.577 -14.996 1.00 0.00 H new ATOM 1461 N SER A 97 -2.368 -20.305 -10.978 1.00 0.00 N ATOM 1462 CA SER A 97 -0.991 -20.714 -10.765 1.00 0.00 C ATOM 1463 C SER A 97 -0.787 -21.125 -9.305 1.00 0.00 C ATOM 1464 O SER A 97 -1.548 -20.716 -8.429 1.00 0.00 O ATOM 1465 CB SER A 97 -0.018 -19.595 -11.142 1.00 0.00 C ATOM 1466 OG SER A 97 -0.017 -19.338 -12.543 1.00 0.00 O ATOM 0 H SER A 97 -2.551 -19.316 -10.806 1.00 0.00 H new ATOM 0 HA SER A 97 -0.785 -21.569 -11.409 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.288 -18.685 -10.607 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.988 -19.867 -10.823 1.00 0.00 H new ATOM 0 HG SER A 97 0.615 -18.616 -12.743 1.00 0.00 H new ATOM 1472 N ALA A 98 0.244 -21.929 -9.088 1.00 0.00 N ATOM 1473 CA ALA A 98 0.557 -22.400 -7.750 1.00 0.00 C ATOM 1474 C ALA A 98 1.667 -21.531 -7.155 1.00 0.00 C ATOM 1475 O ALA A 98 2.844 -21.736 -7.448 1.00 0.00 O ATOM 1476 CB ALA A 98 0.941 -23.879 -7.806 1.00 0.00 C ATOM 0 H ALA A 98 0.873 -22.266 -9.817 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.313 -22.314 -7.099 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.176 -24.232 -6.802 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.108 -24.456 -8.208 1.00 0.00 H new ATOM 0 HB3 ALA A 98 1.813 -24.004 -8.448 1.00 0.00 H new ATOM 1482 N HIS A 99 1.254 -20.580 -6.331 1.00 0.00 N ATOM 1483 CA HIS A 99 2.199 -19.679 -5.693 1.00 0.00 C ATOM 1484 C HIS A 99 1.526 -18.985 -4.508 1.00 0.00 C ATOM 1485 O HIS A 99 0.301 -18.885 -4.455 1.00 0.00 O ATOM 1486 CB HIS A 99 2.778 -18.691 -6.708 1.00 0.00 C ATOM 1487 CG HIS A 99 3.504 -17.524 -6.083 1.00 0.00 C ATOM 1488 ND1 HIS A 99 4.675 -17.669 -5.359 1.00 0.00 N ATOM 1489 CD2 HIS A 99 3.214 -16.191 -6.083 1.00 0.00 C ATOM 1490 CE1 HIS A 99 5.062 -16.472 -4.945 1.00 0.00 C ATOM 1491 NE2 HIS A 99 4.155 -15.557 -5.394 1.00 0.00 N ATOM 0 H HIS A 99 0.277 -20.413 -6.090 1.00 0.00 H new ATOM 0 HA HIS A 99 3.044 -20.248 -5.304 1.00 0.00 H new ATOM 0 HB2 HIS A 99 3.465 -19.223 -7.366 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.969 -18.311 -7.332 1.00 0.00 H new ATOM 0 HD2 HIS A 99 2.363 -15.730 -6.562 1.00 0.00 H new ATOM 0 HE1 HIS A 99 5.941 -16.258 -4.355 1.00 0.00 H new ATOM 0 HE2 HIS A 99 4.194 -14.551 -5.228 1.00 0.00 H new ATOM 1499 N ARG A 100 2.357 -18.523 -3.585 1.00 0.00 N ATOM 1500 CA ARG A 100 1.857 -17.840 -2.403 1.00 0.00 C ATOM 1501 C ARG A 100 2.453 -16.434 -2.310 1.00 0.00 C ATOM 1502 O ARG A 100 3.515 -16.244 -1.719 1.00 0.00 O ATOM 1503 CB ARG A 100 2.202 -18.618 -1.131 1.00 0.00 C ATOM 1504 CG ARG A 100 1.049 -19.535 -0.720 1.00 0.00 C ATOM 1505 CD ARG A 100 -0.036 -18.753 0.022 1.00 0.00 C ATOM 1506 NE ARG A 100 -0.497 -19.520 1.201 1.00 0.00 N ATOM 1507 CZ ARG A 100 0.244 -19.730 2.297 1.00 0.00 C ATOM 1508 NH1 ARG A 100 1.485 -19.232 2.372 1.00 0.00 N ATOM 1509 NH2 ARG A 100 -0.257 -20.438 3.319 1.00 0.00 N ATOM 0 H ARG A 100 3.372 -18.608 -3.631 1.00 0.00 H new ATOM 0 HA ARG A 100 0.773 -17.773 -2.492 1.00 0.00 H new ATOM 0 HB2 ARG A 100 3.102 -19.211 -1.296 1.00 0.00 H new ATOM 0 HB3 ARG A 100 2.423 -17.921 -0.323 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.622 -20.006 -1.605 1.00 0.00 H new ATOM 0 HG3 ARG A 100 1.426 -20.335 -0.083 1.00 0.00 H new ATOM 0 HD2 ARG A 100 0.353 -17.785 0.337 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -0.875 -18.557 -0.645 1.00 0.00 H new ATOM 0 HE ARG A 100 -1.438 -19.913 1.177 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.866 -18.693 1.595 1.00 0.00 H new ATOM 0 HH12 ARG A 100 2.049 -19.392 3.207 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.202 -20.817 3.262 1.00 0.00 H new ATOM 0 HH22 ARG A 100 0.307 -20.598 4.154 1.00 0.00 H new ATOM 1523 N PRO A 101 1.725 -15.460 -2.919 1.00 0.00 N ATOM 1524 CA PRO A 101 2.171 -14.077 -2.910 1.00 0.00 C ATOM 1525 C PRO A 101 1.946 -13.437 -1.539 1.00 0.00 C ATOM 1526 O PRO A 101 1.148 -13.930 -0.743 1.00 0.00 O ATOM 1527 CB PRO A 101 1.379 -13.402 -4.018 1.00 0.00 C ATOM 1528 CG PRO A 101 0.191 -14.310 -4.294 1.00 0.00 C ATOM 1529 CD PRO A 101 0.463 -15.649 -3.628 1.00 0.00 C ATOM 0 HA PRO A 101 3.242 -13.979 -3.087 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.049 -12.409 -3.713 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.989 -13.274 -4.912 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -0.726 -13.869 -3.903 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.050 -14.439 -5.367 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.340 -15.921 -2.942 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.538 -16.449 -4.364 1.00 0.00 H new ATOM 1537 N HIS A 102 2.663 -12.348 -1.305 1.00 0.00 N ATOM 1538 CA HIS A 102 2.552 -11.635 -0.044 1.00 0.00 C ATOM 1539 C HIS A 102 1.324 -10.724 -0.076 1.00 0.00 C ATOM 1540 O HIS A 102 1.356 -9.654 -0.682 1.00 0.00 O ATOM 1541 CB HIS A 102 3.844 -10.878 0.268 1.00 0.00 C ATOM 1542 CG HIS A 102 5.051 -11.768 0.446 1.00 0.00 C ATOM 1543 ND1 HIS A 102 6.270 -11.750 -0.166 1.00 0.00 N flip ATOM 1544 CD2 HIS A 102 5.078 -12.825 1.339 1.00 0.00 C flip ATOM 1545 CE1 HIS A 102 7.002 -12.740 0.329 1.00 0.00 C flip ATOM 1546 NE2 HIS A 102 6.265 -13.408 1.262 1.00 0.00 N flip ATOM 0 H HIS A 102 3.323 -11.942 -1.968 1.00 0.00 H new ATOM 0 HA HIS A 102 2.412 -12.347 0.769 1.00 0.00 H new ATOM 0 HB2 HIS A 102 4.042 -10.171 -0.538 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.700 -10.293 1.176 1.00 0.00 H new ATOM 0 HD2 HIS A 102 4.269 -13.124 1.989 1.00 0.00 H new ATOM 0 HE1 HIS A 102 8.015 -12.978 0.040 1.00 0.00 H new ATOM 0 HE2 HIS A 102 6.573 -14.215 1.805 1.00 0.00 H new ATOM 1554 N VAL A 103 0.270 -11.181 0.584 1.00 0.00 N ATOM 1555 CA VAL A 103 -0.967 -10.420 0.638 1.00 0.00 C ATOM 1556 C VAL A 103 -0.955 -9.523 1.878 1.00 0.00 C ATOM 1557 O VAL A 103 -1.244 -9.980 2.983 1.00 0.00 O ATOM 1558 CB VAL A 103 -2.167 -11.368 0.599 1.00 0.00 C ATOM 1559 CG1 VAL A 103 -3.482 -10.587 0.569 1.00 0.00 C ATOM 1560 CG2 VAL A 103 -2.070 -12.326 -0.591 1.00 0.00 C ATOM 0 H VAL A 103 0.247 -12.069 1.086 1.00 0.00 H new ATOM 0 HA VAL A 103 -1.054 -9.771 -0.233 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.153 -11.964 1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.319 -11.285 0.542 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -3.557 -9.966 1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.509 -9.953 -0.317 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.935 -12.989 -0.596 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.047 -11.753 -1.518 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.159 -12.919 -0.508 1.00 0.00 H new ATOM 1570 N VAL A 104 -0.617 -8.262 1.653 1.00 0.00 N ATOM 1571 CA VAL A 104 -0.563 -7.296 2.738 1.00 0.00 C ATOM 1572 C VAL A 104 -1.358 -6.049 2.345 1.00 0.00 C ATOM 1573 O VAL A 104 -1.844 -5.947 1.219 1.00 0.00 O ATOM 1574 CB VAL A 104 0.893 -6.990 3.094 1.00 0.00 C ATOM 1575 CG1 VAL A 104 1.601 -8.237 3.627 1.00 0.00 C ATOM 1576 CG2 VAL A 104 1.640 -6.407 1.893 1.00 0.00 C ATOM 0 H VAL A 104 -0.378 -7.886 0.735 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.024 -7.705 3.637 1.00 0.00 H new ATOM 0 HB VAL A 104 0.894 -6.240 3.885 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.634 -7.992 3.872 1.00 0.00 H new ATOM 0 HG12 VAL A 104 1.090 -8.591 4.522 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.584 -9.018 2.867 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.673 -6.198 2.173 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.624 -7.124 1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.156 -5.483 1.577 1.00 0.00 H new ATOM 1586 N GLY A 105 -1.466 -5.132 3.294 1.00 0.00 N ATOM 1587 CA GLY A 105 -2.193 -3.896 3.062 1.00 0.00 C ATOM 1588 C GLY A 105 -1.235 -2.751 2.724 1.00 0.00 C ATOM 1589 O GLY A 105 -0.099 -2.729 3.194 1.00 0.00 O ATOM 0 H GLY A 105 -1.062 -5.220 4.226 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -2.902 -4.035 2.246 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.774 -3.640 3.948 1.00 0.00 H new ATOM 1593 N ALA A 106 -1.730 -1.829 1.912 1.00 0.00 N ATOM 1594 CA ALA A 106 -0.932 -0.684 1.506 1.00 0.00 C ATOM 1595 C ALA A 106 -0.161 -0.151 2.715 1.00 0.00 C ATOM 1596 O ALA A 106 0.979 0.292 2.583 1.00 0.00 O ATOM 1597 CB ALA A 106 -1.841 0.376 0.881 1.00 0.00 C ATOM 0 H ALA A 106 -2.673 -1.851 1.524 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.202 -0.974 0.751 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.243 1.235 0.577 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -2.343 -0.044 0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.586 0.693 1.611 1.00 0.00 H new ATOM 1603 N LYS A 107 -0.814 -0.211 3.867 1.00 0.00 N ATOM 1604 CA LYS A 107 -0.203 0.260 5.099 1.00 0.00 C ATOM 1605 C LYS A 107 1.285 -0.093 5.093 1.00 0.00 C ATOM 1606 O LYS A 107 2.131 0.765 5.340 1.00 0.00 O ATOM 1607 CB LYS A 107 -0.959 -0.283 6.313 1.00 0.00 C ATOM 1608 CG LYS A 107 -0.768 0.626 7.529 1.00 0.00 C ATOM 1609 CD LYS A 107 -1.987 0.572 8.451 1.00 0.00 C ATOM 1610 CE LYS A 107 -1.663 1.164 9.824 1.00 0.00 C ATOM 1611 NZ LYS A 107 -2.717 2.117 10.240 1.00 0.00 N ATOM 0 H LYS A 107 -1.760 -0.578 3.973 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.273 1.346 5.168 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.020 -0.364 6.078 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -0.606 -1.288 6.546 1.00 0.00 H new ATOM 0 HG2 LYS A 107 0.122 0.321 8.079 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.603 1.651 7.198 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.813 1.122 8.000 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -2.316 -0.461 8.565 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -1.576 0.365 10.560 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -0.699 1.671 9.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.481 2.509 11.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.781 2.889 9.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.631 1.623 10.293 1.00 0.00 H new ATOM 1625 N TRP A 108 1.560 -1.357 4.807 1.00 0.00 N ATOM 1626 CA TRP A 108 2.932 -1.834 4.766 1.00 0.00 C ATOM 1627 C TRP A 108 3.701 -0.974 3.762 1.00 0.00 C ATOM 1628 O TRP A 108 4.630 -0.259 4.135 1.00 0.00 O ATOM 1629 CB TRP A 108 2.983 -3.327 4.437 1.00 0.00 C ATOM 1630 CG TRP A 108 4.376 -3.833 4.057 1.00 0.00 C ATOM 1631 CD1 TRP A 108 5.367 -4.214 4.875 1.00 0.00 C ATOM 1632 CD2 TRP A 108 4.896 -3.999 2.721 1.00 0.00 C ATOM 1633 NE1 TRP A 108 6.483 -4.611 4.167 1.00 0.00 N ATOM 1634 CE2 TRP A 108 6.188 -4.477 2.816 1.00 0.00 C ATOM 1635 CE3 TRP A 108 4.295 -3.754 1.474 1.00 0.00 C ATOM 1636 CZ2 TRP A 108 6.988 -4.750 1.700 1.00 0.00 C ATOM 1637 CZ3 TRP A 108 5.108 -4.032 0.368 1.00 0.00 C ATOM 1638 CH2 TRP A 108 6.410 -4.513 0.447 1.00 0.00 C ATOM 0 H TRP A 108 0.856 -2.066 4.601 1.00 0.00 H new ATOM 0 HA TRP A 108 3.405 -1.735 5.743 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.625 -3.891 5.299 1.00 0.00 H new ATOM 0 HB3 TRP A 108 2.297 -3.531 3.615 1.00 0.00 H new ATOM 0 HD1 TRP A 108 5.300 -4.211 5.953 1.00 0.00 H new ATOM 0 HE1 TRP A 108 7.363 -4.942 4.563 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.286 -3.381 1.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 7.996 -5.123 1.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 4.695 -3.861 -0.615 1.00 0.00 H new ATOM 0 HH2 TRP A 108 6.973 -4.703 -0.455 1.00 0.00 H new ATOM 1649 N LEU A 109 3.286 -1.071 2.508 1.00 0.00 N ATOM 1650 CA LEU A 109 3.925 -0.310 1.447 1.00 0.00 C ATOM 1651 C LEU A 109 4.249 1.095 1.957 1.00 0.00 C ATOM 1652 O LEU A 109 5.369 1.576 1.794 1.00 0.00 O ATOM 1653 CB LEU A 109 3.062 -0.322 0.184 1.00 0.00 C ATOM 1654 CG LEU A 109 3.731 -0.865 -1.081 1.00 0.00 C ATOM 1655 CD1 LEU A 109 2.945 -0.464 -2.331 1.00 0.00 C ATOM 1656 CD2 LEU A 109 5.194 -0.426 -1.158 1.00 0.00 C ATOM 0 H LEU A 109 2.515 -1.665 2.202 1.00 0.00 H new ATOM 0 HA LEU A 109 4.870 -0.772 1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.170 -0.916 0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.729 0.697 -0.014 1.00 0.00 H new ATOM 0 HG LEU A 109 3.724 -1.954 -1.032 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.441 -0.862 -3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 109 1.934 -0.867 -2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.899 0.623 -2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.646 -0.825 -2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 109 5.247 0.663 -1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 109 5.733 -0.802 -0.289 1.00 0.00 H new ATOM 1668 N LEU A 110 3.248 1.715 2.565 1.00 0.00 N ATOM 1669 CA LEU A 110 3.412 3.055 3.101 1.00 0.00 C ATOM 1670 C LEU A 110 4.636 3.087 4.018 1.00 0.00 C ATOM 1671 O LEU A 110 5.601 3.800 3.748 1.00 0.00 O ATOM 1672 CB LEU A 110 2.123 3.523 3.778 1.00 0.00 C ATOM 1673 CG LEU A 110 0.860 3.485 2.916 1.00 0.00 C ATOM 1674 CD1 LEU A 110 -0.348 4.021 3.688 1.00 0.00 C ATOM 1675 CD2 LEU A 110 1.073 4.231 1.597 1.00 0.00 C ATOM 0 H LEU A 110 2.320 1.313 2.698 1.00 0.00 H new ATOM 0 HA LEU A 110 3.598 3.767 2.297 1.00 0.00 H new ATOM 0 HB2 LEU A 110 1.955 2.906 4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.270 4.545 4.127 1.00 0.00 H new ATOM 0 HG LEU A 110 0.648 2.445 2.668 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.232 3.983 3.052 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.513 3.410 4.576 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.160 5.052 3.987 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.160 4.189 1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.323 5.272 1.804 1.00 0.00 H new ATOM 0 HD23 LEU A 110 1.888 3.765 1.043 1.00 0.00 H new ATOM 1687 N GLU A 111 4.556 2.306 5.085 1.00 0.00 N ATOM 1688 CA GLU A 111 5.645 2.236 6.045 1.00 0.00 C ATOM 1689 C GLU A 111 6.977 2.026 5.321 1.00 0.00 C ATOM 1690 O GLU A 111 7.952 2.726 5.593 1.00 0.00 O ATOM 1691 CB GLU A 111 5.400 1.130 7.073 1.00 0.00 C ATOM 1692 CG GLU A 111 4.013 1.266 7.705 1.00 0.00 C ATOM 1693 CD GLU A 111 4.119 1.656 9.181 1.00 0.00 C ATOM 1694 OE1 GLU A 111 4.963 2.529 9.478 1.00 0.00 O ATOM 1695 OE2 GLU A 111 3.354 1.072 9.978 1.00 0.00 O ATOM 0 H GLU A 111 3.754 1.716 5.306 1.00 0.00 H new ATOM 0 HA GLU A 111 5.691 3.183 6.583 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.491 0.156 6.593 1.00 0.00 H new ATOM 0 HB3 GLU A 111 6.163 1.175 7.850 1.00 0.00 H new ATOM 0 HG2 GLU A 111 3.436 2.018 7.167 1.00 0.00 H new ATOM 0 HG3 GLU A 111 3.473 0.324 7.612 1.00 0.00 H new ATOM 1702 N CYS A 112 6.976 1.061 4.414 1.00 0.00 N ATOM 1703 CA CYS A 112 8.172 0.750 3.650 1.00 0.00 C ATOM 1704 C CYS A 112 8.852 2.066 3.267 1.00 0.00 C ATOM 1705 O CYS A 112 10.014 2.289 3.602 1.00 0.00 O ATOM 1706 CB CYS A 112 7.853 -0.106 2.422 1.00 0.00 C ATOM 1707 SG CYS A 112 7.195 -1.731 2.947 1.00 0.00 S ATOM 0 H CYS A 112 6.165 0.484 4.191 1.00 0.00 H new ATOM 0 HA CYS A 112 8.851 0.154 4.260 1.00 0.00 H new ATOM 0 HB2 CYS A 112 7.125 0.404 1.792 1.00 0.00 H new ATOM 0 HB3 CYS A 112 8.752 -0.245 1.822 1.00 0.00 H new ATOM 0 HG CYS A 112 7.340 -2.590 1.982 1.00 0.00 H new ATOM 1713 N PHE A 113 8.098 2.904 2.570 1.00 0.00 N ATOM 1714 CA PHE A 113 8.614 4.192 2.137 1.00 0.00 C ATOM 1715 C PHE A 113 8.906 5.096 3.337 1.00 0.00 C ATOM 1716 O PHE A 113 10.038 5.537 3.525 1.00 0.00 O ATOM 1717 CB PHE A 113 7.529 4.842 1.276 1.00 0.00 C ATOM 1718 CG PHE A 113 7.414 4.250 -0.130 1.00 0.00 C ATOM 1719 CD1 PHE A 113 8.334 4.568 -1.080 1.00 0.00 C ATOM 1720 CD2 PHE A 113 6.391 3.406 -0.431 1.00 0.00 C ATOM 1721 CE1 PHE A 113 8.227 4.018 -2.385 1.00 0.00 C ATOM 1722 CE2 PHE A 113 6.283 2.856 -1.736 1.00 0.00 C ATOM 1723 CZ PHE A 113 7.204 3.174 -2.685 1.00 0.00 C ATOM 0 H PHE A 113 7.134 2.716 2.294 1.00 0.00 H new ATOM 0 HA PHE A 113 9.543 4.054 1.584 1.00 0.00 H new ATOM 0 HB2 PHE A 113 6.569 4.741 1.782 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.735 5.909 1.194 1.00 0.00 H new ATOM 0 HD1 PHE A 113 9.146 5.239 -0.842 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.660 3.154 0.323 1.00 0.00 H new ATOM 0 HE1 PHE A 113 8.958 4.270 -3.139 1.00 0.00 H new ATOM 0 HE2 PHE A 113 5.470 2.186 -1.975 1.00 0.00 H new ATOM 0 HZ PHE A 113 7.123 2.756 -3.677 1.00 0.00 H new ATOM 1733 N SER A 114 7.864 5.345 4.117 1.00 0.00 N ATOM 1734 CA SER A 114 7.994 6.189 5.292 1.00 0.00 C ATOM 1735 C SER A 114 9.219 5.766 6.107 1.00 0.00 C ATOM 1736 O SER A 114 9.960 6.612 6.604 1.00 0.00 O ATOM 1737 CB SER A 114 6.734 6.127 6.157 1.00 0.00 C ATOM 1738 OG SER A 114 6.461 7.372 6.794 1.00 0.00 O ATOM 0 H SER A 114 6.926 4.977 3.958 1.00 0.00 H new ATOM 0 HA SER A 114 8.124 7.219 4.960 1.00 0.00 H new ATOM 0 HB2 SER A 114 5.883 5.842 5.538 1.00 0.00 H new ATOM 0 HB3 SER A 114 6.852 5.351 6.913 1.00 0.00 H new ATOM 0 HG SER A 114 5.648 7.291 7.335 1.00 0.00 H new ATOM 1744 N LYS A 115 9.392 4.457 6.218 1.00 0.00 N ATOM 1745 CA LYS A 115 10.514 3.912 6.964 1.00 0.00 C ATOM 1746 C LYS A 115 11.776 3.981 6.101 1.00 0.00 C ATOM 1747 O LYS A 115 12.889 4.012 6.625 1.00 0.00 O ATOM 1748 CB LYS A 115 10.189 2.504 7.466 1.00 0.00 C ATOM 1749 CG LYS A 115 8.767 2.436 8.027 1.00 0.00 C ATOM 1750 CD LYS A 115 8.783 2.380 9.556 1.00 0.00 C ATOM 1751 CE LYS A 115 8.641 0.940 10.053 1.00 0.00 C ATOM 1752 NZ LYS A 115 8.901 0.866 11.508 1.00 0.00 N ATOM 0 H LYS A 115 8.775 3.758 5.804 1.00 0.00 H new ATOM 0 HA LYS A 115 10.704 4.508 7.856 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.296 1.789 6.650 1.00 0.00 H new ATOM 0 HB3 LYS A 115 10.902 2.216 8.238 1.00 0.00 H new ATOM 0 HG2 LYS A 115 8.200 3.307 7.697 1.00 0.00 H new ATOM 0 HG3 LYS A 115 8.258 1.556 7.633 1.00 0.00 H new ATOM 0 HD2 LYS A 115 9.714 2.807 9.929 1.00 0.00 H new ATOM 0 HD3 LYS A 115 7.971 2.988 9.954 1.00 0.00 H new ATOM 0 HE2 LYS A 115 7.638 0.572 9.838 1.00 0.00 H new ATOM 0 HE3 LYS A 115 9.339 0.294 9.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 8.800 -0.118 11.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 9.867 1.198 11.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 8.219 1.466 12.014 1.00 0.00 H new ATOM 1766 N GLY A 116 11.560 4.004 4.794 1.00 0.00 N ATOM 1767 CA GLY A 116 12.667 4.069 3.854 1.00 0.00 C ATOM 1768 C GLY A 116 13.137 2.666 3.463 1.00 0.00 C ATOM 1769 O GLY A 116 13.850 2.500 2.474 1.00 0.00 O ATOM 0 H GLY A 116 10.636 3.979 4.364 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.360 4.615 2.962 1.00 0.00 H new ATOM 0 HA3 GLY A 116 13.494 4.623 4.298 1.00 0.00 H new ATOM 1773 N TYR A 117 12.718 1.693 4.259 1.00 0.00 N ATOM 1774 CA TYR A 117 13.088 0.310 4.008 1.00 0.00 C ATOM 1775 C TYR A 117 11.867 -0.608 4.098 1.00 0.00 C ATOM 1776 O TYR A 117 10.837 -0.225 4.649 1.00 0.00 O ATOM 1777 CB TYR A 117 14.078 -0.068 5.111 1.00 0.00 C ATOM 1778 CG TYR A 117 13.431 -0.733 6.327 1.00 0.00 C ATOM 1779 CD1 TYR A 117 12.253 -0.232 6.843 1.00 0.00 C ATOM 1780 CD2 TYR A 117 14.026 -1.834 6.909 1.00 0.00 C ATOM 1781 CE1 TYR A 117 11.644 -0.858 7.988 1.00 0.00 C ATOM 1782 CE2 TYR A 117 13.417 -2.460 8.054 1.00 0.00 C ATOM 1783 CZ TYR A 117 12.256 -1.941 8.537 1.00 0.00 C ATOM 1784 OH TYR A 117 11.681 -2.532 9.619 1.00 0.00 O ATOM 0 H TYR A 117 12.126 1.835 5.078 1.00 0.00 H new ATOM 0 HA TYR A 117 13.513 0.201 3.010 1.00 0.00 H new ATOM 0 HB2 TYR A 117 14.827 -0.743 4.697 1.00 0.00 H new ATOM 0 HB3 TYR A 117 14.603 0.830 5.437 1.00 0.00 H new ATOM 0 HD1 TYR A 117 11.788 0.630 6.388 1.00 0.00 H new ATOM 0 HD2 TYR A 117 14.948 -2.226 6.506 1.00 0.00 H new ATOM 0 HE1 TYR A 117 10.722 -0.476 8.401 1.00 0.00 H new ATOM 0 HE2 TYR A 117 13.872 -3.322 8.519 1.00 0.00 H new ATOM 0 HH TYR A 117 12.227 -3.294 9.904 1.00 0.00 H new ATOM 1794 N MET A 118 12.024 -1.803 3.549 1.00 0.00 N ATOM 1795 CA MET A 118 10.948 -2.780 3.560 1.00 0.00 C ATOM 1796 C MET A 118 10.815 -3.433 4.937 1.00 0.00 C ATOM 1797 O MET A 118 11.811 -3.640 5.629 1.00 0.00 O ATOM 1798 CB MET A 118 11.224 -3.856 2.509 1.00 0.00 C ATOM 1799 CG MET A 118 11.137 -3.278 1.095 1.00 0.00 C ATOM 1800 SD MET A 118 11.713 -4.479 -0.093 1.00 0.00 S ATOM 1801 CE MET A 118 10.196 -5.370 -0.393 1.00 0.00 C ATOM 0 H MET A 118 12.881 -2.117 3.093 1.00 0.00 H new ATOM 0 HA MET A 118 10.014 -2.267 3.330 1.00 0.00 H new ATOM 0 HB2 MET A 118 12.214 -4.282 2.671 1.00 0.00 H new ATOM 0 HB3 MET A 118 10.506 -4.669 2.618 1.00 0.00 H new ATOM 0 HG2 MET A 118 10.108 -2.997 0.871 1.00 0.00 H new ATOM 0 HG3 MET A 118 11.737 -2.370 1.027 1.00 0.00 H new ATOM 0 HE1 MET A 118 10.377 -6.163 -1.118 1.00 0.00 H new ATOM 0 HE2 MET A 118 9.839 -5.806 0.540 1.00 0.00 H new ATOM 0 HE3 MET A 118 9.443 -4.686 -0.785 1.00 0.00 H new ATOM 1811 N LEU A 119 9.576 -3.739 5.294 1.00 0.00 N ATOM 1812 CA LEU A 119 9.300 -4.364 6.576 1.00 0.00 C ATOM 1813 C LEU A 119 8.707 -5.755 6.343 1.00 0.00 C ATOM 1814 O LEU A 119 8.538 -6.179 5.200 1.00 0.00 O ATOM 1815 CB LEU A 119 8.418 -3.456 7.436 1.00 0.00 C ATOM 1816 CG LEU A 119 8.530 -1.956 7.161 1.00 0.00 C ATOM 1817 CD1 LEU A 119 8.135 -1.632 5.719 1.00 0.00 C ATOM 1818 CD2 LEU A 119 7.714 -1.150 8.173 1.00 0.00 C ATOM 0 H LEU A 119 8.752 -3.566 4.718 1.00 0.00 H new ATOM 0 HA LEU A 119 10.223 -4.500 7.140 1.00 0.00 H new ATOM 0 HB2 LEU A 119 7.379 -3.754 7.296 1.00 0.00 H new ATOM 0 HB3 LEU A 119 8.662 -3.632 8.484 1.00 0.00 H new ATOM 0 HG LEU A 119 9.573 -1.664 7.283 1.00 0.00 H new ATOM 0 HD11 LEU A 119 8.223 -0.559 5.550 1.00 0.00 H new ATOM 0 HD12 LEU A 119 8.795 -2.163 5.033 1.00 0.00 H new ATOM 0 HD13 LEU A 119 7.105 -1.943 5.545 1.00 0.00 H new ATOM 0 HD21 LEU A 119 7.811 -0.087 7.954 1.00 0.00 H new ATOM 0 HD22 LEU A 119 6.665 -1.439 8.108 1.00 0.00 H new ATOM 0 HD23 LEU A 119 8.083 -1.349 9.179 1.00 0.00 H new ATOM 1830 N SER A 120 8.407 -6.428 7.445 1.00 0.00 N ATOM 1831 CA SER A 120 7.837 -7.763 7.374 1.00 0.00 C ATOM 1832 C SER A 120 6.419 -7.697 6.804 1.00 0.00 C ATOM 1833 O SER A 120 5.685 -6.745 7.065 1.00 0.00 O ATOM 1834 CB SER A 120 7.825 -8.430 8.751 1.00 0.00 C ATOM 1835 OG SER A 120 9.142 -8.664 9.243 1.00 0.00 O ATOM 0 H SER A 120 8.548 -6.074 8.391 1.00 0.00 H new ATOM 0 HA SER A 120 8.459 -8.366 6.713 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.282 -7.799 9.455 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.287 -9.376 8.691 1.00 0.00 H new ATOM 0 HG SER A 120 9.091 -9.089 10.124 1.00 0.00 H new ATOM 1841 N GLU A 121 6.077 -8.720 6.035 1.00 0.00 N ATOM 1842 CA GLU A 121 4.760 -8.790 5.425 1.00 0.00 C ATOM 1843 C GLU A 121 3.813 -9.615 6.299 1.00 0.00 C ATOM 1844 O GLU A 121 2.610 -9.659 6.048 1.00 0.00 O ATOM 1845 CB GLU A 121 4.841 -9.366 4.010 1.00 0.00 C ATOM 1846 CG GLU A 121 5.817 -8.565 3.147 1.00 0.00 C ATOM 1847 CD GLU A 121 6.943 -9.457 2.620 1.00 0.00 C ATOM 1848 OE1 GLU A 121 7.286 -10.421 3.338 1.00 0.00 O ATOM 1849 OE2 GLU A 121 7.435 -9.155 1.511 1.00 0.00 O ATOM 0 H GLU A 121 6.689 -9.507 5.820 1.00 0.00 H new ATOM 0 HA GLU A 121 4.363 -7.778 5.348 1.00 0.00 H new ATOM 0 HB2 GLU A 121 5.160 -10.407 4.055 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.852 -9.355 3.552 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.283 -8.115 2.310 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.239 -7.748 3.732 1.00 0.00 H new ATOM 1856 N GLU A 122 4.393 -10.249 7.308 1.00 0.00 N ATOM 1857 CA GLU A 122 3.616 -11.070 8.221 1.00 0.00 C ATOM 1858 C GLU A 122 2.772 -10.186 9.143 1.00 0.00 C ATOM 1859 O GLU A 122 1.595 -10.463 9.367 1.00 0.00 O ATOM 1860 CB GLU A 122 4.523 -11.998 9.031 1.00 0.00 C ATOM 1861 CG GLU A 122 4.866 -13.260 8.237 1.00 0.00 C ATOM 1862 CD GLU A 122 5.239 -14.412 9.172 1.00 0.00 C ATOM 1863 OE1 GLU A 122 4.388 -14.749 10.024 1.00 0.00 O ATOM 1864 OE2 GLU A 122 6.365 -14.931 9.013 1.00 0.00 O ATOM 0 H GLU A 122 5.391 -10.211 7.513 1.00 0.00 H new ATOM 0 HA GLU A 122 2.943 -11.695 7.634 1.00 0.00 H new ATOM 0 HB2 GLU A 122 5.440 -11.473 9.300 1.00 0.00 H new ATOM 0 HB3 GLU A 122 4.029 -12.273 9.963 1.00 0.00 H new ATOM 0 HG2 GLU A 122 4.015 -13.549 7.620 1.00 0.00 H new ATOM 0 HG3 GLU A 122 5.695 -13.054 7.560 1.00 0.00 H new ATOM 1871 N PRO A 123 3.425 -9.114 9.666 1.00 0.00 N ATOM 1872 CA PRO A 123 2.748 -8.188 10.558 1.00 0.00 C ATOM 1873 C PRO A 123 1.796 -7.275 9.782 1.00 0.00 C ATOM 1874 O PRO A 123 1.137 -6.418 10.368 1.00 0.00 O ATOM 1875 CB PRO A 123 3.863 -7.428 11.256 1.00 0.00 C ATOM 1876 CG PRO A 123 5.102 -7.625 10.399 1.00 0.00 C ATOM 1877 CD PRO A 123 4.819 -8.755 9.423 1.00 0.00 C ATOM 0 HA PRO A 123 2.113 -8.693 11.285 1.00 0.00 H new ATOM 0 HB2 PRO A 123 3.616 -6.370 11.348 1.00 0.00 H new ATOM 0 HB3 PRO A 123 4.022 -7.808 12.265 1.00 0.00 H new ATOM 0 HG2 PRO A 123 5.344 -6.708 9.862 1.00 0.00 H new ATOM 0 HG3 PRO A 123 5.963 -7.866 11.022 1.00 0.00 H new ATOM 0 HD2 PRO A 123 4.972 -8.435 8.392 1.00 0.00 H new ATOM 0 HD3 PRO A 123 5.482 -9.603 9.596 1.00 0.00 H new ATOM 1885 N TYR A 124 1.756 -7.490 8.475 1.00 0.00 N ATOM 1886 CA TYR A 124 0.896 -6.697 7.613 1.00 0.00 C ATOM 1887 C TYR A 124 0.118 -7.590 6.644 1.00 0.00 C ATOM 1888 O TYR A 124 -0.140 -7.200 5.506 1.00 0.00 O ATOM 1889 CB TYR A 124 1.828 -5.786 6.811 1.00 0.00 C ATOM 1890 CG TYR A 124 2.378 -4.602 7.609 1.00 0.00 C ATOM 1891 CD1 TYR A 124 1.650 -3.433 7.699 1.00 0.00 C ATOM 1892 CD2 TYR A 124 3.602 -4.703 8.238 1.00 0.00 C ATOM 1893 CE1 TYR A 124 2.167 -2.319 8.449 1.00 0.00 C ATOM 1894 CE2 TYR A 124 4.120 -3.588 8.988 1.00 0.00 C ATOM 1895 CZ TYR A 124 3.377 -2.451 9.057 1.00 0.00 C ATOM 1896 OH TYR A 124 3.866 -1.398 9.766 1.00 0.00 O ATOM 0 H TYR A 124 2.305 -8.201 7.992 1.00 0.00 H new ATOM 0 HA TYR A 124 0.171 -6.138 8.204 1.00 0.00 H new ATOM 0 HB2 TYR A 124 2.663 -6.377 6.436 1.00 0.00 H new ATOM 0 HB3 TYR A 124 1.290 -5.407 5.942 1.00 0.00 H new ATOM 0 HD1 TYR A 124 0.692 -3.354 7.206 1.00 0.00 H new ATOM 0 HD2 TYR A 124 4.171 -5.618 8.168 1.00 0.00 H new ATOM 0 HE1 TYR A 124 1.607 -1.399 8.528 1.00 0.00 H new ATOM 0 HE2 TYR A 124 5.077 -3.653 9.484 1.00 0.00 H new ATOM 0 HH TYR A 124 3.251 -0.639 9.690 1.00 0.00 H new ATOM 1906 N ILE A 125 -0.235 -8.770 7.131 1.00 0.00 N ATOM 1907 CA ILE A 125 -0.978 -9.721 6.322 1.00 0.00 C ATOM 1908 C ILE A 125 -2.439 -9.276 6.233 1.00 0.00 C ATOM 1909 O ILE A 125 -2.939 -8.593 7.126 1.00 0.00 O ATOM 1910 CB ILE A 125 -0.801 -11.141 6.866 1.00 0.00 C ATOM 1911 CG1 ILE A 125 0.675 -11.544 6.875 1.00 0.00 C ATOM 1912 CG2 ILE A 125 -1.662 -12.137 6.088 1.00 0.00 C ATOM 1913 CD1 ILE A 125 1.157 -11.892 5.465 1.00 0.00 C ATOM 0 H ILE A 125 -0.020 -9.089 8.076 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.587 -9.742 5.305 1.00 0.00 H new ATOM 0 HB ILE A 125 -1.146 -11.157 7.900 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.276 -10.729 7.278 1.00 0.00 H new ATOM 0 HG13 ILE A 125 0.818 -12.401 7.534 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.518 -13.138 6.495 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -2.712 -11.857 6.177 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -1.371 -12.127 5.038 1.00 0.00 H new ATOM 0 HD11 ILE A 125 2.209 -12.175 5.500 1.00 0.00 H new ATOM 0 HD12 ILE A 125 0.570 -12.724 5.075 1.00 0.00 H new ATOM 0 HD13 ILE A 125 1.035 -11.026 4.815 1.00 0.00 H new ATOM 1925 N HIS A 126 -3.082 -9.679 5.147 1.00 0.00 N ATOM 1926 CA HIS A 126 -4.476 -9.330 4.929 1.00 0.00 C ATOM 1927 C HIS A 126 -5.342 -10.587 5.033 1.00 0.00 C ATOM 1928 O HIS A 126 -5.338 -11.424 4.131 1.00 0.00 O ATOM 1929 CB HIS A 126 -4.650 -8.598 3.597 1.00 0.00 C ATOM 1930 CG HIS A 126 -5.801 -7.620 3.580 1.00 0.00 C ATOM 1931 ND1 HIS A 126 -5.891 -6.358 3.071 1.00 0.00 N flip ATOM 1932 CD2 HIS A 126 -7.036 -7.906 4.136 1.00 0.00 C flip ATOM 1933 CE1 HIS A 126 -7.115 -5.899 3.301 1.00 0.00 C flip ATOM 1934 NE2 HIS A 126 -7.826 -6.857 3.962 1.00 0.00 N flip ATOM 0 H HIS A 126 -2.663 -10.244 4.408 1.00 0.00 H new ATOM 0 HA HIS A 126 -4.807 -8.638 5.703 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -3.729 -8.064 3.365 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -4.800 -9.334 2.807 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -7.309 -8.828 4.628 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -7.487 -4.927 3.012 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -8.796 -6.779 4.269 1.00 0.00 H new ATOM 1942 N SER A 127 -6.064 -10.679 6.140 1.00 0.00 N ATOM 1943 CA SER A 127 -6.934 -11.820 6.373 1.00 0.00 C ATOM 1944 C SER A 127 -8.373 -11.346 6.584 1.00 0.00 C ATOM 1945 O SER A 127 -8.601 -10.217 7.017 1.00 0.00 O ATOM 1946 CB SER A 127 -6.461 -12.635 7.578 1.00 0.00 C ATOM 1947 OG SER A 127 -6.373 -14.026 7.280 1.00 0.00 O ATOM 0 H SER A 127 -6.065 -9.983 6.885 1.00 0.00 H new ATOM 0 HA SER A 127 -6.896 -12.465 5.495 1.00 0.00 H new ATOM 0 HB2 SER A 127 -5.486 -12.271 7.902 1.00 0.00 H new ATOM 0 HB3 SER A 127 -7.149 -12.485 8.410 1.00 0.00 H new ATOM 0 HG SER A 127 -6.066 -14.512 8.074 1.00 0.00 H new