USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1001 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 98 ASN :FLIP amide:sc= 0.705 F(o=0.045,f=1.6) USER MOD Set 1.2: A 100 THR OG1 : rot 97:sc= 0.848 USER MOD Set 2.1: A 84 GLN : amide:sc= -1.12 K(o=-1.1,f=-2.3) USER MOD Set 2.2: A 87 GLN : amide:sc= 0 X(o=-1.1,f=-1.1) USER MOD Set 3.1: A 75 SER OG : rot -110:sc= -0.566 USER MOD Set 3.2: A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 38 GLN : amide:sc= -0.0302 K(o=-0.51,f=-1.4) USER MOD Set 4.2: A 43 ASN : amide:sc= -0.485 K(o=-0.51,f=-1.8) USER MOD Single : A 20 GLN : amide:sc= -0.0392 K(o=-0.039,f=-1.7!) USER MOD Single : A 24 GLN : amide:sc=-0.00866 X(o=-0.0087,f=0) USER MOD Single : A 27 THR OG1 : rot -96:sc= 1.24 USER MOD Single : A 28 THR OG1 : rot 76:sc= 1.28 USER MOD Single : A 29 GLN : amide:sc= -3.99 K(o=-4,f=-8!) USER MOD Single : A 30 CYS SG : rot 10:sc= -1.56 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -3.23 K(o=-3.2,f=-4.4!) USER MOD Single : A 46 ASN : amide:sc= 0.883 K(o=0.88,f=-0.08) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 55 CYS SG : rot 68:sc= -3.78! USER MOD Single : A 59 ASN : amide:sc= -10.2! C(o=-10!,f=-13!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -2.48 X(o=-2.5,f=-2.4) USER MOD Single : A 70 LYS NZ :NH3+ 153:sc= -0.243 (180deg=-0.782) USER MOD Single : A 71 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.521) USER MOD Single : A 73 GLN : amide:sc= -0.223 X(o=-0.22,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -2.69 K(o=-2.7,f=-7.2!) USER MOD Single : A 82 MET CE :methyl -141:sc= -0.825 (180deg=-3.98!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.0229 X(o=-0.023,f=-0.25) USER MOD Single : A 95 TYR OH : rot -90:sc= -1.45 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.331 K(o=-0.33,f=-2.2!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.364) USER MOD Single : A 113 ASN : amide:sc= -0.0461 K(o=-0.046,f=-1.2!) USER MOD Single : A 114 MET CE :methyl 163:sc= -3.92! (180deg=-4.76!) USER MOD Single : A 116 CYS SG : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= -1.79 X(o=-1.8,f=-1.5) USER MOD Single : A 120 THR OG1 : rot 79:sc= -0.0405 USER MOD Single : A 122 MET CE :methyl -137:sc= -0.896 (180deg=-4.05!) USER MOD Single : A 123 ASN : amide:sc= 0.0129 X(o=0.013,f=-0.037) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 141 ASN : amide:sc= 0.0101 X(o=0.01,f=0) USER MOD ----------------------------------------------------------------- ATOM 221 N ASP A 17 -15.656 -2.389 -6.988 1.00 0.00 N ATOM 222 CA ASP A 17 -15.944 -3.190 -5.803 1.00 0.00 C ATOM 223 C ASP A 17 -14.772 -3.155 -4.826 1.00 0.00 C ATOM 224 O ASP A 17 -14.955 -2.931 -3.629 1.00 0.00 O ATOM 225 CB ASP A 17 -16.250 -4.635 -6.200 1.00 0.00 C ATOM 226 CG ASP A 17 -17.357 -4.729 -7.232 1.00 0.00 C ATOM 227 OD1 ASP A 17 -17.359 -3.912 -8.176 1.00 0.00 O ATOM 228 OD2 ASP A 17 -18.220 -5.621 -7.096 1.00 0.00 O ATOM 0 HA ASP A 17 -16.818 -2.764 -5.310 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.347 -5.099 -6.597 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -16.535 -5.200 -5.313 1.00 0.00 H new ATOM 233 N LEU A 18 -13.570 -3.379 -5.345 1.00 0.00 N ATOM 234 CA LEU A 18 -12.367 -3.374 -4.518 1.00 0.00 C ATOM 235 C LEU A 18 -11.951 -1.948 -4.172 1.00 0.00 C ATOM 236 O LEU A 18 -11.428 -1.691 -3.088 1.00 0.00 O ATOM 237 CB LEU A 18 -11.225 -4.090 -5.241 1.00 0.00 C ATOM 238 CG LEU A 18 -11.443 -5.575 -5.534 1.00 0.00 C ATOM 239 CD1 LEU A 18 -10.337 -6.110 -6.431 1.00 0.00 C ATOM 240 CD2 LEU A 18 -11.513 -6.370 -4.239 1.00 0.00 C ATOM 0 H LEU A 18 -13.402 -3.566 -6.333 1.00 0.00 H new ATOM 0 HA LEU A 18 -12.590 -3.903 -3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.041 -3.577 -6.185 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.321 -3.987 -4.641 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.393 -5.687 -6.057 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.509 -7.168 -6.629 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.334 -5.561 -7.372 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.374 -5.985 -5.935 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.668 -7.424 -4.467 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.580 -6.252 -3.689 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.341 -6.004 -3.632 1.00 0.00 H new ATOM 252 N GLU A 19 -12.188 -1.026 -5.099 1.00 0.00 N ATOM 253 CA GLU A 19 -11.838 0.374 -4.890 1.00 0.00 C ATOM 254 C GLU A 19 -12.475 0.909 -3.611 1.00 0.00 C ATOM 255 O GLU A 19 -11.792 1.465 -2.751 1.00 0.00 O ATOM 256 CB GLU A 19 -12.282 1.218 -6.086 1.00 0.00 C ATOM 257 CG GLU A 19 -12.356 2.706 -5.788 1.00 0.00 C ATOM 258 CD GLU A 19 -11.078 3.242 -5.173 1.00 0.00 C ATOM 259 OE1 GLU A 19 -10.030 3.198 -5.851 1.00 0.00 O ATOM 260 OE2 GLU A 19 -11.125 3.705 -4.014 1.00 0.00 O ATOM 0 H GLU A 19 -12.621 -1.223 -6.002 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.755 0.440 -4.791 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.589 1.056 -6.912 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -13.261 0.874 -6.419 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.566 3.247 -6.710 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -13.188 2.896 -5.110 1.00 0.00 H new ATOM 267 N GLN A 20 -13.788 0.738 -3.495 1.00 0.00 N ATOM 268 CA GLN A 20 -14.518 1.205 -2.322 1.00 0.00 C ATOM 269 C GLN A 20 -13.946 0.595 -1.047 1.00 0.00 C ATOM 270 O GLN A 20 -13.926 1.236 0.005 1.00 0.00 O ATOM 271 CB GLN A 20 -16.002 0.857 -2.447 1.00 0.00 C ATOM 272 CG GLN A 20 -16.268 -0.632 -2.595 1.00 0.00 C ATOM 273 CD GLN A 20 -17.717 -0.995 -2.335 1.00 0.00 C ATOM 274 OE1 GLN A 20 -18.491 -0.184 -1.827 1.00 0.00 O ATOM 275 NE2 GLN A 20 -18.092 -2.220 -2.684 1.00 0.00 N ATOM 0 H GLN A 20 -14.368 0.280 -4.198 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.410 2.288 -2.265 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -16.528 1.226 -1.567 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -16.418 1.379 -3.309 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -15.993 -0.948 -3.601 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.630 -1.182 -1.903 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -17.417 -2.860 -3.102 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -19.055 -2.521 -2.534 1.00 0.00 H new ATOM 284 N ILE A 21 -13.484 -0.647 -1.147 1.00 0.00 N ATOM 285 CA ILE A 21 -12.911 -1.343 -0.001 1.00 0.00 C ATOM 286 C ILE A 21 -11.587 -0.713 0.419 1.00 0.00 C ATOM 287 O ILE A 21 -11.350 -0.471 1.604 1.00 0.00 O ATOM 288 CB ILE A 21 -12.683 -2.835 -0.305 1.00 0.00 C ATOM 289 CG1 ILE A 21 -14.009 -3.515 -0.655 1.00 0.00 C ATOM 290 CG2 ILE A 21 -12.026 -3.523 0.882 1.00 0.00 C ATOM 291 CD1 ILE A 21 -13.853 -4.956 -1.088 1.00 0.00 C ATOM 0 H ILE A 21 -13.495 -1.192 -2.009 1.00 0.00 H new ATOM 0 HA ILE A 21 -13.629 -1.252 0.814 1.00 0.00 H new ATOM 0 HB ILE A 21 -12.016 -2.918 -1.163 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -14.669 -3.474 0.212 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -14.496 -2.955 -1.453 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -11.871 -4.577 0.652 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.065 -3.052 1.089 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -12.670 -3.433 1.757 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -14.832 -5.374 -1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -13.219 -5.003 -1.973 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -13.395 -5.530 -0.283 1.00 0.00 H new ATOM 303 N LEU A 22 -10.728 -0.448 -0.559 1.00 0.00 N ATOM 304 CA LEU A 22 -9.427 0.155 -0.291 1.00 0.00 C ATOM 305 C LEU A 22 -9.576 1.419 0.550 1.00 0.00 C ATOM 306 O LEU A 22 -8.983 1.536 1.623 1.00 0.00 O ATOM 307 CB LEU A 22 -8.716 0.484 -1.605 1.00 0.00 C ATOM 308 CG LEU A 22 -8.098 -0.700 -2.348 1.00 0.00 C ATOM 309 CD1 LEU A 22 -7.478 -0.243 -3.660 1.00 0.00 C ATOM 310 CD2 LEU A 22 -7.059 -1.393 -1.478 1.00 0.00 C ATOM 0 H LEU A 22 -10.909 -0.641 -1.544 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.829 -0.564 0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.430 0.971 -2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.928 1.208 -1.397 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.889 -1.415 -2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.043 -1.100 -4.175 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.247 0.206 -4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.699 0.492 -3.458 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.630 -2.233 -2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.270 -0.686 -1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.532 -1.756 -0.566 1.00 0.00 H new ATOM 322 N ILE A 23 -10.373 2.361 0.057 1.00 0.00 N ATOM 323 CA ILE A 23 -10.602 3.614 0.765 1.00 0.00 C ATOM 324 C ILE A 23 -11.089 3.361 2.188 1.00 0.00 C ATOM 325 O ILE A 23 -10.659 4.027 3.129 1.00 0.00 O ATOM 326 CB ILE A 23 -11.630 4.495 0.032 1.00 0.00 C ATOM 327 CG1 ILE A 23 -11.100 4.898 -1.346 1.00 0.00 C ATOM 328 CG2 ILE A 23 -11.958 5.729 0.860 1.00 0.00 C ATOM 329 CD1 ILE A 23 -12.173 5.406 -2.282 1.00 0.00 C ATOM 0 H ILE A 23 -10.871 2.280 -0.830 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.646 4.136 0.798 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.545 3.920 -0.105 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.342 5.671 -1.223 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.608 4.039 -1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.686 6.341 0.328 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.374 5.423 1.820 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.049 6.308 1.026 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -11.725 5.673 -3.239 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.920 4.627 -2.436 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.649 6.285 -1.847 1.00 0.00 H new ATOM 341 N GLN A 24 -11.988 2.393 2.336 1.00 0.00 N ATOM 342 CA GLN A 24 -12.533 2.051 3.644 1.00 0.00 C ATOM 343 C GLN A 24 -11.436 1.547 4.576 1.00 0.00 C ATOM 344 O GLN A 24 -11.450 1.825 5.775 1.00 0.00 O ATOM 345 CB GLN A 24 -13.626 0.991 3.504 1.00 0.00 C ATOM 346 CG GLN A 24 -14.986 1.563 3.137 1.00 0.00 C ATOM 347 CD GLN A 24 -16.081 0.515 3.140 1.00 0.00 C ATOM 348 OE1 GLN A 24 -16.889 0.447 4.066 1.00 0.00 O ATOM 349 NE2 GLN A 24 -16.114 -0.310 2.100 1.00 0.00 N ATOM 0 H GLN A 24 -12.354 1.832 1.567 1.00 0.00 H new ATOM 0 HA GLN A 24 -12.966 2.953 4.076 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -13.327 0.271 2.742 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -13.713 0.444 4.443 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -15.244 2.355 3.840 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -14.929 2.020 2.149 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -15.424 -0.218 1.354 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -16.829 -1.036 2.047 1.00 0.00 H new ATOM 358 N TRP A 25 -10.487 0.804 4.017 1.00 0.00 N ATOM 359 CA TRP A 25 -9.382 0.261 4.798 1.00 0.00 C ATOM 360 C TRP A 25 -8.353 1.341 5.110 1.00 0.00 C ATOM 361 O TRP A 25 -8.087 1.641 6.274 1.00 0.00 O ATOM 362 CB TRP A 25 -8.718 -0.893 4.046 1.00 0.00 C ATOM 363 CG TRP A 25 -7.483 -1.409 4.721 1.00 0.00 C ATOM 364 CD1 TRP A 25 -7.338 -1.711 6.045 1.00 0.00 C ATOM 365 CD2 TRP A 25 -6.220 -1.683 4.105 1.00 0.00 C ATOM 366 NE1 TRP A 25 -6.061 -2.155 6.289 1.00 0.00 N ATOM 367 CE2 TRP A 25 -5.356 -2.148 5.115 1.00 0.00 C ATOM 368 CE3 TRP A 25 -5.736 -1.581 2.798 1.00 0.00 C ATOM 369 CZ2 TRP A 25 -4.036 -2.509 4.857 1.00 0.00 C ATOM 370 CZ3 TRP A 25 -4.426 -1.940 2.543 1.00 0.00 C ATOM 371 CH2 TRP A 25 -3.588 -2.400 3.568 1.00 0.00 C ATOM 0 H TRP A 25 -10.461 0.564 3.026 1.00 0.00 H new ATOM 0 HA TRP A 25 -9.784 -0.113 5.740 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -9.434 -1.708 3.941 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -8.462 -0.562 3.040 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -8.113 -1.615 6.791 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -5.697 -2.443 7.197 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -6.374 -1.228 2.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -3.389 -2.862 5.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -4.041 -1.865 1.537 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -2.569 -2.674 3.336 1.00 0.00 H new ATOM 382 N ILE A 26 -7.776 1.922 4.063 1.00 0.00 N ATOM 383 CA ILE A 26 -6.776 2.970 4.226 1.00 0.00 C ATOM 384 C ILE A 26 -7.234 4.013 5.241 1.00 0.00 C ATOM 385 O ILE A 26 -6.498 4.363 6.164 1.00 0.00 O ATOM 386 CB ILE A 26 -6.471 3.670 2.889 1.00 0.00 C ATOM 387 CG1 ILE A 26 -5.955 2.658 1.864 1.00 0.00 C ATOM 388 CG2 ILE A 26 -5.459 4.787 3.095 1.00 0.00 C ATOM 389 CD1 ILE A 26 -5.914 3.196 0.451 1.00 0.00 C ATOM 0 H ILE A 26 -7.984 1.685 3.093 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.869 2.487 4.589 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.393 4.108 2.506 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.953 2.340 2.152 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.590 1.772 1.889 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.254 5.272 2.141 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.862 5.519 3.795 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.535 4.371 3.497 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.538 2.425 -0.221 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.918 3.488 0.143 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.256 4.064 0.411 1.00 0.00 H new ATOM 401 N THR A 27 -8.456 4.506 5.064 1.00 0.00 N ATOM 402 CA THR A 27 -9.013 5.509 5.963 1.00 0.00 C ATOM 403 C THR A 27 -9.065 4.993 7.397 1.00 0.00 C ATOM 404 O THR A 27 -8.715 5.705 8.338 1.00 0.00 O ATOM 405 CB THR A 27 -10.429 5.929 5.528 1.00 0.00 C ATOM 406 OG1 THR A 27 -11.308 4.799 5.566 1.00 0.00 O ATOM 407 CG2 THR A 27 -10.413 6.518 4.126 1.00 0.00 C ATOM 0 H THR A 27 -9.079 4.227 4.306 1.00 0.00 H new ATOM 0 HA THR A 27 -8.355 6.377 5.916 1.00 0.00 H new ATOM 0 HB THR A 27 -10.787 6.691 6.220 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.373 4.405 4.671 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.425 6.807 3.841 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.766 7.395 4.107 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.037 5.775 3.423 1.00 0.00 H new ATOM 415 N THR A 28 -9.505 3.748 7.557 1.00 0.00 N ATOM 416 CA THR A 28 -9.604 3.136 8.876 1.00 0.00 C ATOM 417 C THR A 28 -8.223 2.909 9.482 1.00 0.00 C ATOM 418 O THR A 28 -7.875 3.512 10.497 1.00 0.00 O ATOM 419 CB THR A 28 -10.353 1.792 8.817 1.00 0.00 C ATOM 420 OG1 THR A 28 -11.708 2.004 8.405 1.00 0.00 O ATOM 421 CG2 THR A 28 -10.332 1.101 10.172 1.00 0.00 C ATOM 0 H THR A 28 -9.798 3.144 6.789 1.00 0.00 H new ATOM 0 HA THR A 28 -10.164 3.828 9.504 1.00 0.00 H new ATOM 0 HB THR A 28 -9.849 1.152 8.093 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.734 2.172 7.440 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.867 0.154 10.106 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.300 0.915 10.469 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.814 1.739 10.913 1.00 0.00 H new ATOM 429 N GLN A 29 -7.442 2.038 8.852 1.00 0.00 N ATOM 430 CA GLN A 29 -6.099 1.732 9.331 1.00 0.00 C ATOM 431 C GLN A 29 -5.416 2.984 9.871 1.00 0.00 C ATOM 432 O GLN A 29 -4.903 2.989 10.991 1.00 0.00 O ATOM 433 CB GLN A 29 -5.260 1.124 8.206 1.00 0.00 C ATOM 434 CG GLN A 29 -3.847 0.758 8.630 1.00 0.00 C ATOM 435 CD GLN A 29 -3.802 0.076 9.983 1.00 0.00 C ATOM 436 OE1 GLN A 29 -4.186 0.659 10.998 1.00 0.00 O ATOM 437 NE2 GLN A 29 -3.330 -1.165 10.006 1.00 0.00 N ATOM 0 H GLN A 29 -7.715 1.532 8.010 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.185 1.009 10.142 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.761 0.231 7.832 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.210 1.831 7.378 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.406 0.100 7.881 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.236 1.660 8.662 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.023 -1.610 9.141 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.275 -1.673 10.889 1.00 0.00 H new ATOM 446 N CYS A 30 -5.412 4.042 9.068 1.00 0.00 N ATOM 447 CA CYS A 30 -4.790 5.301 9.465 1.00 0.00 C ATOM 448 C CYS A 30 -5.602 5.988 10.558 1.00 0.00 C ATOM 449 O CYS A 30 -6.782 6.285 10.374 1.00 0.00 O ATOM 450 CB CYS A 30 -4.650 6.228 8.257 1.00 0.00 C ATOM 451 SG CYS A 30 -6.226 6.783 7.567 1.00 0.00 S ATOM 0 H CYS A 30 -5.832 4.054 8.139 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.799 5.079 9.860 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.065 7.101 8.548 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.087 5.712 7.480 1.00 0.00 H new ATOM 0 HG CYS A 30 -7.193 6.444 8.367 1.00 0.00 H new ATOM 457 N ARG A 31 -4.962 6.235 11.697 1.00 0.00 N ATOM 458 CA ARG A 31 -5.626 6.884 12.820 1.00 0.00 C ATOM 459 C ARG A 31 -6.091 8.288 12.441 1.00 0.00 C ATOM 460 O ARG A 31 -7.289 8.552 12.344 1.00 0.00 O ATOM 461 CB ARG A 31 -4.686 6.955 14.025 1.00 0.00 C ATOM 462 CG ARG A 31 -4.384 5.599 14.642 1.00 0.00 C ATOM 463 CD ARG A 31 -5.505 5.146 15.565 1.00 0.00 C ATOM 464 NE ARG A 31 -5.694 6.060 16.687 1.00 0.00 N ATOM 465 CZ ARG A 31 -6.645 5.913 17.603 1.00 0.00 C ATOM 466 NH1 ARG A 31 -7.489 4.893 17.529 1.00 0.00 N ATOM 467 NH2 ARG A 31 -6.754 6.787 18.595 1.00 0.00 N ATOM 0 H ARG A 31 -3.985 5.995 11.866 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.500 6.289 13.084 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.750 7.422 13.718 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.130 7.599 14.784 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.241 4.862 13.852 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.450 5.652 15.201 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.433 5.071 14.998 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.282 4.149 15.944 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.061 6.855 16.773 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.409 4.219 16.768 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.218 4.782 18.234 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.107 7.573 18.655 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.485 6.673 19.297 1.00 0.00 H new ATOM 481 N LYS A 32 -5.134 9.184 12.228 1.00 0.00 N ATOM 482 CA LYS A 32 -5.442 10.560 11.858 1.00 0.00 C ATOM 483 C LYS A 32 -6.226 10.610 10.551 1.00 0.00 C ATOM 484 O LYS A 32 -5.984 9.817 9.640 1.00 0.00 O ATOM 485 CB LYS A 32 -4.154 11.376 11.724 1.00 0.00 C ATOM 486 CG LYS A 32 -3.481 11.231 10.371 1.00 0.00 C ATOM 487 CD LYS A 32 -3.996 12.261 9.379 1.00 0.00 C ATOM 488 CE LYS A 32 -3.341 13.617 9.594 1.00 0.00 C ATOM 489 NZ LYS A 32 -3.793 14.617 8.587 1.00 0.00 N ATOM 0 H LYS A 32 -4.137 8.982 12.305 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.057 10.992 12.647 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.381 12.428 11.897 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.456 11.068 12.503 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.403 11.343 10.486 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.658 10.229 9.981 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.801 11.918 8.363 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.077 12.357 9.481 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.575 13.979 10.595 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.258 13.510 9.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.324 15.528 8.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.547 14.284 7.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.824 14.738 8.657 1.00 0.00 H new ATOM 503 N ASP A 33 -7.164 11.546 10.464 1.00 0.00 N ATOM 504 CA ASP A 33 -7.982 11.700 9.266 1.00 0.00 C ATOM 505 C ASP A 33 -7.185 12.361 8.146 1.00 0.00 C ATOM 506 O ASP A 33 -7.053 13.585 8.101 1.00 0.00 O ATOM 507 CB ASP A 33 -9.230 12.528 9.577 1.00 0.00 C ATOM 508 CG ASP A 33 -10.223 11.775 10.441 1.00 0.00 C ATOM 509 OD1 ASP A 33 -9.786 11.101 11.398 1.00 0.00 O ATOM 510 OD2 ASP A 33 -11.436 11.861 10.162 1.00 0.00 O ATOM 0 H ASP A 33 -7.377 12.210 11.208 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.287 10.708 8.935 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.936 13.447 10.083 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.712 12.819 8.643 1.00 0.00 H new ATOM 515 N VAL A 34 -6.653 11.544 7.242 1.00 0.00 N ATOM 516 CA VAL A 34 -5.869 12.048 6.122 1.00 0.00 C ATOM 517 C VAL A 34 -6.711 12.944 5.221 1.00 0.00 C ATOM 518 O VAL A 34 -6.190 13.834 4.550 1.00 0.00 O ATOM 519 CB VAL A 34 -5.285 10.897 5.281 1.00 0.00 C ATOM 520 CG1 VAL A 34 -4.251 10.122 6.083 1.00 0.00 C ATOM 521 CG2 VAL A 34 -6.395 9.976 4.796 1.00 0.00 C ATOM 0 H VAL A 34 -6.751 10.529 7.264 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.050 12.630 6.546 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.789 11.322 4.408 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.849 9.313 5.473 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.442 10.791 6.377 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.720 9.706 6.975 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.965 9.168 4.204 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.921 9.556 5.654 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.096 10.542 4.183 1.00 0.00 H new ATOM 531 N GLY A 35 -8.019 12.704 5.211 1.00 0.00 N ATOM 532 CA GLY A 35 -8.914 13.497 4.389 1.00 0.00 C ATOM 533 C GLY A 35 -9.785 12.644 3.490 1.00 0.00 C ATOM 534 O GLY A 35 -9.930 12.930 2.302 1.00 0.00 O ATOM 0 H GLY A 35 -8.475 11.974 5.758 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.549 14.106 5.032 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.328 14.183 3.777 1.00 0.00 H new ATOM 538 N ARG A 36 -10.366 11.591 4.057 1.00 0.00 N ATOM 539 CA ARG A 36 -11.226 10.692 3.298 1.00 0.00 C ATOM 540 C ARG A 36 -12.016 11.458 2.241 1.00 0.00 C ATOM 541 O ARG A 36 -13.057 12.053 2.519 1.00 0.00 O ATOM 542 CB ARG A 36 -12.186 9.957 4.235 1.00 0.00 C ATOM 543 CG ARG A 36 -12.956 8.833 3.561 1.00 0.00 C ATOM 544 CD ARG A 36 -13.857 8.105 4.546 1.00 0.00 C ATOM 545 NE ARG A 36 -14.418 6.884 3.975 1.00 0.00 N ATOM 546 CZ ARG A 36 -15.498 6.864 3.201 1.00 0.00 C ATOM 547 NH1 ARG A 36 -16.128 7.993 2.907 1.00 0.00 N ATOM 548 NH2 ARG A 36 -15.948 5.713 2.719 1.00 0.00 N ATOM 0 H ARG A 36 -10.256 11.340 5.040 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.592 9.963 2.795 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.620 9.547 5.072 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.895 10.674 4.650 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.558 9.239 2.748 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.255 8.126 3.117 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.289 7.858 5.443 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.667 8.767 4.854 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.956 5.998 4.181 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.784 8.880 3.275 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.957 7.975 2.313 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.465 4.843 2.942 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.777 5.698 2.125 1.00 0.00 H new ATOM 562 N PRO A 37 -11.511 11.444 0.999 1.00 0.00 N ATOM 563 CA PRO A 37 -12.153 12.132 -0.125 1.00 0.00 C ATOM 564 C PRO A 37 -13.459 11.465 -0.543 1.00 0.00 C ATOM 565 O PRO A 37 -13.997 10.628 0.180 1.00 0.00 O ATOM 566 CB PRO A 37 -11.115 12.026 -1.246 1.00 0.00 C ATOM 567 CG PRO A 37 -10.314 10.817 -0.907 1.00 0.00 C ATOM 568 CD PRO A 37 -10.274 10.754 0.595 1.00 0.00 C ATOM 0 HA PRO A 37 -12.425 13.157 0.126 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.593 11.924 -2.220 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.488 12.917 -1.291 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.769 9.918 -1.323 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.308 10.886 -1.322 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.253 9.725 0.954 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.389 11.249 0.994 1.00 0.00 H new ATOM 576 N GLN A 38 -13.962 11.842 -1.715 1.00 0.00 N ATOM 577 CA GLN A 38 -15.205 11.279 -2.228 1.00 0.00 C ATOM 578 C GLN A 38 -14.960 9.924 -2.884 1.00 0.00 C ATOM 579 O GLN A 38 -13.890 9.657 -3.432 1.00 0.00 O ATOM 580 CB GLN A 38 -15.846 12.237 -3.233 1.00 0.00 C ATOM 581 CG GLN A 38 -14.939 12.590 -4.401 1.00 0.00 C ATOM 582 CD GLN A 38 -15.624 13.474 -5.426 1.00 0.00 C ATOM 583 OE1 GLN A 38 -16.814 13.769 -5.312 1.00 0.00 O ATOM 584 NE2 GLN A 38 -14.874 13.901 -6.434 1.00 0.00 N ATOM 0 H GLN A 38 -13.528 12.534 -2.326 1.00 0.00 H new ATOM 0 HA GLN A 38 -15.884 11.137 -1.387 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -16.762 11.788 -3.618 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -16.133 13.153 -2.717 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -14.050 13.097 -4.026 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -14.602 11.673 -4.885 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -13.892 13.632 -6.489 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -15.280 14.499 -7.154 1.00 0.00 H new ATOM 593 N PRO A 39 -15.973 9.047 -2.829 1.00 0.00 N ATOM 594 CA PRO A 39 -15.891 7.705 -3.413 1.00 0.00 C ATOM 595 C PRO A 39 -15.873 7.737 -4.937 1.00 0.00 C ATOM 596 O PRO A 39 -16.851 8.129 -5.572 1.00 0.00 O ATOM 597 CB PRO A 39 -17.163 7.020 -2.908 1.00 0.00 C ATOM 598 CG PRO A 39 -18.115 8.136 -2.645 1.00 0.00 C ATOM 599 CD PRO A 39 -17.277 9.298 -2.192 1.00 0.00 C ATOM 0 HA PRO A 39 -14.972 7.192 -3.128 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.561 6.327 -3.649 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -16.970 6.443 -2.004 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -18.678 8.388 -3.543 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -18.841 7.858 -1.881 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.703 10.249 -2.511 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.193 9.334 -1.106 1.00 0.00 H new ATOM 607 N GLY A 40 -14.752 7.320 -5.520 1.00 0.00 N ATOM 608 CA GLY A 40 -14.628 7.309 -6.966 1.00 0.00 C ATOM 609 C GLY A 40 -13.308 6.726 -7.430 1.00 0.00 C ATOM 610 O GLY A 40 -12.684 5.940 -6.717 1.00 0.00 O ATOM 0 H GLY A 40 -13.929 6.990 -5.017 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.447 6.731 -7.393 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.725 8.327 -7.344 1.00 0.00 H new ATOM 614 N ARG A 41 -12.882 7.111 -8.628 1.00 0.00 N ATOM 615 CA ARG A 41 -11.628 6.619 -9.188 1.00 0.00 C ATOM 616 C ARG A 41 -10.696 7.777 -9.533 1.00 0.00 C ATOM 617 O ARG A 41 -9.489 7.702 -9.308 1.00 0.00 O ATOM 618 CB ARG A 41 -11.898 5.778 -10.436 1.00 0.00 C ATOM 619 CG ARG A 41 -10.668 5.565 -11.305 1.00 0.00 C ATOM 620 CD ARG A 41 -10.534 6.656 -12.356 1.00 0.00 C ATOM 621 NE ARG A 41 -9.394 6.426 -13.240 1.00 0.00 N ATOM 622 CZ ARG A 41 -9.110 7.192 -14.287 1.00 0.00 C ATOM 623 NH1 ARG A 41 -9.879 8.232 -14.580 1.00 0.00 N ATOM 624 NH2 ARG A 41 -8.056 6.918 -15.045 1.00 0.00 N ATOM 0 H ARG A 41 -13.386 7.762 -9.230 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.143 5.996 -8.437 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.290 4.807 -10.132 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.673 6.263 -11.030 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -9.776 5.550 -10.678 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.730 4.593 -11.794 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.448 6.704 -12.948 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -10.422 7.622 -11.864 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.783 5.634 -13.042 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.691 8.445 -14.001 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.659 8.819 -15.385 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.463 6.118 -14.824 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.839 7.507 -15.849 1.00 0.00 H new ATOM 638 N GLU A 42 -11.266 8.846 -10.082 1.00 0.00 N ATOM 639 CA GLU A 42 -10.484 10.018 -10.459 1.00 0.00 C ATOM 640 C GLU A 42 -9.829 10.652 -9.236 1.00 0.00 C ATOM 641 O GLU A 42 -8.691 11.113 -9.298 1.00 0.00 O ATOM 642 CB GLU A 42 -11.372 11.044 -11.166 1.00 0.00 C ATOM 643 CG GLU A 42 -11.732 10.660 -12.591 1.00 0.00 C ATOM 644 CD GLU A 42 -12.414 11.785 -13.345 1.00 0.00 C ATOM 645 OE1 GLU A 42 -11.951 12.940 -13.234 1.00 0.00 O ATOM 646 OE2 GLU A 42 -13.410 11.511 -14.046 1.00 0.00 O ATOM 0 H GLU A 42 -12.264 8.924 -10.275 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.699 9.695 -11.143 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.289 11.175 -10.592 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.862 12.007 -11.176 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.827 10.367 -13.124 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.388 9.790 -12.574 1.00 0.00 H new ATOM 653 N ASN A 43 -10.558 10.671 -8.125 1.00 0.00 N ATOM 654 CA ASN A 43 -10.049 11.249 -6.886 1.00 0.00 C ATOM 655 C ASN A 43 -9.019 10.329 -6.239 1.00 0.00 C ATOM 656 O ASN A 43 -7.886 10.735 -5.976 1.00 0.00 O ATOM 657 CB ASN A 43 -11.199 11.511 -5.911 1.00 0.00 C ATOM 658 CG ASN A 43 -10.841 12.545 -4.860 1.00 0.00 C ATOM 659 OD1 ASN A 43 -10.017 12.293 -3.982 1.00 0.00 O ATOM 660 ND2 ASN A 43 -11.463 13.715 -4.946 1.00 0.00 N ATOM 0 H ASN A 43 -11.503 10.293 -8.057 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.564 12.195 -7.128 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.073 11.849 -6.467 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.475 10.578 -5.420 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.264 14.449 -4.266 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.139 13.879 -5.692 1.00 0.00 H new ATOM 667 N PHE A 44 -9.418 9.088 -5.986 1.00 0.00 N ATOM 668 CA PHE A 44 -8.530 8.109 -5.370 1.00 0.00 C ATOM 669 C PHE A 44 -7.096 8.292 -5.859 1.00 0.00 C ATOM 670 O PHE A 44 -6.178 8.482 -5.062 1.00 0.00 O ATOM 671 CB PHE A 44 -9.009 6.689 -5.678 1.00 0.00 C ATOM 672 CG PHE A 44 -8.269 5.628 -4.913 1.00 0.00 C ATOM 673 CD1 PHE A 44 -7.079 5.109 -5.397 1.00 0.00 C ATOM 674 CD2 PHE A 44 -8.764 5.151 -3.711 1.00 0.00 C ATOM 675 CE1 PHE A 44 -6.398 4.133 -4.696 1.00 0.00 C ATOM 676 CE2 PHE A 44 -8.086 4.174 -3.005 1.00 0.00 C ATOM 677 CZ PHE A 44 -6.901 3.665 -3.498 1.00 0.00 C ATOM 0 H PHE A 44 -10.351 8.736 -6.198 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.550 8.265 -4.291 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.072 6.615 -5.450 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -8.898 6.500 -6.746 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -6.680 5.472 -6.333 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -9.690 5.546 -3.320 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.472 3.736 -5.085 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.483 3.810 -2.069 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.369 2.903 -2.948 1.00 0.00 H new ATOM 687 N GLN A 45 -6.914 8.233 -7.174 1.00 0.00 N ATOM 688 CA GLN A 45 -5.593 8.390 -7.770 1.00 0.00 C ATOM 689 C GLN A 45 -4.872 9.600 -7.184 1.00 0.00 C ATOM 690 O GLN A 45 -3.715 9.509 -6.778 1.00 0.00 O ATOM 691 CB GLN A 45 -5.708 8.536 -9.288 1.00 0.00 C ATOM 692 CG GLN A 45 -4.380 8.400 -10.015 1.00 0.00 C ATOM 693 CD GLN A 45 -3.665 9.727 -10.177 1.00 0.00 C ATOM 694 OE1 GLN A 45 -2.894 10.140 -9.311 1.00 0.00 O ATOM 695 NE2 GLN A 45 -3.918 10.404 -11.292 1.00 0.00 N ATOM 0 H GLN A 45 -7.665 8.078 -7.847 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.011 7.497 -7.542 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.398 7.782 -9.666 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -6.141 9.509 -9.519 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.739 7.711 -9.466 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.552 7.962 -10.998 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.564 10.024 -11.984 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -3.466 11.303 -11.456 1.00 0.00 H new ATOM 704 N ASN A 46 -5.566 10.733 -7.144 1.00 0.00 N ATOM 705 CA ASN A 46 -4.992 11.963 -6.609 1.00 0.00 C ATOM 706 C ASN A 46 -4.834 11.874 -5.094 1.00 0.00 C ATOM 707 O ASN A 46 -3.968 12.528 -4.512 1.00 0.00 O ATOM 708 CB ASN A 46 -5.871 13.161 -6.973 1.00 0.00 C ATOM 709 CG ASN A 46 -5.799 13.505 -8.448 1.00 0.00 C ATOM 710 OD1 ASN A 46 -5.083 14.422 -8.849 1.00 0.00 O ATOM 711 ND2 ASN A 46 -6.543 12.767 -9.264 1.00 0.00 N ATOM 0 H ASN A 46 -6.526 10.825 -7.475 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.005 12.098 -7.052 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.905 12.945 -6.703 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.563 14.026 -6.386 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.535 12.951 -10.267 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.122 12.016 -8.887 1.00 0.00 H new ATOM 718 N TRP A 47 -5.674 11.062 -4.464 1.00 0.00 N ATOM 719 CA TRP A 47 -5.627 10.888 -3.016 1.00 0.00 C ATOM 720 C TRP A 47 -4.268 10.357 -2.576 1.00 0.00 C ATOM 721 O TRP A 47 -3.727 10.779 -1.553 1.00 0.00 O ATOM 722 CB TRP A 47 -6.733 9.935 -2.561 1.00 0.00 C ATOM 723 CG TRP A 47 -6.893 9.879 -1.072 1.00 0.00 C ATOM 724 CD1 TRP A 47 -6.825 10.928 -0.200 1.00 0.00 C ATOM 725 CD2 TRP A 47 -7.146 8.713 -0.280 1.00 0.00 C ATOM 726 NE1 TRP A 47 -7.020 10.485 1.086 1.00 0.00 N ATOM 727 CE2 TRP A 47 -7.220 9.130 1.063 1.00 0.00 C ATOM 728 CE3 TRP A 47 -7.319 7.358 -0.576 1.00 0.00 C ATOM 729 CZ2 TRP A 47 -7.459 8.239 2.107 1.00 0.00 C ATOM 730 CZ3 TRP A 47 -7.556 6.475 0.461 1.00 0.00 C ATOM 731 CH2 TRP A 47 -7.624 6.918 1.788 1.00 0.00 C ATOM 0 H TRP A 47 -6.396 10.514 -4.932 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.783 11.862 -2.552 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.677 10.245 -3.009 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -6.516 8.934 -2.934 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -6.644 11.955 -0.480 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -7.016 11.070 1.922 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.268 7.007 -1.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.512 8.578 3.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -7.691 5.426 0.244 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -7.810 6.203 2.576 1.00 0.00 H new ATOM 742 N LEU A 48 -3.720 9.429 -3.353 1.00 0.00 N ATOM 743 CA LEU A 48 -2.422 8.840 -3.043 1.00 0.00 C ATOM 744 C LEU A 48 -1.313 9.513 -3.844 1.00 0.00 C ATOM 745 O LEU A 48 -0.142 9.467 -3.465 1.00 0.00 O ATOM 746 CB LEU A 48 -2.438 7.338 -3.334 1.00 0.00 C ATOM 747 CG LEU A 48 -3.774 6.627 -3.116 1.00 0.00 C ATOM 748 CD1 LEU A 48 -3.623 5.129 -3.333 1.00 0.00 C ATOM 749 CD2 LEU A 48 -4.310 6.914 -1.721 1.00 0.00 C ATOM 0 H LEU A 48 -4.154 9.068 -4.202 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.224 8.996 -1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.133 7.185 -4.369 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.687 6.858 -2.706 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.490 7.009 -3.844 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.584 4.640 -3.174 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.285 4.941 -4.352 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.892 4.731 -2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.261 6.400 -1.584 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.596 6.561 -0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.457 7.987 -1.601 1.00 0.00 H new ATOM 761 N LYS A 49 -1.689 10.140 -4.954 1.00 0.00 N ATOM 762 CA LYS A 49 -0.727 10.826 -5.808 1.00 0.00 C ATOM 763 C LYS A 49 0.299 11.585 -4.973 1.00 0.00 C ATOM 764 O LYS A 49 1.448 11.749 -5.383 1.00 0.00 O ATOM 765 CB LYS A 49 -1.450 11.793 -6.749 1.00 0.00 C ATOM 766 CG LYS A 49 -0.525 12.795 -7.419 1.00 0.00 C ATOM 767 CD LYS A 49 -0.385 14.063 -6.595 1.00 0.00 C ATOM 768 CE LYS A 49 0.801 14.898 -7.054 1.00 0.00 C ATOM 769 NZ LYS A 49 0.558 15.522 -8.384 1.00 0.00 N ATOM 0 H LYS A 49 -2.653 10.187 -5.283 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.203 10.075 -6.399 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.969 11.220 -7.517 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.211 12.333 -6.186 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.457 12.344 -7.564 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.911 13.043 -8.408 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.299 14.652 -6.674 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.263 13.803 -5.543 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.003 15.677 -6.319 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.690 14.269 -7.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.389 16.082 -8.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.390 14.778 -9.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.275 16.142 -8.330 1.00 0.00 H new ATOM 783 N ASP A 50 -0.123 12.043 -3.800 1.00 0.00 N ATOM 784 CA ASP A 50 0.761 12.782 -2.905 1.00 0.00 C ATOM 785 C ASP A 50 1.751 11.844 -2.222 1.00 0.00 C ATOM 786 O ASP A 50 2.932 12.161 -2.089 1.00 0.00 O ATOM 787 CB ASP A 50 -0.056 13.535 -1.854 1.00 0.00 C ATOM 788 CG ASP A 50 -1.276 14.214 -2.445 1.00 0.00 C ATOM 789 OD1 ASP A 50 -2.199 13.497 -2.885 1.00 0.00 O ATOM 790 OD2 ASP A 50 -1.307 15.461 -2.468 1.00 0.00 O ATOM 0 H ASP A 50 -1.071 11.916 -3.446 1.00 0.00 H new ATOM 0 HA ASP A 50 1.322 13.501 -3.501 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.372 12.839 -1.077 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.576 14.283 -1.375 1.00 0.00 H new ATOM 795 N GLY A 51 1.260 10.686 -1.789 1.00 0.00 N ATOM 796 CA GLY A 51 2.114 9.720 -1.124 1.00 0.00 C ATOM 797 C GLY A 51 1.889 9.682 0.375 1.00 0.00 C ATOM 798 O GLY A 51 2.140 8.665 1.023 1.00 0.00 O ATOM 0 H GLY A 51 0.286 10.400 -1.887 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.931 8.730 -1.541 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.157 9.963 -1.326 1.00 0.00 H new ATOM 802 N THR A 52 1.415 10.794 0.929 1.00 0.00 N ATOM 803 CA THR A 52 1.159 10.885 2.361 1.00 0.00 C ATOM 804 C THR A 52 0.192 9.797 2.817 1.00 0.00 C ATOM 805 O THR A 52 0.450 9.093 3.793 1.00 0.00 O ATOM 806 CB THR A 52 0.582 12.261 2.742 1.00 0.00 C ATOM 807 OG1 THR A 52 -0.640 12.493 2.033 1.00 0.00 O ATOM 808 CG2 THR A 52 1.575 13.370 2.429 1.00 0.00 C ATOM 0 H THR A 52 1.201 11.644 0.407 1.00 0.00 H new ATOM 0 HA THR A 52 2.117 10.749 2.863 1.00 0.00 H new ATOM 0 HB THR A 52 0.385 12.264 3.814 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.001 13.369 2.282 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.145 14.332 2.707 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.493 13.206 2.993 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.799 13.367 1.362 1.00 0.00 H new ATOM 816 N VAL A 53 -0.921 9.664 2.103 1.00 0.00 N ATOM 817 CA VAL A 53 -1.926 8.660 2.433 1.00 0.00 C ATOM 818 C VAL A 53 -1.318 7.262 2.457 1.00 0.00 C ATOM 819 O VAL A 53 -1.651 6.444 3.316 1.00 0.00 O ATOM 820 CB VAL A 53 -3.093 8.684 1.429 1.00 0.00 C ATOM 821 CG1 VAL A 53 -4.105 7.598 1.761 1.00 0.00 C ATOM 822 CG2 VAL A 53 -3.754 10.053 1.412 1.00 0.00 C ATOM 0 H VAL A 53 -1.150 10.239 1.292 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.305 8.905 3.425 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.696 8.486 0.433 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.923 7.630 1.041 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.620 6.623 1.716 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.498 7.762 2.764 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.576 10.051 0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.138 10.284 2.406 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.022 10.807 1.121 1.00 0.00 H new ATOM 832 N LEU A 54 -0.426 6.995 1.511 1.00 0.00 N ATOM 833 CA LEU A 54 0.230 5.694 1.423 1.00 0.00 C ATOM 834 C LEU A 54 1.138 5.460 2.626 1.00 0.00 C ATOM 835 O LEU A 54 1.315 4.326 3.071 1.00 0.00 O ATOM 836 CB LEU A 54 1.042 5.596 0.130 1.00 0.00 C ATOM 837 CG LEU A 54 0.233 5.467 -1.161 1.00 0.00 C ATOM 838 CD1 LEU A 54 1.041 5.968 -2.349 1.00 0.00 C ATOM 839 CD2 LEU A 54 -0.198 4.024 -1.378 1.00 0.00 C ATOM 0 H LEU A 54 -0.140 7.661 0.794 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.542 4.925 1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.673 6.481 0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.707 4.736 0.206 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.662 6.083 -1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.450 5.869 -3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.300 7.016 -2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.953 5.379 -2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.773 3.951 -2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.684 3.387 -1.448 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.815 3.699 -0.540 1.00 0.00 H new ATOM 851 N CYS A 55 1.709 6.540 3.149 1.00 0.00 N ATOM 852 CA CYS A 55 2.598 6.453 4.302 1.00 0.00 C ATOM 853 C CYS A 55 1.823 6.067 5.557 1.00 0.00 C ATOM 854 O CYS A 55 2.137 5.072 6.210 1.00 0.00 O ATOM 855 CB CYS A 55 3.316 7.785 4.520 1.00 0.00 C ATOM 856 SG CYS A 55 4.461 8.233 3.195 1.00 0.00 S ATOM 0 H CYS A 55 1.572 7.486 2.793 1.00 0.00 H new ATOM 0 HA CYS A 55 3.339 5.679 4.102 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.571 8.574 4.624 1.00 0.00 H new ATOM 0 HB3 CYS A 55 3.865 7.739 5.460 1.00 0.00 H new ATOM 0 HG CYS A 55 3.792 8.482 2.109 1.00 0.00 H new ATOM 862 N GLU A 56 0.811 6.862 5.890 1.00 0.00 N ATOM 863 CA GLU A 56 -0.006 6.604 7.070 1.00 0.00 C ATOM 864 C GLU A 56 -0.486 5.155 7.093 1.00 0.00 C ATOM 865 O GLU A 56 -0.856 4.629 8.143 1.00 0.00 O ATOM 866 CB GLU A 56 -1.208 7.551 7.102 1.00 0.00 C ATOM 867 CG GLU A 56 -0.868 8.949 7.591 1.00 0.00 C ATOM 868 CD GLU A 56 -0.602 8.997 9.083 1.00 0.00 C ATOM 869 OE1 GLU A 56 -1.393 8.402 9.845 1.00 0.00 O ATOM 870 OE2 GLU A 56 0.395 9.629 9.488 1.00 0.00 O ATOM 0 H GLU A 56 0.537 7.689 5.360 1.00 0.00 H new ATOM 0 HA GLU A 56 0.610 6.779 7.952 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.633 7.619 6.101 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.977 7.127 7.747 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.010 9.313 7.057 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.690 9.624 7.350 1.00 0.00 H new ATOM 877 N LEU A 57 -0.476 4.517 5.928 1.00 0.00 N ATOM 878 CA LEU A 57 -0.911 3.129 5.813 1.00 0.00 C ATOM 879 C LEU A 57 0.179 2.176 6.293 1.00 0.00 C ATOM 880 O LEU A 57 0.067 1.577 7.364 1.00 0.00 O ATOM 881 CB LEU A 57 -1.282 2.808 4.365 1.00 0.00 C ATOM 882 CG LEU A 57 -1.690 1.362 4.081 1.00 0.00 C ATOM 883 CD1 LEU A 57 -2.900 0.974 4.917 1.00 0.00 C ATOM 884 CD2 LEU A 57 -1.981 1.171 2.599 1.00 0.00 C ATOM 0 H LEU A 57 -0.172 4.938 5.050 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.789 2.996 6.445 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.103 3.461 4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.432 3.056 3.730 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.860 0.711 4.356 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.175 -0.058 4.701 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.657 1.071 5.975 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.735 1.631 4.675 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.270 0.136 2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.793 1.833 2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.088 1.407 2.020 1.00 0.00 H new ATOM 896 N ILE A 58 1.234 2.042 5.496 1.00 0.00 N ATOM 897 CA ILE A 58 2.345 1.164 5.842 1.00 0.00 C ATOM 898 C ILE A 58 2.854 1.450 7.251 1.00 0.00 C ATOM 899 O ILE A 58 3.304 0.546 7.954 1.00 0.00 O ATOM 900 CB ILE A 58 3.512 1.315 4.847 1.00 0.00 C ATOM 901 CG1 ILE A 58 4.584 0.258 5.121 1.00 0.00 C ATOM 902 CG2 ILE A 58 4.104 2.713 4.933 1.00 0.00 C ATOM 903 CD1 ILE A 58 4.317 -1.065 4.439 1.00 0.00 C ATOM 0 H ILE A 58 1.343 2.530 4.607 1.00 0.00 H new ATOM 0 HA ILE A 58 1.967 0.143 5.795 1.00 0.00 H new ATOM 0 HB ILE A 58 3.131 1.165 3.837 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.551 0.639 4.791 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.656 0.095 6.196 1.00 0.00 H new ATOM 0 HG21 ILE A 58 4.927 2.804 4.224 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.336 3.449 4.694 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.474 2.890 5.943 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.117 -1.765 4.678 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.366 -1.468 4.787 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.275 -0.916 3.360 1.00 0.00 H new ATOM 915 N ASN A 59 2.777 2.713 7.657 1.00 0.00 N ATOM 916 CA ASN A 59 3.228 3.118 8.984 1.00 0.00 C ATOM 917 C ASN A 59 2.307 2.562 10.065 1.00 0.00 C ATOM 918 O ASN A 59 2.767 2.084 11.102 1.00 0.00 O ATOM 919 CB ASN A 59 3.285 4.644 9.082 1.00 0.00 C ATOM 920 CG ASN A 59 4.582 5.210 8.535 1.00 0.00 C ATOM 921 OD1 ASN A 59 5.668 4.729 8.861 1.00 0.00 O ATOM 922 ND2 ASN A 59 4.473 6.236 7.700 1.00 0.00 N ATOM 0 H ASN A 59 2.407 3.473 7.087 1.00 0.00 H new ATOM 0 HA ASN A 59 4.228 2.713 9.140 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.445 5.072 8.535 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.172 4.943 10.124 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.310 6.659 7.300 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.552 6.601 7.458 1.00 0.00 H new ATOM 929 N ALA A 60 1.003 2.627 9.815 1.00 0.00 N ATOM 930 CA ALA A 60 0.017 2.128 10.765 1.00 0.00 C ATOM 931 C ALA A 60 0.319 0.688 11.165 1.00 0.00 C ATOM 932 O ALA A 60 0.317 0.348 12.349 1.00 0.00 O ATOM 933 CB ALA A 60 -1.383 2.232 10.177 1.00 0.00 C ATOM 0 H ALA A 60 0.605 3.021 8.962 1.00 0.00 H new ATOM 0 HA ALA A 60 0.069 2.745 11.662 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.109 1.856 10.898 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.605 3.274 9.949 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.439 1.640 9.263 1.00 0.00 H new ATOM 939 N LEU A 61 0.578 -0.155 10.171 1.00 0.00 N ATOM 940 CA LEU A 61 0.883 -1.560 10.419 1.00 0.00 C ATOM 941 C LEU A 61 2.078 -1.701 11.357 1.00 0.00 C ATOM 942 O LEU A 61 1.945 -2.192 12.478 1.00 0.00 O ATOM 943 CB LEU A 61 1.166 -2.281 9.101 1.00 0.00 C ATOM 944 CG LEU A 61 0.085 -2.164 8.026 1.00 0.00 C ATOM 945 CD1 LEU A 61 0.695 -2.299 6.639 1.00 0.00 C ATOM 946 CD2 LEU A 61 -0.996 -3.214 8.239 1.00 0.00 C ATOM 0 H LEU A 61 0.583 0.110 9.186 1.00 0.00 H new ATOM 0 HA LEU A 61 0.015 -2.016 10.896 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.100 -1.895 8.692 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.324 -3.338 9.315 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.373 -1.178 8.105 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.089 -2.213 5.887 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.432 -1.510 6.487 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.180 -3.271 6.548 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.757 -3.115 7.465 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.553 -4.208 8.188 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.454 -3.071 9.218 1.00 0.00 H new ATOM 958 N TYR A 62 3.243 -1.266 10.891 1.00 0.00 N ATOM 959 CA TYR A 62 4.462 -1.344 11.687 1.00 0.00 C ATOM 960 C TYR A 62 4.319 -0.549 12.981 1.00 0.00 C ATOM 961 O TYR A 62 3.720 0.526 13.017 1.00 0.00 O ATOM 962 CB TYR A 62 5.655 -0.823 10.884 1.00 0.00 C ATOM 963 CG TYR A 62 6.252 -1.851 9.950 1.00 0.00 C ATOM 964 CD1 TYR A 62 6.898 -2.977 10.446 1.00 0.00 C ATOM 965 CD2 TYR A 62 6.172 -1.696 8.572 1.00 0.00 C ATOM 966 CE1 TYR A 62 7.446 -3.918 9.596 1.00 0.00 C ATOM 967 CE2 TYR A 62 6.715 -2.633 7.715 1.00 0.00 C ATOM 968 CZ TYR A 62 7.351 -3.742 8.232 1.00 0.00 C ATOM 969 OH TYR A 62 7.895 -4.677 7.381 1.00 0.00 O ATOM 0 H TYR A 62 3.369 -0.856 9.966 1.00 0.00 H new ATOM 0 HA TYR A 62 4.633 -2.390 11.941 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.340 0.044 10.303 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.426 -0.481 11.575 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.973 -3.119 11.514 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.677 -0.828 8.164 1.00 0.00 H new ATOM 0 HE1 TYR A 62 7.946 -4.787 9.998 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.642 -2.498 6.646 1.00 0.00 H new ATOM 0 HH TYR A 62 7.740 -4.404 6.453 1.00 0.00 H new ATOM 979 N PRO A 63 4.883 -1.090 14.071 1.00 0.00 N ATOM 980 CA PRO A 63 4.834 -0.448 15.389 1.00 0.00 C ATOM 981 C PRO A 63 5.688 0.813 15.451 1.00 0.00 C ATOM 982 O PRO A 63 6.404 1.136 14.504 1.00 0.00 O ATOM 983 CB PRO A 63 5.394 -1.521 16.327 1.00 0.00 C ATOM 984 CG PRO A 63 6.260 -2.367 15.460 1.00 0.00 C ATOM 985 CD PRO A 63 5.613 -2.368 14.102 1.00 0.00 C ATOM 0 HA PRO A 63 3.827 -0.121 15.647 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.964 -1.076 17.142 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.595 -2.107 16.780 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.272 -1.966 15.410 1.00 0.00 H new ATOM 0 HG3 PRO A 63 6.338 -3.380 15.856 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.353 -2.427 13.304 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.941 -3.217 13.977 1.00 0.00 H new ATOM 993 N GLU A 64 5.608 1.521 16.574 1.00 0.00 N ATOM 994 CA GLU A 64 6.375 2.748 16.758 1.00 0.00 C ATOM 995 C GLU A 64 7.855 2.513 16.470 1.00 0.00 C ATOM 996 O GLU A 64 8.437 1.527 16.920 1.00 0.00 O ATOM 997 CB GLU A 64 6.199 3.276 18.184 1.00 0.00 C ATOM 998 CG GLU A 64 6.428 2.223 19.255 1.00 0.00 C ATOM 999 CD GLU A 64 5.886 2.641 20.609 1.00 0.00 C ATOM 1000 OE1 GLU A 64 4.733 3.116 20.664 1.00 0.00 O ATOM 1001 OE2 GLU A 64 6.616 2.493 21.611 1.00 0.00 O ATOM 0 H GLU A 64 5.021 1.266 17.368 1.00 0.00 H new ATOM 0 HA GLU A 64 5.999 3.490 16.054 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.892 4.102 18.345 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.192 3.679 18.292 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.953 1.290 18.950 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.496 2.024 19.341 1.00 0.00 H new ATOM 1008 N GLY A 65 8.458 3.427 15.716 1.00 0.00 N ATOM 1009 CA GLY A 65 9.864 3.302 15.379 1.00 0.00 C ATOM 1010 C GLY A 65 10.098 2.373 14.205 1.00 0.00 C ATOM 1011 O GLY A 65 10.891 2.676 13.314 1.00 0.00 O ATOM 0 H GLY A 65 7.998 4.252 15.332 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.267 4.287 15.145 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.411 2.932 16.246 1.00 0.00 H new ATOM 1015 N GLN A 66 9.408 1.237 14.204 1.00 0.00 N ATOM 1016 CA GLN A 66 9.547 0.260 13.131 1.00 0.00 C ATOM 1017 C GLN A 66 9.100 0.848 11.797 1.00 0.00 C ATOM 1018 O GLN A 66 9.703 0.584 10.757 1.00 0.00 O ATOM 1019 CB GLN A 66 8.733 -0.996 13.447 1.00 0.00 C ATOM 1020 CG GLN A 66 9.446 -1.967 14.373 1.00 0.00 C ATOM 1021 CD GLN A 66 8.920 -3.384 14.250 1.00 0.00 C ATOM 1022 OE1 GLN A 66 8.687 -3.879 13.147 1.00 0.00 O ATOM 1023 NE2 GLN A 66 8.731 -4.046 15.386 1.00 0.00 N ATOM 0 H GLN A 66 8.747 0.971 14.934 1.00 0.00 H new ATOM 0 HA GLN A 66 10.601 -0.009 13.053 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.788 -0.701 13.902 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.492 -1.507 12.515 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.513 -1.959 14.150 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.333 -1.630 15.403 1.00 0.00 H new ATOM 0 HE21 GLN A 66 8.937 -3.597 16.278 1.00 0.00 H new ATOM 0 HE22 GLN A 66 8.380 -5.003 15.366 1.00 0.00 H new ATOM 1032 N ALA A 67 8.038 1.647 11.834 1.00 0.00 N ATOM 1033 CA ALA A 67 7.511 2.274 10.629 1.00 0.00 C ATOM 1034 C ALA A 67 8.635 2.654 9.671 1.00 0.00 C ATOM 1035 O ALA A 67 9.623 3.283 10.052 1.00 0.00 O ATOM 1036 CB ALA A 67 6.686 3.501 10.990 1.00 0.00 C ATOM 0 H ALA A 67 7.526 1.875 12.686 1.00 0.00 H new ATOM 0 HA ALA A 67 6.868 1.552 10.125 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.299 3.959 10.080 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.855 3.205 11.630 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.313 4.218 11.519 1.00 0.00 H new ATOM 1042 N PRO A 68 8.485 2.263 8.397 1.00 0.00 N ATOM 1043 CA PRO A 68 9.478 2.552 7.358 1.00 0.00 C ATOM 1044 C PRO A 68 9.530 4.034 7.001 1.00 0.00 C ATOM 1045 O PRO A 68 10.594 4.573 6.698 1.00 0.00 O ATOM 1046 CB PRO A 68 8.990 1.730 6.162 1.00 0.00 C ATOM 1047 CG PRO A 68 7.525 1.576 6.381 1.00 0.00 C ATOM 1048 CD PRO A 68 7.334 1.511 7.871 1.00 0.00 C ATOM 0 HA PRO A 68 10.489 2.302 7.680 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.198 2.239 5.221 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.488 0.761 6.118 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.976 2.415 5.953 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.151 0.672 5.900 1.00 0.00 H new ATOM 0 HD2 PRO A 68 6.388 1.960 8.175 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.328 0.482 8.231 1.00 0.00 H new ATOM 1056 N VAL A 69 8.373 4.687 7.038 1.00 0.00 N ATOM 1057 CA VAL A 69 8.287 6.108 6.720 1.00 0.00 C ATOM 1058 C VAL A 69 7.903 6.924 7.949 1.00 0.00 C ATOM 1059 O VAL A 69 6.740 6.950 8.352 1.00 0.00 O ATOM 1060 CB VAL A 69 7.261 6.371 5.601 1.00 0.00 C ATOM 1061 CG1 VAL A 69 7.011 7.863 5.447 1.00 0.00 C ATOM 1062 CG2 VAL A 69 7.736 5.763 4.290 1.00 0.00 C ATOM 0 H VAL A 69 7.482 4.255 7.285 1.00 0.00 H new ATOM 0 HA VAL A 69 9.275 6.416 6.377 1.00 0.00 H new ATOM 0 HB VAL A 69 6.319 5.896 5.875 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.284 8.030 4.652 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.624 8.266 6.383 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.945 8.364 5.195 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.999 5.958 3.511 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.690 6.208 4.007 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.859 4.687 4.412 1.00 0.00 H new ATOM 1072 N LYS A 70 8.888 7.590 8.541 1.00 0.00 N ATOM 1073 CA LYS A 70 8.655 8.410 9.724 1.00 0.00 C ATOM 1074 C LYS A 70 8.380 9.859 9.336 1.00 0.00 C ATOM 1075 O LYS A 70 7.611 10.556 9.999 1.00 0.00 O ATOM 1076 CB LYS A 70 9.861 8.342 10.664 1.00 0.00 C ATOM 1077 CG LYS A 70 9.849 7.132 11.582 1.00 0.00 C ATOM 1078 CD LYS A 70 9.104 7.420 12.875 1.00 0.00 C ATOM 1079 CE LYS A 70 9.433 6.394 13.948 1.00 0.00 C ATOM 1080 NZ LYS A 70 10.687 6.736 14.676 1.00 0.00 N ATOM 0 H LYS A 70 9.856 7.578 8.221 1.00 0.00 H new ATOM 0 HA LYS A 70 7.778 8.018 10.240 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.774 8.327 10.069 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.890 9.247 11.270 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.381 6.291 11.071 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.873 6.836 11.809 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.364 8.417 13.231 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.031 7.419 12.686 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.607 6.332 14.657 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.535 5.410 13.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.652 6.334 15.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.503 6.343 14.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.782 7.770 14.737 1.00 0.00 H new ATOM 1094 N LYS A 71 9.013 10.308 8.258 1.00 0.00 N ATOM 1095 CA LYS A 71 8.836 11.674 7.779 1.00 0.00 C ATOM 1096 C LYS A 71 7.646 11.767 6.829 1.00 0.00 C ATOM 1097 O LYS A 71 7.774 11.508 5.632 1.00 0.00 O ATOM 1098 CB LYS A 71 10.105 12.157 7.073 1.00 0.00 C ATOM 1099 CG LYS A 71 11.336 12.151 7.962 1.00 0.00 C ATOM 1100 CD LYS A 71 12.385 13.133 7.469 1.00 0.00 C ATOM 1101 CE LYS A 71 13.216 12.541 6.341 1.00 0.00 C ATOM 1102 NZ LYS A 71 12.559 12.720 5.016 1.00 0.00 N ATOM 0 H LYS A 71 9.654 9.745 7.699 1.00 0.00 H new ATOM 0 HA LYS A 71 8.642 12.313 8.641 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.291 11.524 6.205 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.941 13.168 6.701 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.050 12.405 8.983 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.761 11.147 7.990 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.898 14.045 7.124 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.038 13.414 8.295 1.00 0.00 H new ATOM 0 HE2 LYS A 71 14.198 13.014 6.326 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.376 11.479 6.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.284 12.760 4.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.920 11.920 4.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.013 13.605 5.016 1.00 0.00 H new ATOM 1116 N ILE A 72 6.491 12.141 7.370 1.00 0.00 N ATOM 1117 CA ILE A 72 5.280 12.271 6.570 1.00 0.00 C ATOM 1118 C ILE A 72 4.824 13.724 6.496 1.00 0.00 C ATOM 1119 O ILE A 72 4.024 14.175 7.315 1.00 0.00 O ATOM 1120 CB ILE A 72 4.135 11.413 7.138 1.00 0.00 C ATOM 1121 CG1 ILE A 72 4.639 10.008 7.475 1.00 0.00 C ATOM 1122 CG2 ILE A 72 2.982 11.344 6.148 1.00 0.00 C ATOM 1123 CD1 ILE A 72 3.747 9.262 8.442 1.00 0.00 C ATOM 0 H ILE A 72 6.369 12.359 8.359 1.00 0.00 H new ATOM 0 HA ILE A 72 5.524 11.918 5.568 1.00 0.00 H new ATOM 0 HB ILE A 72 3.774 11.879 8.055 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.725 9.431 6.554 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.640 10.082 7.900 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.181 10.734 6.565 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.609 12.349 5.954 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.329 10.899 5.215 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.166 8.274 8.635 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.680 9.817 9.378 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.751 9.156 8.011 1.00 0.00 H new ATOM 1135 N GLN A 73 5.336 14.450 5.507 1.00 0.00 N ATOM 1136 CA GLN A 73 4.980 15.852 5.326 1.00 0.00 C ATOM 1137 C GLN A 73 4.270 16.065 3.993 1.00 0.00 C ATOM 1138 O GLN A 73 4.841 15.825 2.929 1.00 0.00 O ATOM 1139 CB GLN A 73 6.229 16.731 5.398 1.00 0.00 C ATOM 1140 CG GLN A 73 5.929 18.221 5.344 1.00 0.00 C ATOM 1141 CD GLN A 73 7.186 19.068 5.301 1.00 0.00 C ATOM 1142 OE1 GLN A 73 7.350 19.996 6.094 1.00 0.00 O ATOM 1143 NE2 GLN A 73 8.081 18.753 4.373 1.00 0.00 N ATOM 0 H GLN A 73 5.998 14.090 4.819 1.00 0.00 H new ATOM 0 HA GLN A 73 4.299 16.135 6.129 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.766 16.510 6.321 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.893 16.472 4.573 1.00 0.00 H new ATOM 0 HG2 GLN A 73 5.322 18.434 4.464 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.337 18.500 6.215 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.904 17.976 3.737 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.946 19.288 4.296 1.00 0.00 H new ATOM 1152 N ALA A 74 3.022 16.517 4.058 1.00 0.00 N ATOM 1153 CA ALA A 74 2.235 16.764 2.856 1.00 0.00 C ATOM 1154 C ALA A 74 2.816 17.919 2.047 1.00 0.00 C ATOM 1155 O ALA A 74 2.389 19.065 2.189 1.00 0.00 O ATOM 1156 CB ALA A 74 0.787 17.050 3.223 1.00 0.00 C ATOM 0 H ALA A 74 2.534 16.720 4.931 1.00 0.00 H new ATOM 0 HA ALA A 74 2.271 15.867 2.237 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.211 17.233 2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.370 16.193 3.752 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.741 17.930 3.865 1.00 0.00 H new ATOM 1162 N SER A 75 3.792 17.610 1.200 1.00 0.00 N ATOM 1163 CA SER A 75 4.435 18.623 0.371 1.00 0.00 C ATOM 1164 C SER A 75 3.567 18.969 -0.835 1.00 0.00 C ATOM 1165 O SER A 75 2.491 18.402 -1.024 1.00 0.00 O ATOM 1166 CB SER A 75 5.807 18.135 -0.096 1.00 0.00 C ATOM 1167 OG SER A 75 6.697 17.989 0.997 1.00 0.00 O ATOM 0 H SER A 75 4.155 16.666 1.069 1.00 0.00 H new ATOM 0 HA SER A 75 4.564 19.522 0.974 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.700 17.181 -0.612 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.222 18.841 -0.815 1.00 0.00 H new ATOM 0 HG SER A 75 7.389 18.681 0.950 1.00 0.00 H new ATOM 1173 N THR A 76 4.044 19.905 -1.650 1.00 0.00 N ATOM 1174 CA THR A 76 3.313 20.329 -2.837 1.00 0.00 C ATOM 1175 C THR A 76 4.188 20.240 -4.083 1.00 0.00 C ATOM 1176 O THR A 76 3.709 20.414 -5.203 1.00 0.00 O ATOM 1177 CB THR A 76 2.793 21.772 -2.692 1.00 0.00 C ATOM 1178 OG1 THR A 76 3.876 22.654 -2.378 1.00 0.00 O ATOM 1179 CG2 THR A 76 1.732 21.857 -1.606 1.00 0.00 C ATOM 0 H THR A 76 4.934 20.384 -1.509 1.00 0.00 H new ATOM 0 HA THR A 76 2.464 19.653 -2.943 1.00 0.00 H new ATOM 0 HB THR A 76 2.345 22.071 -3.640 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.537 23.569 -2.289 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.379 22.885 -1.521 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.896 21.207 -1.863 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.159 21.540 -0.654 1.00 0.00 H new ATOM 1187 N MET A 77 5.473 19.966 -3.879 1.00 0.00 N ATOM 1188 CA MET A 77 6.414 19.851 -4.987 1.00 0.00 C ATOM 1189 C MET A 77 6.124 18.606 -5.820 1.00 0.00 C ATOM 1190 O MET A 77 6.001 17.505 -5.285 1.00 0.00 O ATOM 1191 CB MET A 77 7.850 19.805 -4.461 1.00 0.00 C ATOM 1192 CG MET A 77 8.397 21.167 -4.068 1.00 0.00 C ATOM 1193 SD MET A 77 8.707 22.229 -5.491 1.00 0.00 S ATOM 1194 CE MET A 77 9.165 23.759 -4.679 1.00 0.00 C ATOM 0 H MET A 77 5.886 19.820 -2.958 1.00 0.00 H new ATOM 0 HA MET A 77 6.296 20.727 -5.624 1.00 0.00 H new ATOM 0 HB2 MET A 77 7.890 19.143 -3.596 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.494 19.370 -5.225 1.00 0.00 H new ATOM 0 HG2 MET A 77 7.690 21.659 -3.400 1.00 0.00 H new ATOM 0 HG3 MET A 77 9.324 21.035 -3.510 1.00 0.00 H new ATOM 0 HE1 MET A 77 9.387 24.517 -5.430 1.00 0.00 H new ATOM 0 HE2 MET A 77 8.340 24.100 -4.053 1.00 0.00 H new ATOM 0 HE3 MET A 77 10.046 23.593 -4.060 1.00 0.00 H new ATOM 1204 N ALA A 78 6.017 18.790 -7.132 1.00 0.00 N ATOM 1205 CA ALA A 78 5.744 17.681 -8.038 1.00 0.00 C ATOM 1206 C ALA A 78 6.676 16.506 -7.765 1.00 0.00 C ATOM 1207 O ALA A 78 6.263 15.347 -7.816 1.00 0.00 O ATOM 1208 CB ALA A 78 5.875 18.137 -9.484 1.00 0.00 C ATOM 0 H ALA A 78 6.115 19.696 -7.591 1.00 0.00 H new ATOM 0 HA ALA A 78 4.721 17.346 -7.865 1.00 0.00 H new ATOM 0 HB1 ALA A 78 5.669 17.299 -10.150 1.00 0.00 H new ATOM 0 HB2 ALA A 78 5.163 18.939 -9.679 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.887 18.500 -9.661 1.00 0.00 H new ATOM 1214 N PHE A 79 7.936 16.812 -7.475 1.00 0.00 N ATOM 1215 CA PHE A 79 8.928 15.780 -7.195 1.00 0.00 C ATOM 1216 C PHE A 79 8.663 15.122 -5.844 1.00 0.00 C ATOM 1217 O PHE A 79 8.540 13.901 -5.748 1.00 0.00 O ATOM 1218 CB PHE A 79 10.337 16.378 -7.216 1.00 0.00 C ATOM 1219 CG PHE A 79 11.339 15.577 -6.435 1.00 0.00 C ATOM 1220 CD1 PHE A 79 11.985 14.497 -7.014 1.00 0.00 C ATOM 1221 CD2 PHE A 79 11.635 15.904 -5.121 1.00 0.00 C ATOM 1222 CE1 PHE A 79 12.909 13.758 -6.298 1.00 0.00 C ATOM 1223 CE2 PHE A 79 12.558 15.170 -4.401 1.00 0.00 C ATOM 1224 CZ PHE A 79 13.195 14.095 -4.990 1.00 0.00 C ATOM 0 H PHE A 79 8.295 17.766 -7.428 1.00 0.00 H new ATOM 0 HA PHE A 79 8.852 15.018 -7.971 1.00 0.00 H new ATOM 0 HB2 PHE A 79 10.674 16.458 -8.250 1.00 0.00 H new ATOM 0 HB3 PHE A 79 10.300 17.390 -6.814 1.00 0.00 H new ATOM 0 HD1 PHE A 79 11.764 14.229 -8.037 1.00 0.00 H new ATOM 0 HD2 PHE A 79 11.139 16.742 -4.655 1.00 0.00 H new ATOM 0 HE1 PHE A 79 13.406 12.919 -6.761 1.00 0.00 H new ATOM 0 HE2 PHE A 79 12.781 15.437 -3.378 1.00 0.00 H new ATOM 0 HZ PHE A 79 13.916 13.519 -4.428 1.00 0.00 H new ATOM 1234 N LYS A 80 8.576 15.941 -4.801 1.00 0.00 N ATOM 1235 CA LYS A 80 8.324 15.441 -3.454 1.00 0.00 C ATOM 1236 C LYS A 80 7.103 14.527 -3.432 1.00 0.00 C ATOM 1237 O LYS A 80 7.121 13.469 -2.804 1.00 0.00 O ATOM 1238 CB LYS A 80 8.119 16.608 -2.486 1.00 0.00 C ATOM 1239 CG LYS A 80 9.366 17.447 -2.271 1.00 0.00 C ATOM 1240 CD LYS A 80 10.275 16.836 -1.217 1.00 0.00 C ATOM 1241 CE LYS A 80 9.705 17.014 0.181 1.00 0.00 C ATOM 1242 NZ LYS A 80 10.167 18.282 0.811 1.00 0.00 N ATOM 0 H LYS A 80 8.676 16.954 -4.863 1.00 0.00 H new ATOM 0 HA LYS A 80 9.193 14.863 -3.139 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.322 17.248 -2.865 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.784 16.217 -1.525 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.909 17.540 -3.211 1.00 0.00 H new ATOM 0 HG3 LYS A 80 9.080 18.454 -1.967 1.00 0.00 H new ATOM 0 HD2 LYS A 80 10.411 15.774 -1.423 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.260 17.300 -1.271 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.616 17.008 0.133 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.001 16.170 0.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.757 18.366 1.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.205 18.277 0.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.863 19.089 0.230 1.00 0.00 H new ATOM 1256 N GLN A 81 6.046 14.943 -4.123 1.00 0.00 N ATOM 1257 CA GLN A 81 4.818 14.160 -4.183 1.00 0.00 C ATOM 1258 C GLN A 81 5.101 12.738 -4.657 1.00 0.00 C ATOM 1259 O GLN A 81 4.872 11.773 -3.928 1.00 0.00 O ATOM 1260 CB GLN A 81 3.806 14.829 -5.114 1.00 0.00 C ATOM 1261 CG GLN A 81 3.292 16.162 -4.597 1.00 0.00 C ATOM 1262 CD GLN A 81 2.142 16.005 -3.621 1.00 0.00 C ATOM 1263 OE1 GLN A 81 1.003 15.762 -4.020 1.00 0.00 O ATOM 1264 NE2 GLN A 81 2.435 16.144 -2.333 1.00 0.00 N ATOM 0 H GLN A 81 6.016 15.817 -4.648 1.00 0.00 H new ATOM 0 HA GLN A 81 4.399 14.111 -3.178 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.268 14.981 -6.090 1.00 0.00 H new ATOM 0 HB3 GLN A 81 2.961 14.156 -5.262 1.00 0.00 H new ATOM 0 HG2 GLN A 81 4.107 16.697 -4.109 1.00 0.00 H new ATOM 0 HG3 GLN A 81 2.968 16.774 -5.439 1.00 0.00 H new ATOM 0 HE21 GLN A 81 3.393 16.345 -2.047 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.702 16.050 -1.630 1.00 0.00 H new ATOM 1273 N MET A 82 5.599 12.616 -5.883 1.00 0.00 N ATOM 1274 CA MET A 82 5.914 11.312 -6.453 1.00 0.00 C ATOM 1275 C MET A 82 7.029 10.630 -5.668 1.00 0.00 C ATOM 1276 O MET A 82 7.121 9.403 -5.643 1.00 0.00 O ATOM 1277 CB MET A 82 6.323 11.459 -7.920 1.00 0.00 C ATOM 1278 CG MET A 82 7.744 11.965 -8.107 1.00 0.00 C ATOM 1279 SD MET A 82 8.271 11.937 -9.831 1.00 0.00 S ATOM 1280 CE MET A 82 7.762 13.569 -10.367 1.00 0.00 C ATOM 0 H MET A 82 5.793 13.404 -6.500 1.00 0.00 H new ATOM 0 HA MET A 82 5.020 10.691 -6.393 1.00 0.00 H new ATOM 0 HB2 MET A 82 6.222 10.493 -8.415 1.00 0.00 H new ATOM 0 HB3 MET A 82 5.634 12.144 -8.414 1.00 0.00 H new ATOM 0 HG2 MET A 82 7.816 12.984 -7.726 1.00 0.00 H new ATOM 0 HG3 MET A 82 8.424 11.354 -7.513 1.00 0.00 H new ATOM 0 HE1 MET A 82 7.363 13.511 -11.380 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.992 13.949 -9.695 1.00 0.00 H new ATOM 0 HE3 MET A 82 8.620 14.241 -10.353 1.00 0.00 H new ATOM 1290 N GLU A 83 7.873 11.433 -5.028 1.00 0.00 N ATOM 1291 CA GLU A 83 8.983 10.905 -4.243 1.00 0.00 C ATOM 1292 C GLU A 83 8.476 10.218 -2.978 1.00 0.00 C ATOM 1293 O GLU A 83 9.042 9.221 -2.532 1.00 0.00 O ATOM 1294 CB GLU A 83 9.955 12.027 -3.874 1.00 0.00 C ATOM 1295 CG GLU A 83 11.078 11.581 -2.952 1.00 0.00 C ATOM 1296 CD GLU A 83 11.668 12.727 -2.154 1.00 0.00 C ATOM 1297 OE1 GLU A 83 10.899 13.418 -1.453 1.00 0.00 O ATOM 1298 OE2 GLU A 83 12.897 12.933 -2.230 1.00 0.00 O ATOM 0 H GLU A 83 7.810 12.451 -5.038 1.00 0.00 H new ATOM 0 HA GLU A 83 9.506 10.167 -4.851 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.387 12.437 -4.787 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.401 12.833 -3.394 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.700 10.822 -2.266 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.864 11.113 -3.544 1.00 0.00 H new ATOM 1305 N GLN A 84 7.407 10.762 -2.405 1.00 0.00 N ATOM 1306 CA GLN A 84 6.824 10.203 -1.191 1.00 0.00 C ATOM 1307 C GLN A 84 6.236 8.821 -1.456 1.00 0.00 C ATOM 1308 O GLN A 84 6.321 7.928 -0.612 1.00 0.00 O ATOM 1309 CB GLN A 84 5.742 11.135 -0.643 1.00 0.00 C ATOM 1310 CG GLN A 84 5.147 10.668 0.675 1.00 0.00 C ATOM 1311 CD GLN A 84 6.177 10.585 1.784 1.00 0.00 C ATOM 1312 OE1 GLN A 84 6.918 9.607 1.887 1.00 0.00 O ATOM 1313 NE2 GLN A 84 6.230 11.614 2.621 1.00 0.00 N ATOM 0 H GLN A 84 6.927 11.589 -2.762 1.00 0.00 H new ATOM 0 HA GLN A 84 7.617 10.104 -0.450 1.00 0.00 H new ATOM 0 HB2 GLN A 84 6.166 12.130 -0.508 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.944 11.225 -1.380 1.00 0.00 H new ATOM 0 HG2 GLN A 84 4.352 11.352 0.973 1.00 0.00 H new ATOM 0 HG3 GLN A 84 4.689 9.689 0.536 1.00 0.00 H new ATOM 0 HE21 GLN A 84 5.597 12.404 2.499 1.00 0.00 H new ATOM 0 HE22 GLN A 84 6.904 11.614 3.387 1.00 0.00 H new ATOM 1322 N ILE A 85 5.639 8.653 -2.631 1.00 0.00 N ATOM 1323 CA ILE A 85 5.037 7.379 -3.006 1.00 0.00 C ATOM 1324 C ILE A 85 6.046 6.241 -2.899 1.00 0.00 C ATOM 1325 O ILE A 85 5.756 5.193 -2.324 1.00 0.00 O ATOM 1326 CB ILE A 85 4.478 7.422 -4.440 1.00 0.00 C ATOM 1327 CG1 ILE A 85 3.403 8.504 -4.560 1.00 0.00 C ATOM 1328 CG2 ILE A 85 3.915 6.063 -4.830 1.00 0.00 C ATOM 1329 CD1 ILE A 85 2.882 8.685 -5.968 1.00 0.00 C ATOM 0 H ILE A 85 5.559 9.382 -3.339 1.00 0.00 H new ATOM 0 HA ILE A 85 4.217 7.200 -2.310 1.00 0.00 H new ATOM 0 HB ILE A 85 5.291 7.667 -5.124 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.571 8.252 -3.903 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.812 9.451 -4.208 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.524 6.109 -5.846 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.705 5.314 -4.779 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.113 5.791 -4.144 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.123 9.468 -5.977 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.703 8.968 -6.626 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.443 7.750 -6.317 1.00 0.00 H new ATOM 1341 N SER A 86 7.234 6.457 -3.457 1.00 0.00 N ATOM 1342 CA SER A 86 8.286 5.448 -3.426 1.00 0.00 C ATOM 1343 C SER A 86 8.531 4.961 -2.001 1.00 0.00 C ATOM 1344 O SER A 86 8.447 3.766 -1.720 1.00 0.00 O ATOM 1345 CB SER A 86 9.581 6.014 -4.013 1.00 0.00 C ATOM 1346 OG SER A 86 10.677 5.153 -3.756 1.00 0.00 O ATOM 0 H SER A 86 7.491 7.321 -3.935 1.00 0.00 H new ATOM 0 HA SER A 86 7.961 4.601 -4.030 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.467 6.151 -5.088 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.779 6.997 -3.585 1.00 0.00 H new ATOM 0 HG SER A 86 11.492 5.536 -4.143 1.00 0.00 H new ATOM 1352 N GLN A 87 8.834 5.896 -1.107 1.00 0.00 N ATOM 1353 CA GLN A 87 9.092 5.563 0.289 1.00 0.00 C ATOM 1354 C GLN A 87 8.166 4.447 0.762 1.00 0.00 C ATOM 1355 O GLN A 87 8.587 3.537 1.475 1.00 0.00 O ATOM 1356 CB GLN A 87 8.914 6.799 1.172 1.00 0.00 C ATOM 1357 CG GLN A 87 10.032 7.818 1.025 1.00 0.00 C ATOM 1358 CD GLN A 87 10.048 8.833 2.150 1.00 0.00 C ATOM 1359 OE1 GLN A 87 10.261 8.486 3.312 1.00 0.00 O ATOM 1360 NE2 GLN A 87 9.822 10.097 1.811 1.00 0.00 N ATOM 0 H GLN A 87 8.907 6.890 -1.324 1.00 0.00 H new ATOM 0 HA GLN A 87 10.122 5.214 0.369 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.965 7.276 0.928 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.854 6.485 2.214 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.990 7.299 0.996 1.00 0.00 H new ATOM 0 HG3 GLN A 87 9.922 8.338 0.073 1.00 0.00 H new ATOM 0 HE21 GLN A 87 9.650 10.340 0.836 1.00 0.00 H new ATOM 0 HE22 GLN A 87 9.821 10.824 2.526 1.00 0.00 H new ATOM 1369 N PHE A 88 6.901 4.525 0.360 1.00 0.00 N ATOM 1370 CA PHE A 88 5.914 3.522 0.744 1.00 0.00 C ATOM 1371 C PHE A 88 6.205 2.186 0.067 1.00 0.00 C ATOM 1372 O PHE A 88 6.308 1.152 0.728 1.00 0.00 O ATOM 1373 CB PHE A 88 4.506 3.996 0.380 1.00 0.00 C ATOM 1374 CG PHE A 88 3.513 2.877 0.243 1.00 0.00 C ATOM 1375 CD1 PHE A 88 3.377 1.929 1.244 1.00 0.00 C ATOM 1376 CD2 PHE A 88 2.716 2.775 -0.885 1.00 0.00 C ATOM 1377 CE1 PHE A 88 2.465 0.898 1.120 1.00 0.00 C ATOM 1378 CE2 PHE A 88 1.802 1.746 -1.014 1.00 0.00 C ATOM 1379 CZ PHE A 88 1.676 0.807 -0.009 1.00 0.00 C ATOM 0 H PHE A 88 6.536 5.272 -0.231 1.00 0.00 H new ATOM 0 HA PHE A 88 5.975 3.383 1.823 1.00 0.00 H new ATOM 0 HB2 PHE A 88 4.156 4.690 1.144 1.00 0.00 H new ATOM 0 HB3 PHE A 88 4.549 4.550 -0.558 1.00 0.00 H new ATOM 0 HD1 PHE A 88 3.990 1.996 2.131 1.00 0.00 H new ATOM 0 HD2 PHE A 88 2.810 3.508 -1.673 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.370 0.164 1.906 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.187 1.676 -1.899 1.00 0.00 H new ATOM 0 HZ PHE A 88 0.961 0.003 -0.106 1.00 0.00 H new ATOM 1389 N LEU A 89 6.335 2.215 -1.254 1.00 0.00 N ATOM 1390 CA LEU A 89 6.613 1.007 -2.023 1.00 0.00 C ATOM 1391 C LEU A 89 7.855 0.298 -1.492 1.00 0.00 C ATOM 1392 O LEU A 89 7.830 -0.905 -1.231 1.00 0.00 O ATOM 1393 CB LEU A 89 6.800 1.351 -3.501 1.00 0.00 C ATOM 1394 CG LEU A 89 5.656 2.122 -4.161 1.00 0.00 C ATOM 1395 CD1 LEU A 89 6.053 2.572 -5.559 1.00 0.00 C ATOM 1396 CD2 LEU A 89 4.397 1.269 -4.211 1.00 0.00 C ATOM 0 H LEU A 89 6.252 3.062 -1.816 1.00 0.00 H new ATOM 0 HA LEU A 89 5.761 0.335 -1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.713 1.937 -3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.952 0.423 -4.053 1.00 0.00 H new ATOM 0 HG LEU A 89 5.447 3.008 -3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.227 3.119 -6.013 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.927 3.220 -5.498 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.290 1.700 -6.169 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.593 1.834 -4.684 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.593 0.365 -4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.102 0.997 -3.198 1.00 0.00 H new ATOM 1408 N GLN A 90 8.938 1.052 -1.333 1.00 0.00 N ATOM 1409 CA GLN A 90 10.189 0.495 -0.832 1.00 0.00 C ATOM 1410 C GLN A 90 9.931 -0.482 0.310 1.00 0.00 C ATOM 1411 O GLN A 90 10.470 -1.588 0.327 1.00 0.00 O ATOM 1412 CB GLN A 90 11.117 1.615 -0.361 1.00 0.00 C ATOM 1413 CG GLN A 90 11.775 2.380 -1.499 1.00 0.00 C ATOM 1414 CD GLN A 90 12.872 1.585 -2.179 1.00 0.00 C ATOM 1415 OE1 GLN A 90 13.738 1.010 -1.518 1.00 0.00 O ATOM 1416 NE2 GLN A 90 12.842 1.548 -3.506 1.00 0.00 N ATOM 0 H GLN A 90 8.974 2.049 -1.544 1.00 0.00 H new ATOM 0 HA GLN A 90 10.669 -0.046 -1.647 1.00 0.00 H new ATOM 0 HB2 GLN A 90 10.548 2.313 0.253 1.00 0.00 H new ATOM 0 HB3 GLN A 90 11.893 1.189 0.276 1.00 0.00 H new ATOM 0 HG2 GLN A 90 11.018 2.651 -2.235 1.00 0.00 H new ATOM 0 HG3 GLN A 90 12.192 3.310 -1.113 1.00 0.00 H new ATOM 0 HE21 GLN A 90 12.106 2.039 -4.013 1.00 0.00 H new ATOM 0 HE22 GLN A 90 13.555 1.028 -4.018 1.00 0.00 H new ATOM 1425 N ALA A 91 9.104 -0.065 1.263 1.00 0.00 N ATOM 1426 CA ALA A 91 8.773 -0.904 2.409 1.00 0.00 C ATOM 1427 C ALA A 91 7.806 -2.015 2.014 1.00 0.00 C ATOM 1428 O ALA A 91 7.989 -3.172 2.391 1.00 0.00 O ATOM 1429 CB ALA A 91 8.183 -0.060 3.528 1.00 0.00 C ATOM 0 H ALA A 91 8.651 0.849 1.264 1.00 0.00 H new ATOM 0 HA ALA A 91 9.692 -1.368 2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.941 -0.699 4.377 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.908 0.693 3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.277 0.432 3.174 1.00 0.00 H new ATOM 1435 N ALA A 92 6.776 -1.655 1.255 1.00 0.00 N ATOM 1436 CA ALA A 92 5.781 -2.622 0.809 1.00 0.00 C ATOM 1437 C ALA A 92 6.434 -3.946 0.429 1.00 0.00 C ATOM 1438 O ALA A 92 6.064 -5.001 0.943 1.00 0.00 O ATOM 1439 CB ALA A 92 4.992 -2.063 -0.366 1.00 0.00 C ATOM 0 H ALA A 92 6.609 -0.701 0.936 1.00 0.00 H new ATOM 0 HA ALA A 92 5.096 -2.810 1.636 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.252 -2.796 -0.689 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.486 -1.147 -0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.671 -1.846 -1.190 1.00 0.00 H new ATOM 1445 N GLU A 93 7.407 -3.883 -0.475 1.00 0.00 N ATOM 1446 CA GLU A 93 8.110 -5.079 -0.924 1.00 0.00 C ATOM 1447 C GLU A 93 8.879 -5.723 0.226 1.00 0.00 C ATOM 1448 O GLU A 93 8.783 -6.929 0.451 1.00 0.00 O ATOM 1449 CB GLU A 93 9.071 -4.734 -2.065 1.00 0.00 C ATOM 1450 CG GLU A 93 9.818 -5.937 -2.615 1.00 0.00 C ATOM 1451 CD GLU A 93 11.135 -6.182 -1.904 1.00 0.00 C ATOM 1452 OE1 GLU A 93 11.813 -5.193 -1.556 1.00 0.00 O ATOM 1453 OE2 GLU A 93 11.487 -7.362 -1.696 1.00 0.00 O ATOM 0 H GLU A 93 7.726 -3.017 -0.910 1.00 0.00 H new ATOM 0 HA GLU A 93 7.368 -5.791 -1.285 1.00 0.00 H new ATOM 0 HB2 GLU A 93 8.509 -4.265 -2.873 1.00 0.00 H new ATOM 0 HB3 GLU A 93 9.794 -3.999 -1.711 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.190 -6.823 -2.523 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.006 -5.788 -3.678 1.00 0.00 H new ATOM 1460 N ARG A 94 9.641 -4.909 0.950 1.00 0.00 N ATOM 1461 CA ARG A 94 10.427 -5.399 2.075 1.00 0.00 C ATOM 1462 C ARG A 94 9.530 -6.058 3.119 1.00 0.00 C ATOM 1463 O ARG A 94 9.996 -6.845 3.944 1.00 0.00 O ATOM 1464 CB ARG A 94 11.213 -4.252 2.713 1.00 0.00 C ATOM 1465 CG ARG A 94 12.592 -4.047 2.107 1.00 0.00 C ATOM 1466 CD ARG A 94 13.327 -2.895 2.774 1.00 0.00 C ATOM 1467 NE ARG A 94 14.587 -2.588 2.102 1.00 0.00 N ATOM 1468 CZ ARG A 94 15.180 -1.401 2.158 1.00 0.00 C ATOM 1469 NH1 ARG A 94 14.630 -0.414 2.853 1.00 0.00 N ATOM 1470 NH2 ARG A 94 16.325 -1.198 1.520 1.00 0.00 N ATOM 0 H ARG A 94 9.730 -3.908 0.777 1.00 0.00 H new ATOM 0 HA ARG A 94 11.127 -6.145 1.699 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.640 -3.330 2.612 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.320 -4.446 3.780 1.00 0.00 H new ATOM 0 HG2 ARG A 94 13.176 -4.962 2.211 1.00 0.00 H new ATOM 0 HG3 ARG A 94 12.496 -3.849 1.039 1.00 0.00 H new ATOM 0 HD2 ARG A 94 12.691 -2.010 2.773 1.00 0.00 H new ATOM 0 HD3 ARG A 94 13.524 -3.145 3.816 1.00 0.00 H new ATOM 0 HE ARG A 94 15.036 -3.326 1.560 1.00 0.00 H new ATOM 0 HH11 ARG A 94 13.750 -0.566 3.346 1.00 0.00 H new ATOM 0 HH12 ARG A 94 15.087 0.497 2.895 1.00 0.00 H new ATOM 0 HH21 ARG A 94 16.752 -1.954 0.985 1.00 0.00 H new ATOM 0 HH22 ARG A 94 16.779 -0.286 1.564 1.00 0.00 H new ATOM 1484 N TYR A 95 8.244 -5.731 3.077 1.00 0.00 N ATOM 1485 CA TYR A 95 7.282 -6.289 4.021 1.00 0.00 C ATOM 1486 C TYR A 95 6.874 -7.701 3.612 1.00 0.00 C ATOM 1487 O TYR A 95 6.751 -8.592 4.452 1.00 0.00 O ATOM 1488 CB TYR A 95 6.045 -5.394 4.110 1.00 0.00 C ATOM 1489 CG TYR A 95 4.802 -6.122 4.569 1.00 0.00 C ATOM 1490 CD1 TYR A 95 4.518 -6.268 5.921 1.00 0.00 C ATOM 1491 CD2 TYR A 95 3.912 -6.665 3.651 1.00 0.00 C ATOM 1492 CE1 TYR A 95 3.384 -6.933 6.346 1.00 0.00 C ATOM 1493 CE2 TYR A 95 2.775 -7.330 4.066 1.00 0.00 C ATOM 1494 CZ TYR A 95 2.516 -7.462 5.414 1.00 0.00 C ATOM 1495 OH TYR A 95 1.384 -8.125 5.833 1.00 0.00 O ATOM 0 H TYR A 95 7.843 -5.082 2.400 1.00 0.00 H new ATOM 0 HA TYR A 95 7.758 -6.337 5.000 1.00 0.00 H new ATOM 0 HB2 TYR A 95 6.250 -4.573 4.797 1.00 0.00 H new ATOM 0 HB3 TYR A 95 5.856 -4.951 3.132 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.196 -5.854 6.653 1.00 0.00 H new ATOM 0 HD2 TYR A 95 4.113 -6.565 2.594 1.00 0.00 H new ATOM 0 HE1 TYR A 95 3.179 -7.038 7.401 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.092 -7.744 3.339 1.00 0.00 H new ATOM 0 HH TYR A 95 1.585 -9.078 5.945 1.00 0.00 H new ATOM 1505 N GLY A 96 6.665 -7.897 2.314 1.00 0.00 N ATOM 1506 CA GLY A 96 6.273 -9.202 1.814 1.00 0.00 C ATOM 1507 C GLY A 96 5.841 -9.161 0.362 1.00 0.00 C ATOM 1508 O GLY A 96 6.166 -10.060 -0.415 1.00 0.00 O ATOM 0 H GLY A 96 6.760 -7.175 1.599 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.108 -9.895 1.922 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.456 -9.590 2.422 1.00 0.00 H new ATOM 1512 N ILE A 97 5.104 -8.118 -0.005 1.00 0.00 N ATOM 1513 CA ILE A 97 4.626 -7.965 -1.374 1.00 0.00 C ATOM 1514 C ILE A 97 5.770 -8.097 -2.373 1.00 0.00 C ATOM 1515 O ILE A 97 6.933 -7.886 -2.032 1.00 0.00 O ATOM 1516 CB ILE A 97 3.934 -6.605 -1.579 1.00 0.00 C ATOM 1517 CG1 ILE A 97 2.787 -6.436 -0.581 1.00 0.00 C ATOM 1518 CG2 ILE A 97 3.423 -6.481 -3.007 1.00 0.00 C ATOM 1519 CD1 ILE A 97 2.071 -5.109 -0.701 1.00 0.00 C ATOM 0 H ILE A 97 4.825 -7.367 0.626 1.00 0.00 H new ATOM 0 HA ILE A 97 3.902 -8.761 -1.547 1.00 0.00 H new ATOM 0 HB ILE A 97 4.662 -5.813 -1.404 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.068 -7.242 -0.727 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.179 -6.538 0.431 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.936 -5.514 -3.137 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.260 -6.562 -3.701 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.707 -7.278 -3.208 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.270 -5.059 0.037 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.777 -4.297 -0.526 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.649 -5.013 -1.701 1.00 0.00 H new ATOM 1531 N ASN A 98 5.431 -8.444 -3.610 1.00 0.00 N ATOM 1532 CA ASN A 98 6.429 -8.603 -4.661 1.00 0.00 C ATOM 1533 C ASN A 98 6.397 -7.421 -5.626 1.00 0.00 C ATOM 1534 O ASN A 98 5.327 -6.960 -6.026 1.00 0.00 O ATOM 1535 CB ASN A 98 6.193 -9.906 -5.426 1.00 0.00 C ATOM 1536 CG ASN A 98 7.475 -10.488 -5.989 1.00 0.00 C ATOM 1537 OD1 ASN A 98 7.517 -10.666 -7.304 1.00 0.00 O flip ATOM 1538 ND2 ASN A 98 8.417 -10.774 -5.249 1.00 0.00 N flip ATOM 0 H ASN A 98 4.472 -8.621 -3.909 1.00 0.00 H new ATOM 0 HA ASN A 98 7.412 -8.639 -4.191 1.00 0.00 H new ATOM 0 HB2 ASN A 98 5.728 -10.634 -4.762 1.00 0.00 H new ATOM 0 HB3 ASN A 98 5.492 -9.724 -6.240 1.00 0.00 H new ATOM 0 HD21 ASN A 98 8.341 -10.620 -4.244 1.00 0.00 H new ATOM 0 HD22 ASN A 98 9.274 -11.165 -5.642 1.00 0.00 H new ATOM 1545 N THR A 99 7.577 -6.934 -5.996 1.00 0.00 N ATOM 1546 CA THR A 99 7.684 -5.806 -6.913 1.00 0.00 C ATOM 1547 C THR A 99 6.795 -6.004 -8.135 1.00 0.00 C ATOM 1548 O THR A 99 6.124 -5.075 -8.586 1.00 0.00 O ATOM 1549 CB THR A 99 9.137 -5.596 -7.378 1.00 0.00 C ATOM 1550 OG1 THR A 99 9.715 -6.849 -7.762 1.00 0.00 O ATOM 1551 CG2 THR A 99 9.973 -4.964 -6.274 1.00 0.00 C ATOM 0 H THR A 99 8.472 -7.303 -5.675 1.00 0.00 H new ATOM 0 HA THR A 99 7.354 -4.923 -6.367 1.00 0.00 H new ATOM 0 HB THR A 99 9.127 -4.923 -8.235 1.00 0.00 H new ATOM 0 HG1 THR A 99 10.638 -6.706 -8.058 1.00 0.00 H new ATOM 0 HG21 THR A 99 10.995 -4.825 -6.626 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.548 -3.997 -6.004 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.975 -5.616 -5.401 1.00 0.00 H new ATOM 1559 N THR A 100 6.794 -7.222 -8.669 1.00 0.00 N ATOM 1560 CA THR A 100 5.987 -7.542 -9.840 1.00 0.00 C ATOM 1561 C THR A 100 4.611 -6.891 -9.755 1.00 0.00 C ATOM 1562 O THR A 100 4.211 -6.143 -10.647 1.00 0.00 O ATOM 1563 CB THR A 100 5.814 -9.064 -10.004 1.00 0.00 C ATOM 1564 OG1 THR A 100 7.092 -9.708 -9.974 1.00 0.00 O ATOM 1565 CG2 THR A 100 5.105 -9.390 -11.310 1.00 0.00 C ATOM 0 H THR A 100 7.343 -8.003 -8.309 1.00 0.00 H new ATOM 0 HA THR A 100 6.518 -7.149 -10.707 1.00 0.00 H new ATOM 0 HB THR A 100 5.205 -9.430 -9.178 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.267 -10.046 -9.071 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.994 -10.470 -11.404 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.120 -8.922 -11.316 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.692 -9.011 -12.147 1.00 0.00 H new ATOM 1573 N ASP A 101 3.891 -7.181 -8.676 1.00 0.00 N ATOM 1574 CA ASP A 101 2.560 -6.622 -8.473 1.00 0.00 C ATOM 1575 C ASP A 101 2.635 -5.123 -8.200 1.00 0.00 C ATOM 1576 O ASP A 101 1.871 -4.340 -8.766 1.00 0.00 O ATOM 1577 CB ASP A 101 1.857 -7.329 -7.313 1.00 0.00 C ATOM 1578 CG ASP A 101 1.456 -8.750 -7.660 1.00 0.00 C ATOM 1579 OD1 ASP A 101 2.228 -9.428 -8.369 1.00 0.00 O ATOM 1580 OD2 ASP A 101 0.369 -9.183 -7.222 1.00 0.00 O ATOM 0 H ASP A 101 4.207 -7.800 -7.929 1.00 0.00 H new ATOM 0 HA ASP A 101 1.985 -6.779 -9.386 1.00 0.00 H new ATOM 0 HB2 ASP A 101 2.517 -7.342 -6.446 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.970 -6.763 -7.030 1.00 0.00 H new ATOM 1585 N ILE A 102 3.559 -4.731 -7.330 1.00 0.00 N ATOM 1586 CA ILE A 102 3.734 -3.326 -6.982 1.00 0.00 C ATOM 1587 C ILE A 102 3.680 -2.442 -8.223 1.00 0.00 C ATOM 1588 O ILE A 102 4.270 -2.764 -9.255 1.00 0.00 O ATOM 1589 CB ILE A 102 5.070 -3.089 -6.254 1.00 0.00 C ATOM 1590 CG1 ILE A 102 5.128 -3.912 -4.966 1.00 0.00 C ATOM 1591 CG2 ILE A 102 5.252 -1.609 -5.952 1.00 0.00 C ATOM 1592 CD1 ILE A 102 6.461 -3.831 -4.256 1.00 0.00 C ATOM 0 H ILE A 102 4.198 -5.366 -6.853 1.00 0.00 H new ATOM 0 HA ILE A 102 2.914 -3.061 -6.314 1.00 0.00 H new ATOM 0 HB ILE A 102 5.883 -3.411 -6.904 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.344 -3.570 -4.290 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.913 -4.955 -5.201 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.201 -1.457 -5.437 1.00 0.00 H new ATOM 0 HG22 ILE A 102 5.250 -1.045 -6.884 1.00 0.00 H new ATOM 0 HG23 ILE A 102 4.436 -1.264 -5.318 1.00 0.00 H new ATOM 0 HD11 ILE A 102 6.429 -4.439 -3.352 1.00 0.00 H new ATOM 0 HD12 ILE A 102 7.247 -4.201 -4.914 1.00 0.00 H new ATOM 0 HD13 ILE A 102 6.669 -2.795 -3.990 1.00 0.00 H new ATOM 1604 N PHE A 103 2.969 -1.324 -8.116 1.00 0.00 N ATOM 1605 CA PHE A 103 2.838 -0.392 -9.229 1.00 0.00 C ATOM 1606 C PHE A 103 4.072 0.499 -9.341 1.00 0.00 C ATOM 1607 O PHE A 103 5.028 0.350 -8.580 1.00 0.00 O ATOM 1608 CB PHE A 103 1.587 0.471 -9.055 1.00 0.00 C ATOM 1609 CG PHE A 103 1.649 1.384 -7.864 1.00 0.00 C ATOM 1610 CD1 PHE A 103 1.303 0.924 -6.603 1.00 0.00 C ATOM 1611 CD2 PHE A 103 2.054 2.701 -8.004 1.00 0.00 C ATOM 1612 CE1 PHE A 103 1.359 1.762 -5.506 1.00 0.00 C ATOM 1613 CE2 PHE A 103 2.112 3.544 -6.910 1.00 0.00 C ATOM 1614 CZ PHE A 103 1.765 3.073 -5.659 1.00 0.00 C ATOM 0 H PHE A 103 2.475 -1.042 -7.269 1.00 0.00 H new ATOM 0 HA PHE A 103 2.746 -0.973 -10.147 1.00 0.00 H new ATOM 0 HB2 PHE A 103 1.440 1.069 -9.954 1.00 0.00 H new ATOM 0 HB3 PHE A 103 0.717 -0.179 -8.959 1.00 0.00 H new ATOM 0 HD1 PHE A 103 0.986 -0.101 -6.477 1.00 0.00 H new ATOM 0 HD2 PHE A 103 2.328 3.074 -8.980 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.085 1.392 -4.529 1.00 0.00 H new ATOM 0 HE2 PHE A 103 2.428 4.569 -7.033 1.00 0.00 H new ATOM 0 HZ PHE A 103 1.811 3.729 -4.802 1.00 0.00 H new ATOM 1624 N GLN A 104 4.043 1.424 -10.295 1.00 0.00 N ATOM 1625 CA GLN A 104 5.159 2.338 -10.507 1.00 0.00 C ATOM 1626 C GLN A 104 4.816 3.740 -10.016 1.00 0.00 C ATOM 1627 O GLN A 104 3.729 4.254 -10.282 1.00 0.00 O ATOM 1628 CB GLN A 104 5.536 2.381 -11.989 1.00 0.00 C ATOM 1629 CG GLN A 104 6.148 1.087 -12.499 1.00 0.00 C ATOM 1630 CD GLN A 104 5.104 0.044 -12.847 1.00 0.00 C ATOM 1631 OE1 GLN A 104 3.984 0.377 -13.234 1.00 0.00 O ATOM 1632 NE2 GLN A 104 5.467 -1.226 -12.711 1.00 0.00 N ATOM 0 H GLN A 104 3.259 1.560 -10.933 1.00 0.00 H new ATOM 0 HA GLN A 104 6.010 1.971 -9.933 1.00 0.00 H new ATOM 0 HB2 GLN A 104 4.646 2.608 -12.575 1.00 0.00 H new ATOM 0 HB3 GLN A 104 6.241 3.196 -12.152 1.00 0.00 H new ATOM 0 HG2 GLN A 104 6.753 1.299 -13.381 1.00 0.00 H new ATOM 0 HG3 GLN A 104 6.820 0.684 -11.741 1.00 0.00 H new ATOM 0 HE21 GLN A 104 6.406 -1.456 -12.387 1.00 0.00 H new ATOM 0 HE22 GLN A 104 4.806 -1.972 -12.931 1.00 0.00 H new ATOM 1641 N THR A 105 5.750 4.355 -9.297 1.00 0.00 N ATOM 1642 CA THR A 105 5.546 5.698 -8.767 1.00 0.00 C ATOM 1643 C THR A 105 4.760 6.562 -9.747 1.00 0.00 C ATOM 1644 O THR A 105 3.761 7.181 -9.381 1.00 0.00 O ATOM 1645 CB THR A 105 6.886 6.388 -8.453 1.00 0.00 C ATOM 1646 OG1 THR A 105 7.675 5.557 -7.594 1.00 0.00 O ATOM 1647 CG2 THR A 105 6.658 7.739 -7.792 1.00 0.00 C ATOM 0 H THR A 105 6.655 3.944 -9.068 1.00 0.00 H new ATOM 0 HA THR A 105 4.977 5.590 -7.844 1.00 0.00 H new ATOM 0 HB THR A 105 7.417 6.547 -9.392 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.526 6.002 -7.400 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.619 8.207 -7.580 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.083 8.379 -8.461 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.109 7.600 -6.861 1.00 0.00 H new ATOM 1655 N VAL A 106 5.216 6.599 -10.995 1.00 0.00 N ATOM 1656 CA VAL A 106 4.554 7.386 -12.028 1.00 0.00 C ATOM 1657 C VAL A 106 3.159 6.845 -12.321 1.00 0.00 C ATOM 1658 O VAL A 106 2.192 7.603 -12.395 1.00 0.00 O ATOM 1659 CB VAL A 106 5.372 7.399 -13.333 1.00 0.00 C ATOM 1660 CG1 VAL A 106 5.465 5.999 -13.921 1.00 0.00 C ATOM 1661 CG2 VAL A 106 4.760 8.367 -14.335 1.00 0.00 C ATOM 0 H VAL A 106 6.042 6.093 -11.315 1.00 0.00 H new ATOM 0 HA VAL A 106 4.473 8.404 -11.648 1.00 0.00 H new ATOM 0 HB VAL A 106 6.382 7.738 -13.104 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.047 6.029 -14.842 1.00 0.00 H new ATOM 0 HG12 VAL A 106 5.952 5.336 -13.206 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.463 5.628 -14.136 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.350 8.364 -15.251 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.739 8.060 -14.560 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.752 9.372 -13.912 1.00 0.00 H new ATOM 1671 N ASP A 107 3.063 5.531 -12.487 1.00 0.00 N ATOM 1672 CA ASP A 107 1.785 4.888 -12.771 1.00 0.00 C ATOM 1673 C ASP A 107 0.657 5.552 -11.988 1.00 0.00 C ATOM 1674 O ASP A 107 -0.349 5.970 -12.562 1.00 0.00 O ATOM 1675 CB ASP A 107 1.853 3.398 -12.429 1.00 0.00 C ATOM 1676 CG ASP A 107 0.575 2.664 -12.785 1.00 0.00 C ATOM 1677 OD1 ASP A 107 -0.514 3.153 -12.415 1.00 0.00 O ATOM 1678 OD2 ASP A 107 0.663 1.601 -13.433 1.00 0.00 O ATOM 0 H ASP A 107 3.854 4.890 -12.430 1.00 0.00 H new ATOM 0 HA ASP A 107 1.578 4.999 -13.835 1.00 0.00 H new ATOM 0 HB2 ASP A 107 2.689 2.944 -12.960 1.00 0.00 H new ATOM 0 HB3 ASP A 107 2.051 3.281 -11.364 1.00 0.00 H new ATOM 1683 N LEU A 108 0.830 5.644 -10.674 1.00 0.00 N ATOM 1684 CA LEU A 108 -0.174 6.256 -9.811 1.00 0.00 C ATOM 1685 C LEU A 108 -0.077 7.778 -9.857 1.00 0.00 C ATOM 1686 O LEU A 108 -1.084 8.469 -10.008 1.00 0.00 O ATOM 1687 CB LEU A 108 -0.005 5.767 -8.372 1.00 0.00 C ATOM 1688 CG LEU A 108 -0.847 6.484 -7.316 1.00 0.00 C ATOM 1689 CD1 LEU A 108 -2.297 6.031 -7.391 1.00 0.00 C ATOM 1690 CD2 LEU A 108 -0.281 6.238 -5.925 1.00 0.00 C ATOM 0 H LEU A 108 1.656 5.303 -10.183 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.158 5.961 -10.175 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.246 4.704 -8.340 1.00 0.00 H new ATOM 0 HB3 LEU A 108 1.045 5.864 -8.098 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.812 7.555 -7.517 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.881 6.552 -6.632 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.699 6.259 -8.378 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.352 4.956 -7.217 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.893 6.756 -5.186 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.285 5.169 -5.714 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.741 6.613 -5.877 1.00 0.00 H new ATOM 1702 N TRP A 109 1.141 8.292 -9.729 1.00 0.00 N ATOM 1703 CA TRP A 109 1.369 9.732 -9.758 1.00 0.00 C ATOM 1704 C TRP A 109 0.623 10.378 -10.920 1.00 0.00 C ATOM 1705 O TRP A 109 -0.262 11.208 -10.715 1.00 0.00 O ATOM 1706 CB TRP A 109 2.866 10.029 -9.869 1.00 0.00 C ATOM 1707 CG TRP A 109 3.221 11.437 -9.495 1.00 0.00 C ATOM 1708 CD1 TRP A 109 3.083 12.019 -8.268 1.00 0.00 C ATOM 1709 CD2 TRP A 109 3.771 12.439 -10.357 1.00 0.00 C ATOM 1710 NE1 TRP A 109 3.514 13.323 -8.314 1.00 0.00 N ATOM 1711 CE2 TRP A 109 3.941 13.605 -9.585 1.00 0.00 C ATOM 1712 CE3 TRP A 109 4.137 12.465 -11.705 1.00 0.00 C ATOM 1713 CZ2 TRP A 109 4.461 14.781 -10.118 1.00 0.00 C ATOM 1714 CZ3 TRP A 109 4.653 13.633 -12.233 1.00 0.00 C ATOM 1715 CH2 TRP A 109 4.812 14.778 -11.441 1.00 0.00 C ATOM 0 H TRP A 109 1.985 7.733 -9.604 1.00 0.00 H new ATOM 0 HA TRP A 109 0.989 10.154 -8.828 1.00 0.00 H new ATOM 0 HB2 TRP A 109 3.415 9.340 -9.226 1.00 0.00 H new ATOM 0 HB3 TRP A 109 3.192 9.839 -10.892 1.00 0.00 H new ATOM 0 HD1 TRP A 109 2.692 11.527 -7.390 1.00 0.00 H new ATOM 0 HE1 TRP A 109 3.516 13.975 -7.530 1.00 0.00 H new ATOM 0 HE3 TRP A 109 4.019 11.588 -12.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 4.583 15.665 -9.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 4.939 13.664 -13.274 1.00 0.00 H new ATOM 0 HH2 TRP A 109 5.219 15.675 -11.883 1.00 0.00 H new ATOM 1726 N GLU A 110 0.986 9.992 -12.139 1.00 0.00 N ATOM 1727 CA GLU A 110 0.350 10.535 -13.333 1.00 0.00 C ATOM 1728 C GLU A 110 -0.970 9.825 -13.618 1.00 0.00 C ATOM 1729 O GLU A 110 -1.710 10.206 -14.524 1.00 0.00 O ATOM 1730 CB GLU A 110 1.282 10.405 -14.539 1.00 0.00 C ATOM 1731 CG GLU A 110 2.192 11.606 -14.738 1.00 0.00 C ATOM 1732 CD GLU A 110 2.610 11.788 -16.184 1.00 0.00 C ATOM 1733 OE1 GLU A 110 3.575 11.119 -16.611 1.00 0.00 O ATOM 1734 OE2 GLU A 110 1.974 12.599 -16.888 1.00 0.00 O ATOM 0 H GLU A 110 1.717 9.305 -12.325 1.00 0.00 H new ATOM 0 HA GLU A 110 0.144 11.590 -13.154 1.00 0.00 H new ATOM 0 HB2 GLU A 110 1.895 9.512 -14.419 1.00 0.00 H new ATOM 0 HB3 GLU A 110 0.682 10.262 -15.438 1.00 0.00 H new ATOM 0 HG2 GLU A 110 1.680 12.505 -14.396 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.081 11.490 -14.119 1.00 0.00 H new ATOM 1741 N GLY A 111 -1.258 8.788 -12.837 1.00 0.00 N ATOM 1742 CA GLY A 111 -2.487 8.039 -13.020 1.00 0.00 C ATOM 1743 C GLY A 111 -2.579 7.403 -14.393 1.00 0.00 C ATOM 1744 O GLY A 111 -3.673 7.209 -14.924 1.00 0.00 O ATOM 0 H GLY A 111 -0.661 8.453 -12.080 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -2.552 7.262 -12.258 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -3.339 8.703 -12.873 1.00 0.00 H new ATOM 1748 N LYS A 112 -1.428 7.078 -14.971 1.00 0.00 N ATOM 1749 CA LYS A 112 -1.381 6.460 -16.291 1.00 0.00 C ATOM 1750 C LYS A 112 -2.257 5.212 -16.339 1.00 0.00 C ATOM 1751 O LYS A 112 -3.193 5.129 -17.133 1.00 0.00 O ATOM 1752 CB LYS A 112 0.060 6.098 -16.657 1.00 0.00 C ATOM 1753 CG LYS A 112 0.893 7.290 -17.097 1.00 0.00 C ATOM 1754 CD LYS A 112 2.059 6.862 -17.972 1.00 0.00 C ATOM 1755 CE LYS A 112 3.210 6.315 -17.141 1.00 0.00 C ATOM 1756 NZ LYS A 112 3.066 4.855 -16.888 1.00 0.00 N ATOM 0 H LYS A 112 -0.514 7.232 -14.546 1.00 0.00 H new ATOM 0 HA LYS A 112 -1.763 7.180 -17.015 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.538 5.629 -15.797 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.048 5.358 -17.457 1.00 0.00 H new ATOM 0 HG2 LYS A 112 0.264 7.992 -17.645 1.00 0.00 H new ATOM 0 HG3 LYS A 112 1.269 7.816 -16.220 1.00 0.00 H new ATOM 0 HD2 LYS A 112 1.725 6.101 -18.678 1.00 0.00 H new ATOM 0 HD3 LYS A 112 2.405 7.712 -18.560 1.00 0.00 H new ATOM 0 HE2 LYS A 112 4.152 6.503 -17.657 1.00 0.00 H new ATOM 0 HE3 LYS A 112 3.256 6.846 -16.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 4.008 4.427 -16.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 2.517 4.706 -16.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 2.573 4.411 -17.689 1.00 0.00 H new ATOM 1770 N ASN A 113 -1.948 4.244 -15.482 1.00 0.00 N ATOM 1771 CA ASN A 113 -2.708 3.001 -15.426 1.00 0.00 C ATOM 1772 C ASN A 113 -3.220 2.739 -14.013 1.00 0.00 C ATOM 1773 O ASN A 113 -2.535 2.122 -13.198 1.00 0.00 O ATOM 1774 CB ASN A 113 -1.843 1.828 -15.892 1.00 0.00 C ATOM 1775 CG ASN A 113 -2.671 0.628 -16.309 1.00 0.00 C ATOM 1776 OD1 ASN A 113 -3.780 0.774 -16.823 1.00 0.00 O ATOM 1777 ND2 ASN A 113 -2.134 -0.566 -16.088 1.00 0.00 N ATOM 0 H ASN A 113 -1.176 4.297 -14.817 1.00 0.00 H new ATOM 0 HA ASN A 113 -3.565 3.099 -16.092 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -1.224 2.147 -16.730 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -1.166 1.537 -15.088 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -2.644 -1.410 -16.347 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -1.211 -0.639 -15.659 1.00 0.00 H new ATOM 1784 N MET A 114 -4.430 3.212 -13.731 1.00 0.00 N ATOM 1785 CA MET A 114 -5.035 3.028 -12.417 1.00 0.00 C ATOM 1786 C MET A 114 -5.553 1.603 -12.253 1.00 0.00 C ATOM 1787 O MET A 114 -6.685 1.391 -11.817 1.00 0.00 O ATOM 1788 CB MET A 114 -6.177 4.025 -12.214 1.00 0.00 C ATOM 1789 CG MET A 114 -6.725 4.040 -10.796 1.00 0.00 C ATOM 1790 SD MET A 114 -5.877 5.226 -9.735 1.00 0.00 S ATOM 1791 CE MET A 114 -5.648 4.250 -8.251 1.00 0.00 C ATOM 0 H MET A 114 -5.010 3.725 -14.395 1.00 0.00 H new ATOM 0 HA MET A 114 -4.269 3.206 -11.663 1.00 0.00 H new ATOM 0 HB2 MET A 114 -5.826 5.025 -12.470 1.00 0.00 H new ATOM 0 HB3 MET A 114 -6.985 3.785 -12.905 1.00 0.00 H new ATOM 0 HG2 MET A 114 -7.788 4.279 -10.824 1.00 0.00 H new ATOM 0 HG3 MET A 114 -6.634 3.043 -10.365 1.00 0.00 H new ATOM 0 HE1 MET A 114 -4.890 4.717 -7.622 1.00 0.00 H new ATOM 0 HE2 MET A 114 -6.589 4.193 -7.704 1.00 0.00 H new ATOM 0 HE3 MET A 114 -5.325 3.245 -8.523 1.00 0.00 H new ATOM 1801 N ALA A 115 -4.719 0.630 -12.604 1.00 0.00 N ATOM 1802 CA ALA A 115 -5.093 -0.774 -12.494 1.00 0.00 C ATOM 1803 C ALA A 115 -3.980 -1.589 -11.843 1.00 0.00 C ATOM 1804 O ALA A 115 -4.121 -2.795 -11.636 1.00 0.00 O ATOM 1805 CB ALA A 115 -5.431 -1.340 -13.865 1.00 0.00 C ATOM 0 H ALA A 115 -3.779 0.789 -12.967 1.00 0.00 H new ATOM 0 HA ALA A 115 -5.976 -0.840 -11.858 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -5.708 -2.390 -13.767 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -6.264 -0.783 -14.293 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -4.563 -1.254 -14.518 1.00 0.00 H new ATOM 1811 N CYS A 116 -2.876 -0.924 -11.523 1.00 0.00 N ATOM 1812 CA CYS A 116 -1.738 -1.587 -10.896 1.00 0.00 C ATOM 1813 C CYS A 116 -1.690 -1.289 -9.401 1.00 0.00 C ATOM 1814 O CYS A 116 -1.534 -2.195 -8.582 1.00 0.00 O ATOM 1815 CB CYS A 116 -0.434 -1.143 -11.560 1.00 0.00 C ATOM 1816 SG CYS A 116 0.049 -2.145 -12.985 1.00 0.00 S ATOM 0 H CYS A 116 -2.744 0.074 -11.687 1.00 0.00 H new ATOM 0 HA CYS A 116 -1.857 -2.662 -11.029 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -0.536 -0.105 -11.877 1.00 0.00 H new ATOM 0 HB3 CYS A 116 0.366 -1.173 -10.820 1.00 0.00 H new ATOM 0 HG CYS A 116 1.162 -1.690 -13.478 1.00 0.00 H new ATOM 1822 N VAL A 117 -1.824 -0.013 -9.053 1.00 0.00 N ATOM 1823 CA VAL A 117 -1.795 0.405 -7.657 1.00 0.00 C ATOM 1824 C VAL A 117 -2.961 -0.195 -6.879 1.00 0.00 C ATOM 1825 O VAL A 117 -2.834 -0.511 -5.697 1.00 0.00 O ATOM 1826 CB VAL A 117 -1.842 1.939 -7.529 1.00 0.00 C ATOM 1827 CG1 VAL A 117 -2.852 2.525 -8.504 1.00 0.00 C ATOM 1828 CG2 VAL A 117 -2.171 2.344 -6.100 1.00 0.00 C ATOM 0 H VAL A 117 -1.954 0.749 -9.719 1.00 0.00 H new ATOM 0 HA VAL A 117 -0.857 0.042 -7.238 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.859 2.338 -7.778 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -2.872 3.610 -8.399 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -2.568 2.264 -9.523 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -3.842 2.122 -8.289 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -2.200 3.431 -6.027 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -3.142 1.936 -5.820 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.407 1.956 -5.427 1.00 0.00 H new ATOM 1838 N GLN A 118 -4.097 -0.349 -7.552 1.00 0.00 N ATOM 1839 CA GLN A 118 -5.287 -0.911 -6.924 1.00 0.00 C ATOM 1840 C GLN A 118 -4.994 -2.289 -6.340 1.00 0.00 C ATOM 1841 O GLN A 118 -5.141 -2.508 -5.137 1.00 0.00 O ATOM 1842 CB GLN A 118 -6.428 -1.006 -7.937 1.00 0.00 C ATOM 1843 CG GLN A 118 -7.369 -2.174 -7.687 1.00 0.00 C ATOM 1844 CD GLN A 118 -8.189 -2.002 -6.424 1.00 0.00 C ATOM 1845 OE1 GLN A 118 -8.069 -2.785 -5.481 1.00 0.00 O ATOM 1846 NE2 GLN A 118 -9.029 -0.974 -6.398 1.00 0.00 N ATOM 0 H GLN A 118 -4.218 -0.093 -8.532 1.00 0.00 H new ATOM 0 HA GLN A 118 -5.586 -0.248 -6.112 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -7.000 -0.078 -7.915 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -6.007 -1.097 -8.938 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -8.040 -2.284 -8.539 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -6.789 -3.094 -7.617 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -9.096 -0.350 -7.202 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -9.607 -0.808 -5.574 1.00 0.00 H new ATOM 1855 N ARG A 119 -4.580 -3.215 -7.199 1.00 0.00 N ATOM 1856 CA ARG A 119 -4.269 -4.573 -6.768 1.00 0.00 C ATOM 1857 C ARG A 119 -3.120 -4.574 -5.764 1.00 0.00 C ATOM 1858 O ARG A 119 -3.112 -5.357 -4.813 1.00 0.00 O ATOM 1859 CB ARG A 119 -3.908 -5.443 -7.973 1.00 0.00 C ATOM 1860 CG ARG A 119 -3.509 -6.862 -7.602 1.00 0.00 C ATOM 1861 CD ARG A 119 -2.849 -7.578 -8.770 1.00 0.00 C ATOM 1862 NE ARG A 119 -3.828 -8.045 -9.749 1.00 0.00 N ATOM 1863 CZ ARG A 119 -4.668 -9.049 -9.527 1.00 0.00 C ATOM 1864 NH1 ARG A 119 -4.650 -9.688 -8.365 1.00 0.00 N ATOM 1865 NH2 ARG A 119 -5.530 -9.415 -10.467 1.00 0.00 N ATOM 0 H ARG A 119 -4.452 -3.050 -8.197 1.00 0.00 H new ATOM 0 HA ARG A 119 -5.154 -4.985 -6.283 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.760 -5.480 -8.652 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -3.088 -4.974 -8.516 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -2.824 -6.839 -6.754 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -4.391 -7.418 -7.284 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -2.143 -6.905 -9.256 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -2.275 -8.427 -8.398 1.00 0.00 H new ATOM 0 HE ARG A 119 -3.868 -7.574 -10.653 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -3.990 -9.408 -7.639 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -5.296 -10.459 -8.197 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -5.548 -8.925 -11.361 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -6.175 -10.186 -10.295 1.00 0.00 H new ATOM 1879 N THR A 120 -2.149 -3.692 -5.982 1.00 0.00 N ATOM 1880 CA THR A 120 -0.994 -3.592 -5.098 1.00 0.00 C ATOM 1881 C THR A 120 -1.426 -3.420 -3.646 1.00 0.00 C ATOM 1882 O THR A 120 -1.057 -4.213 -2.780 1.00 0.00 O ATOM 1883 CB THR A 120 -0.083 -2.415 -5.494 1.00 0.00 C ATOM 1884 OG1 THR A 120 0.647 -2.739 -6.682 1.00 0.00 O ATOM 1885 CG2 THR A 120 0.887 -2.080 -4.372 1.00 0.00 C ATOM 0 H THR A 120 -2.140 -3.037 -6.763 1.00 0.00 H new ATOM 0 HA THR A 120 -0.437 -4.523 -5.200 1.00 0.00 H new ATOM 0 HB THR A 120 -0.712 -1.544 -5.681 1.00 0.00 H new ATOM 0 HG1 THR A 120 0.069 -2.618 -7.464 1.00 0.00 H new ATOM 0 HG21 THR A 120 1.520 -1.246 -4.675 1.00 0.00 H new ATOM 0 HG22 THR A 120 0.328 -1.805 -3.478 1.00 0.00 H new ATOM 0 HG23 THR A 120 1.510 -2.949 -4.158 1.00 0.00 H new ATOM 1893 N LEU A 121 -2.210 -2.379 -3.387 1.00 0.00 N ATOM 1894 CA LEU A 121 -2.694 -2.102 -2.039 1.00 0.00 C ATOM 1895 C LEU A 121 -3.339 -3.342 -1.427 1.00 0.00 C ATOM 1896 O LEU A 121 -3.005 -3.740 -0.312 1.00 0.00 O ATOM 1897 CB LEU A 121 -3.699 -0.949 -2.063 1.00 0.00 C ATOM 1898 CG LEU A 121 -3.176 0.386 -2.595 1.00 0.00 C ATOM 1899 CD1 LEU A 121 -4.205 1.485 -2.381 1.00 0.00 C ATOM 1900 CD2 LEU A 121 -1.859 0.748 -1.925 1.00 0.00 C ATOM 0 H LEU A 121 -2.524 -1.713 -4.093 1.00 0.00 H new ATOM 0 HA LEU A 121 -1.840 -1.818 -1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.553 -1.250 -2.670 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -4.068 -0.794 -1.049 1.00 0.00 H new ATOM 0 HG LEU A 121 -3.000 0.285 -3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -3.816 2.428 -2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -5.124 1.230 -2.908 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -4.413 1.586 -1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -1.502 1.701 -2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -2.009 0.831 -0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -1.121 -0.028 -2.130 1.00 0.00 H new ATOM 1912 N MET A 122 -4.263 -3.947 -2.166 1.00 0.00 N ATOM 1913 CA MET A 122 -4.952 -5.144 -1.696 1.00 0.00 C ATOM 1914 C MET A 122 -3.965 -6.140 -1.096 1.00 0.00 C ATOM 1915 O MET A 122 -4.079 -6.515 0.070 1.00 0.00 O ATOM 1916 CB MET A 122 -5.721 -5.799 -2.845 1.00 0.00 C ATOM 1917 CG MET A 122 -7.040 -5.114 -3.162 1.00 0.00 C ATOM 1918 SD MET A 122 -8.129 -5.007 -1.729 1.00 0.00 S ATOM 1919 CE MET A 122 -8.899 -6.624 -1.768 1.00 0.00 C ATOM 0 H MET A 122 -4.552 -3.629 -3.091 1.00 0.00 H new ATOM 0 HA MET A 122 -5.657 -4.846 -0.919 1.00 0.00 H new ATOM 0 HB2 MET A 122 -5.096 -5.796 -3.738 1.00 0.00 H new ATOM 0 HB3 MET A 122 -5.914 -6.842 -2.594 1.00 0.00 H new ATOM 0 HG2 MET A 122 -6.842 -4.111 -3.539 1.00 0.00 H new ATOM 0 HG3 MET A 122 -7.546 -5.660 -3.958 1.00 0.00 H new ATOM 0 HE1 MET A 122 -9.966 -6.523 -1.572 1.00 0.00 H new ATOM 0 HE2 MET A 122 -8.751 -7.074 -2.750 1.00 0.00 H new ATOM 0 HE3 MET A 122 -8.448 -7.260 -1.006 1.00 0.00 H new ATOM 1929 N ASN A 123 -2.996 -6.564 -1.901 1.00 0.00 N ATOM 1930 CA ASN A 123 -1.989 -7.517 -1.449 1.00 0.00 C ATOM 1931 C ASN A 123 -1.525 -7.188 -0.034 1.00 0.00 C ATOM 1932 O ASN A 123 -1.457 -8.064 0.829 1.00 0.00 O ATOM 1933 CB ASN A 123 -0.793 -7.518 -2.403 1.00 0.00 C ATOM 1934 CG ASN A 123 -1.018 -8.405 -3.612 1.00 0.00 C ATOM 1935 OD1 ASN A 123 -1.204 -9.615 -3.482 1.00 0.00 O ATOM 1936 ND2 ASN A 123 -1.003 -7.805 -4.797 1.00 0.00 N ATOM 0 H ASN A 123 -2.887 -6.263 -2.869 1.00 0.00 H new ATOM 0 HA ASN A 123 -2.441 -8.509 -1.442 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -0.596 -6.499 -2.735 1.00 0.00 H new ATOM 0 HB3 ASN A 123 0.095 -7.856 -1.868 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -1.149 -8.350 -5.647 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -0.845 -6.799 -4.857 1.00 0.00 H new ATOM 1943 N LEU A 124 -1.206 -5.919 0.198 1.00 0.00 N ATOM 1944 CA LEU A 124 -0.749 -5.473 1.510 1.00 0.00 C ATOM 1945 C LEU A 124 -1.702 -5.937 2.606 1.00 0.00 C ATOM 1946 O LEU A 124 -1.275 -6.483 3.623 1.00 0.00 O ATOM 1947 CB LEU A 124 -0.626 -3.948 1.537 1.00 0.00 C ATOM 1948 CG LEU A 124 0.068 -3.352 2.762 1.00 0.00 C ATOM 1949 CD1 LEU A 124 1.572 -3.564 2.679 1.00 0.00 C ATOM 1950 CD2 LEU A 124 -0.258 -1.872 2.892 1.00 0.00 C ATOM 0 H LEU A 124 -1.255 -5.181 -0.505 1.00 0.00 H new ATOM 0 HA LEU A 124 0.230 -5.914 1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.083 -3.632 0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.627 -3.522 1.468 1.00 0.00 H new ATOM 0 HG LEU A 124 -0.302 -3.864 3.650 1.00 0.00 H new ATOM 0 HD11 LEU A 124 2.049 -3.133 3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 124 1.787 -4.632 2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.959 -3.079 1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.244 -1.464 3.769 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.083 -1.345 2.001 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -1.335 -1.745 2.999 1.00 0.00 H new ATOM 1962 N GLY A 125 -2.995 -5.718 2.391 1.00 0.00 N ATOM 1963 CA GLY A 125 -3.989 -6.123 3.369 1.00 0.00 C ATOM 1964 C GLY A 125 -4.044 -7.626 3.552 1.00 0.00 C ATOM 1965 O GLY A 125 -3.888 -8.129 4.664 1.00 0.00 O ATOM 0 H GLY A 125 -3.373 -5.267 1.557 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -3.765 -5.652 4.326 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -4.969 -5.762 3.057 1.00 0.00 H new ATOM 1969 N GLY A 126 -4.268 -8.347 2.457 1.00 0.00 N ATOM 1970 CA GLY A 126 -4.341 -9.795 2.524 1.00 0.00 C ATOM 1971 C GLY A 126 -3.152 -10.403 3.242 1.00 0.00 C ATOM 1972 O GLY A 126 -3.284 -11.417 3.928 1.00 0.00 O ATOM 0 H GLY A 126 -4.400 -7.954 1.525 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -5.258 -10.086 3.036 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.397 -10.200 1.514 1.00 0.00 H new ATOM 1976 N LEU A 127 -1.987 -9.784 3.083 1.00 0.00 N ATOM 1977 CA LEU A 127 -0.769 -10.271 3.721 1.00 0.00 C ATOM 1978 C LEU A 127 -0.827 -10.070 5.231 1.00 0.00 C ATOM 1979 O LEU A 127 -0.575 -10.996 6.001 1.00 0.00 O ATOM 1980 CB LEU A 127 0.453 -9.553 3.145 1.00 0.00 C ATOM 1981 CG LEU A 127 0.905 -10.006 1.757 1.00 0.00 C ATOM 1982 CD1 LEU A 127 1.712 -8.911 1.075 1.00 0.00 C ATOM 1983 CD2 LEU A 127 1.718 -11.289 1.852 1.00 0.00 C ATOM 0 H LEU A 127 -1.860 -8.944 2.518 1.00 0.00 H new ATOM 0 HA LEU A 127 -0.684 -11.339 3.519 1.00 0.00 H new ATOM 0 HB2 LEU A 127 0.236 -8.486 3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 127 1.285 -9.683 3.837 1.00 0.00 H new ATOM 0 HG LEU A 127 0.019 -10.205 1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 127 2.025 -9.251 0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 127 1.098 -8.017 0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 127 2.592 -8.680 1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 127 2.031 -11.596 0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 127 2.598 -11.117 2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 127 1.108 -12.074 2.299 1.00 0.00 H new ATOM 1995 N ALA A 128 -1.163 -8.853 5.649 1.00 0.00 N ATOM 1996 CA ALA A 128 -1.259 -8.531 7.067 1.00 0.00 C ATOM 1997 C ALA A 128 -2.138 -9.539 7.801 1.00 0.00 C ATOM 1998 O ALA A 128 -1.763 -10.054 8.854 1.00 0.00 O ATOM 1999 CB ALA A 128 -1.800 -7.122 7.253 1.00 0.00 C ATOM 0 H ALA A 128 -1.373 -8.074 5.025 1.00 0.00 H new ATOM 0 HA ALA A 128 -0.258 -8.583 7.494 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -1.866 -6.895 8.317 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.131 -6.409 6.771 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -2.791 -7.051 6.804 1.00 0.00 H new ATOM 2005 N VAL A 129 -3.310 -9.815 7.238 1.00 0.00 N ATOM 2006 CA VAL A 129 -4.242 -10.761 7.838 1.00 0.00 C ATOM 2007 C VAL A 129 -3.613 -12.143 7.972 1.00 0.00 C ATOM 2008 O VAL A 129 -4.120 -13.000 8.695 1.00 0.00 O ATOM 2009 CB VAL A 129 -5.536 -10.876 7.011 1.00 0.00 C ATOM 2010 CG1 VAL A 129 -6.526 -11.808 7.693 1.00 0.00 C ATOM 2011 CG2 VAL A 129 -6.151 -9.502 6.790 1.00 0.00 C ATOM 0 H VAL A 129 -3.636 -9.396 6.367 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.486 -10.379 8.829 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.287 -11.299 6.038 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -7.434 -11.876 7.094 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -6.083 -12.799 7.794 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -6.772 -11.418 8.681 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -7.064 -9.602 6.204 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -6.386 -9.049 7.753 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -5.444 -8.869 6.254 1.00 0.00 H new ATOM 2021 N ALA A 130 -2.505 -12.353 7.269 1.00 0.00 N ATOM 2022 CA ALA A 130 -1.804 -13.631 7.311 1.00 0.00 C ATOM 2023 C ALA A 130 -0.631 -13.582 8.284 1.00 0.00 C ATOM 2024 O ALA A 130 0.218 -14.473 8.292 1.00 0.00 O ATOM 2025 CB ALA A 130 -1.323 -14.015 5.919 1.00 0.00 C ATOM 0 H ALA A 130 -2.073 -11.655 6.664 1.00 0.00 H new ATOM 0 HA ALA A 130 -2.503 -14.389 7.664 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -0.801 -14.971 5.965 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -2.179 -14.100 5.249 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -0.644 -13.249 5.544 1.00 0.00 H new ATOM 2031 N ARG A 131 -0.589 -12.535 9.101 1.00 0.00 N ATOM 2032 CA ARG A 131 0.482 -12.369 10.076 1.00 0.00 C ATOM 2033 C ARG A 131 -0.048 -12.532 11.498 1.00 0.00 C ATOM 2034 O ARG A 131 -1.244 -12.734 11.706 1.00 0.00 O ATOM 2035 CB ARG A 131 1.136 -10.995 9.919 1.00 0.00 C ATOM 2036 CG ARG A 131 1.387 -10.603 8.472 1.00 0.00 C ATOM 2037 CD ARG A 131 2.760 -11.055 8.002 1.00 0.00 C ATOM 2038 NE ARG A 131 2.907 -12.507 8.057 1.00 0.00 N ATOM 2039 CZ ARG A 131 2.355 -13.335 7.176 1.00 0.00 C ATOM 2040 NH1 ARG A 131 1.625 -12.857 6.178 1.00 0.00 N ATOM 2041 NH2 ARG A 131 2.534 -14.645 7.293 1.00 0.00 N ATOM 0 H ARG A 131 -1.284 -11.789 9.107 1.00 0.00 H new ATOM 0 HA ARG A 131 1.229 -13.142 9.893 1.00 0.00 H new ATOM 0 HB2 ARG A 131 0.499 -10.243 10.385 1.00 0.00 H new ATOM 0 HB3 ARG A 131 2.083 -10.989 10.458 1.00 0.00 H new ATOM 0 HG2 ARG A 131 0.620 -11.045 7.836 1.00 0.00 H new ATOM 0 HG3 ARG A 131 1.303 -9.521 8.367 1.00 0.00 H new ATOM 0 HD2 ARG A 131 2.924 -10.713 6.980 1.00 0.00 H new ATOM 0 HD3 ARG A 131 3.527 -10.589 8.621 1.00 0.00 H new ATOM 0 HE ARG A 131 3.463 -12.907 8.812 1.00 0.00 H new ATOM 0 HH11 ARG A 131 1.486 -11.851 6.084 1.00 0.00 H new ATOM 0 HH12 ARG A 131 1.203 -13.495 5.504 1.00 0.00 H new ATOM 0 HH21 ARG A 131 3.095 -15.017 8.059 1.00 0.00 H new ATOM 0 HH22 ARG A 131 2.110 -15.280 6.617 1.00 0.00 H new ATOM 2055 N ASP A 132 0.851 -12.443 12.472 1.00 0.00 N ATOM 2056 CA ASP A 132 0.475 -12.579 13.875 1.00 0.00 C ATOM 2057 C ASP A 132 0.813 -11.312 14.654 1.00 0.00 C ATOM 2058 O ASP A 132 0.692 -11.274 15.879 1.00 0.00 O ATOM 2059 CB ASP A 132 1.183 -13.782 14.500 1.00 0.00 C ATOM 2060 CG ASP A 132 1.006 -15.047 13.683 1.00 0.00 C ATOM 2061 OD1 ASP A 132 1.510 -15.092 12.541 1.00 0.00 O ATOM 2062 OD2 ASP A 132 0.363 -15.992 14.186 1.00 0.00 O ATOM 0 H ASP A 132 1.845 -12.277 12.316 1.00 0.00 H new ATOM 0 HA ASP A 132 -0.603 -12.736 13.923 1.00 0.00 H new ATOM 0 HB2 ASP A 132 2.246 -13.563 14.599 1.00 0.00 H new ATOM 0 HB3 ASP A 132 0.796 -13.945 15.506 1.00 0.00 H new ATOM 2067 N ASP A 133 1.239 -10.279 13.937 1.00 0.00 N ATOM 2068 CA ASP A 133 1.595 -9.010 14.561 1.00 0.00 C ATOM 2069 C ASP A 133 0.446 -8.482 15.414 1.00 0.00 C ATOM 2070 O ASP A 133 0.664 -7.800 16.414 1.00 0.00 O ATOM 2071 CB ASP A 133 1.970 -7.980 13.494 1.00 0.00 C ATOM 2072 CG ASP A 133 3.389 -8.156 12.993 1.00 0.00 C ATOM 2073 OD1 ASP A 133 4.317 -8.165 13.829 1.00 0.00 O ATOM 2074 OD2 ASP A 133 3.573 -8.285 11.765 1.00 0.00 O ATOM 0 H ASP A 133 1.346 -10.295 12.923 1.00 0.00 H new ATOM 0 HA ASP A 133 2.455 -9.181 15.208 1.00 0.00 H new ATOM 0 HB2 ASP A 133 1.279 -8.062 12.655 1.00 0.00 H new ATOM 0 HB3 ASP A 133 1.855 -6.977 13.905 1.00 0.00 H new ATOM 2079 N GLY A 134 -0.780 -8.802 15.010 1.00 0.00 N ATOM 2080 CA GLY A 134 -1.946 -8.351 15.748 1.00 0.00 C ATOM 2081 C GLY A 134 -2.068 -6.840 15.771 1.00 0.00 C ATOM 2082 O GLY A 134 -2.437 -6.256 16.791 1.00 0.00 O ATOM 0 H GLY A 134 -0.986 -9.365 14.185 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -2.843 -8.778 15.300 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -1.892 -8.724 16.771 1.00 0.00 H new ATOM 2086 N LEU A 135 -1.757 -6.206 14.647 1.00 0.00 N ATOM 2087 CA LEU A 135 -1.832 -4.752 14.543 1.00 0.00 C ATOM 2088 C LEU A 135 -2.852 -4.334 13.489 1.00 0.00 C ATOM 2089 O LEU A 135 -3.600 -3.375 13.680 1.00 0.00 O ATOM 2090 CB LEU A 135 -0.458 -4.174 14.197 1.00 0.00 C ATOM 2091 CG LEU A 135 0.701 -4.620 15.089 1.00 0.00 C ATOM 2092 CD1 LEU A 135 2.034 -4.257 14.453 1.00 0.00 C ATOM 2093 CD2 LEU A 135 0.580 -3.996 16.472 1.00 0.00 C ATOM 0 H LEU A 135 -1.450 -6.675 13.794 1.00 0.00 H new ATOM 0 HA LEU A 135 -2.152 -4.359 15.508 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -0.222 -4.442 13.167 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -0.523 -3.087 14.236 1.00 0.00 H new ATOM 0 HG LEU A 135 0.656 -5.704 15.196 1.00 0.00 H new ATOM 0 HD11 LEU A 135 2.847 -4.582 15.102 1.00 0.00 H new ATOM 0 HD12 LEU A 135 2.122 -4.751 13.485 1.00 0.00 H new ATOM 0 HD13 LEU A 135 2.089 -3.177 14.315 1.00 0.00 H new ATOM 0 HD21 LEU A 135 1.413 -4.324 17.093 1.00 0.00 H new ATOM 0 HD22 LEU A 135 0.599 -2.910 16.384 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -0.359 -4.306 16.930 1.00 0.00 H new ATOM 2105 N PHE A 136 -2.878 -5.061 12.377 1.00 0.00 N ATOM 2106 CA PHE A 136 -3.808 -4.766 11.292 1.00 0.00 C ATOM 2107 C PHE A 136 -5.156 -4.310 11.841 1.00 0.00 C ATOM 2108 O PHE A 136 -5.668 -4.874 12.808 1.00 0.00 O ATOM 2109 CB PHE A 136 -3.996 -5.998 10.405 1.00 0.00 C ATOM 2110 CG PHE A 136 -5.295 -6.001 9.650 1.00 0.00 C ATOM 2111 CD1 PHE A 136 -6.440 -6.537 10.218 1.00 0.00 C ATOM 2112 CD2 PHE A 136 -5.371 -5.467 8.374 1.00 0.00 C ATOM 2113 CE1 PHE A 136 -7.636 -6.541 9.526 1.00 0.00 C ATOM 2114 CE2 PHE A 136 -6.565 -5.468 7.677 1.00 0.00 C ATOM 2115 CZ PHE A 136 -7.699 -6.005 8.254 1.00 0.00 C ATOM 0 H PHE A 136 -2.266 -5.858 12.203 1.00 0.00 H new ATOM 0 HA PHE A 136 -3.387 -3.958 10.695 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -3.172 -6.053 9.694 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -3.943 -6.893 11.024 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -6.397 -6.956 11.212 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -4.487 -5.045 7.918 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -8.521 -6.963 9.979 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -6.611 -5.049 6.683 1.00 0.00 H new ATOM 0 HZ PHE A 136 -8.633 -6.006 7.712 1.00 0.00 H new ATOM 2125 N SER A 137 -5.726 -3.285 11.216 1.00 0.00 N ATOM 2126 CA SER A 137 -7.013 -2.749 11.644 1.00 0.00 C ATOM 2127 C SER A 137 -8.031 -2.811 10.509 1.00 0.00 C ATOM 2128 O SER A 137 -7.702 -3.185 9.385 1.00 0.00 O ATOM 2129 CB SER A 137 -6.854 -1.305 12.123 1.00 0.00 C ATOM 2130 OG SER A 137 -6.495 -1.259 13.493 1.00 0.00 O ATOM 0 H SER A 137 -5.317 -2.809 10.412 1.00 0.00 H new ATOM 0 HA SER A 137 -7.377 -3.360 12.470 1.00 0.00 H new ATOM 0 HB2 SER A 137 -6.092 -0.803 11.527 1.00 0.00 H new ATOM 0 HB3 SER A 137 -7.787 -0.763 11.970 1.00 0.00 H new ATOM 0 HG SER A 137 -6.398 -0.325 13.775 1.00 0.00 H new ATOM 2136 N GLY A 138 -9.272 -2.440 10.814 1.00 0.00 N ATOM 2137 CA GLY A 138 -10.320 -2.461 9.811 1.00 0.00 C ATOM 2138 C GLY A 138 -11.082 -3.771 9.795 1.00 0.00 C ATOM 2139 O GLY A 138 -11.420 -4.313 10.848 1.00 0.00 O ATOM 0 H GLY A 138 -9.569 -2.126 11.738 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -11.015 -1.643 9.999 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -9.881 -2.287 8.828 1.00 0.00 H new ATOM 2143 N ASP A 139 -11.354 -4.281 8.599 1.00 0.00 N ATOM 2144 CA ASP A 139 -12.082 -5.536 8.451 1.00 0.00 C ATOM 2145 C ASP A 139 -11.221 -6.584 7.752 1.00 0.00 C ATOM 2146 O ASP A 139 -10.714 -6.372 6.650 1.00 0.00 O ATOM 2147 CB ASP A 139 -13.374 -5.311 7.663 1.00 0.00 C ATOM 2148 CG ASP A 139 -13.996 -6.609 7.188 1.00 0.00 C ATOM 2149 OD1 ASP A 139 -13.844 -7.631 7.890 1.00 0.00 O ATOM 2150 OD2 ASP A 139 -14.634 -6.604 6.114 1.00 0.00 O ATOM 0 H ASP A 139 -11.081 -3.845 7.718 1.00 0.00 H new ATOM 0 HA ASP A 139 -12.332 -5.902 9.447 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -14.089 -4.776 8.288 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -13.165 -4.675 6.803 1.00 0.00 H new ATOM 2155 N PRO A 140 -11.051 -7.742 8.406 1.00 0.00 N ATOM 2156 CA PRO A 140 -10.251 -8.846 7.866 1.00 0.00 C ATOM 2157 C PRO A 140 -10.915 -9.509 6.665 1.00 0.00 C ATOM 2158 O PRO A 140 -10.245 -10.116 5.830 1.00 0.00 O ATOM 2159 CB PRO A 140 -10.163 -9.826 9.038 1.00 0.00 C ATOM 2160 CG PRO A 140 -11.369 -9.539 9.864 1.00 0.00 C ATOM 2161 CD PRO A 140 -11.625 -8.064 9.723 1.00 0.00 C ATOM 0 HA PRO A 140 -9.281 -8.507 7.502 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -10.158 -10.859 8.690 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -9.247 -9.678 9.610 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -12.225 -10.119 9.519 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -11.201 -9.808 10.907 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -12.690 -7.835 9.764 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -11.146 -7.495 10.520 1.00 0.00 H new ATOM 2169 N ASN A 141 -12.236 -9.389 6.583 1.00 0.00 N ATOM 2170 CA ASN A 141 -12.991 -9.978 5.483 1.00 0.00 C ATOM 2171 C ASN A 141 -12.576 -9.365 4.149 1.00 0.00 C ATOM 2172 O ASN A 141 -12.420 -10.071 3.153 1.00 0.00 O ATOM 2173 CB ASN A 141 -14.492 -9.780 5.703 1.00 0.00 C ATOM 2174 CG ASN A 141 -15.090 -10.845 6.602 1.00 0.00 C ATOM 2175 OD1 ASN A 141 -15.702 -11.802 6.126 1.00 0.00 O ATOM 2176 ND2 ASN A 141 -14.916 -10.684 7.908 1.00 0.00 N ATOM 0 H ASN A 141 -12.806 -8.889 7.265 1.00 0.00 H new ATOM 0 HA ASN A 141 -12.772 -11.046 5.456 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -14.666 -8.798 6.143 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -15.002 -9.793 4.740 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -15.296 -11.369 8.561 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -14.402 -9.876 8.258 1.00 0.00 H new ATOM 2183 N TRP A 142 -12.398 -8.049 4.139 1.00 0.00 N ATOM 2184 CA TRP A 142 -12.001 -7.341 2.928 1.00 0.00 C ATOM 2185 C TRP A 142 -10.925 -8.115 2.173 1.00 0.00 C ATOM 2186 O TRP A 142 -11.001 -8.274 0.955 1.00 0.00 O ATOM 2187 CB TRP A 142 -11.490 -5.941 3.275 1.00 0.00 C ATOM 2188 CG TRP A 142 -12.565 -5.025 3.778 1.00 0.00 C ATOM 2189 CD1 TRP A 142 -13.898 -5.091 3.491 1.00 0.00 C ATOM 2190 CD2 TRP A 142 -12.395 -3.906 4.655 1.00 0.00 C ATOM 2191 NE1 TRP A 142 -14.568 -4.079 4.137 1.00 0.00 N ATOM 2192 CE2 TRP A 142 -13.669 -3.339 4.857 1.00 0.00 C ATOM 2193 CE3 TRP A 142 -11.292 -3.328 5.289 1.00 0.00 C ATOM 2194 CZ2 TRP A 142 -13.866 -2.223 5.667 1.00 0.00 C ATOM 2195 CZ3 TRP A 142 -11.490 -2.221 6.092 1.00 0.00 C ATOM 2196 CH2 TRP A 142 -12.769 -1.678 6.275 1.00 0.00 C ATOM 0 H TRP A 142 -12.522 -7.451 4.956 1.00 0.00 H new ATOM 0 HA TRP A 142 -12.877 -7.252 2.286 1.00 0.00 H new ATOM 0 HB2 TRP A 142 -10.710 -6.024 4.031 1.00 0.00 H new ATOM 0 HB3 TRP A 142 -11.031 -5.500 2.390 1.00 0.00 H new ATOM 0 HD1 TRP A 142 -14.358 -5.829 2.851 1.00 0.00 H new ATOM 0 HE1 TRP A 142 -15.572 -3.907 4.088 1.00 0.00 H new ATOM 0 HE3 TRP A 142 -10.302 -3.739 5.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 142 -14.851 -1.803 5.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 142 -10.645 -1.766 6.587 1.00 0.00 H new ATOM 0 HH2 TRP A 142 -12.891 -0.812 6.909 1.00 0.00 H new ATOM 2207 N PHE A 143 -9.924 -8.594 2.904 1.00 0.00 N ATOM 2208 CA PHE A 143 -8.833 -9.351 2.303 1.00 0.00 C ATOM 2209 C PHE A 143 -8.838 -10.796 2.794 1.00 0.00 C ATOM 2210 O PHE A 143 -8.739 -11.072 3.989 1.00 0.00 O ATOM 2211 CB PHE A 143 -7.489 -8.695 2.627 1.00 0.00 C ATOM 2212 CG PHE A 143 -7.542 -7.194 2.637 1.00 0.00 C ATOM 2213 CD1 PHE A 143 -8.069 -6.514 3.723 1.00 0.00 C ATOM 2214 CD2 PHE A 143 -7.066 -6.463 1.561 1.00 0.00 C ATOM 2215 CE1 PHE A 143 -8.119 -5.132 3.736 1.00 0.00 C ATOM 2216 CE2 PHE A 143 -7.113 -5.082 1.568 1.00 0.00 C ATOM 2217 CZ PHE A 143 -7.641 -4.416 2.657 1.00 0.00 C ATOM 0 H PHE A 143 -9.846 -8.471 3.914 1.00 0.00 H new ATOM 0 HA PHE A 143 -8.978 -9.352 1.223 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -7.148 -9.045 3.601 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -6.749 -9.020 1.895 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -8.445 -7.070 4.569 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -6.653 -6.979 0.706 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -8.531 -4.614 4.589 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -6.737 -4.524 0.723 1.00 0.00 H new ATOM 0 HZ PHE A 143 -7.680 -3.337 2.664 1.00 0.00 H new ATOM 2227 N PRO A 144 -8.956 -11.741 1.849 1.00 0.00 N ATOM 2228 CA PRO A 144 -8.977 -13.173 2.160 1.00 0.00 C ATOM 2229 C PRO A 144 -7.621 -13.682 2.638 1.00 0.00 C ATOM 2230 O PRO A 144 -6.648 -12.931 2.692 1.00 0.00 O ATOM 2231 CB PRO A 144 -9.351 -13.821 0.825 1.00 0.00 C ATOM 2232 CG PRO A 144 -8.902 -12.846 -0.208 1.00 0.00 C ATOM 2233 CD PRO A 144 -9.078 -11.484 0.404 1.00 0.00 C ATOM 0 HA PRO A 144 -9.669 -13.404 2.970 1.00 0.00 H new ATOM 0 HB2 PRO A 144 -8.857 -14.785 0.701 1.00 0.00 H new ATOM 0 HB3 PRO A 144 -10.424 -14.001 0.759 1.00 0.00 H new ATOM 0 HG2 PRO A 144 -7.861 -13.019 -0.482 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -9.492 -12.944 -1.119 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -8.318 -10.785 0.055 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -10.047 -11.053 0.153 1.00 0.00 H new