USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 731 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 56 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.439 K(o=-0.44,f=-3!) USER MOD Single : A 31 SER OG : rot 90:sc= 0.0138 USER MOD Single : A 32 GLN : amide:sc= -0.038 X(o=-0.038,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 45 ASN : amide:sc= 0.937 K(o=0.94,f=-0.41) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.48 K(o=-0.48,f=-1.1) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.17 K(o=-0.17,f=-2.5) USER MOD Single : A 65 HIS : no HD1:sc= -0.0601 X(o=-0.06,f=-0.06) USER MOD Single : A 67 ASN : amide:sc= -0.114 K(o=-0.11,f=-0.92) USER MOD Single : A 68 ASN : amide:sc= -0.585 K(o=-0.58,f=-2.7!) USER MOD Single : A 72 GLN : amide:sc= 0.456 K(o=0.46,f=-2) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 74 LYS NZ :NH3+ 157:sc= 1.26 (180deg=1.1) USER MOD Single : A 80 SER OG : rot 67:sc= 1.2 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 179:sc= 1.33 (180deg=1.2) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.187 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 243 N LEU A 16 -0.382 11.565 -4.396 1.00 0.00 N ATOM 244 CA LEU A 16 0.508 11.043 -3.384 1.00 0.00 C ATOM 245 C LEU A 16 0.683 9.539 -3.590 1.00 0.00 C ATOM 246 O LEU A 16 1.801 9.032 -3.515 1.00 0.00 O ATOM 247 CB LEU A 16 -0.155 11.378 -2.041 1.00 0.00 C ATOM 248 CG LEU A 16 0.625 10.936 -0.805 1.00 0.00 C ATOM 249 CD1 LEU A 16 1.843 11.831 -0.609 1.00 0.00 C ATOM 250 CD2 LEU A 16 -0.302 11.049 0.406 1.00 0.00 C ATOM 0 HA LEU A 16 1.507 11.476 -3.427 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.309 12.456 -1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.141 10.914 -2.014 1.00 0.00 H new ATOM 0 HG LEU A 16 0.969 9.909 -0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.393 11.508 0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.489 11.762 -1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.519 12.863 -0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.233 10.738 1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.630 12.083 0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.171 10.407 0.260 1.00 0.00 H new ATOM 262 N ALA A 17 -0.412 8.827 -3.889 1.00 0.00 N ATOM 263 CA ALA A 17 -0.346 7.419 -4.231 1.00 0.00 C ATOM 264 C ALA A 17 0.531 7.221 -5.462 1.00 0.00 C ATOM 265 O ALA A 17 1.362 6.326 -5.455 1.00 0.00 O ATOM 266 CB ALA A 17 -1.738 6.839 -4.501 1.00 0.00 C ATOM 0 H ALA A 17 -1.355 9.216 -3.898 1.00 0.00 H new ATOM 0 HA ALA A 17 0.085 6.893 -3.379 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.649 5.783 -4.754 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.357 6.948 -3.610 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.200 7.373 -5.331 1.00 0.00 H new ATOM 272 N ALA A 18 0.354 8.038 -6.503 1.00 0.00 N ATOM 273 CA ALA A 18 1.065 7.901 -7.769 1.00 0.00 C ATOM 274 C ALA A 18 2.573 8.105 -7.588 1.00 0.00 C ATOM 275 O ALA A 18 3.364 7.417 -8.234 1.00 0.00 O ATOM 276 CB ALA A 18 0.491 8.867 -8.807 1.00 0.00 C ATOM 0 H ALA A 18 -0.297 8.823 -6.486 1.00 0.00 H new ATOM 0 HA ALA A 18 0.921 6.884 -8.133 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.031 8.754 -9.747 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.564 8.645 -8.966 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.597 9.891 -8.449 1.00 0.00 H new ATOM 282 N GLU A 19 2.970 9.017 -6.697 1.00 0.00 N ATOM 283 CA GLU A 19 4.366 9.232 -6.329 1.00 0.00 C ATOM 284 C GLU A 19 4.928 7.961 -5.685 1.00 0.00 C ATOM 285 O GLU A 19 5.985 7.470 -6.078 1.00 0.00 O ATOM 286 CB GLU A 19 4.480 10.422 -5.359 1.00 0.00 C ATOM 287 CG GLU A 19 4.151 11.785 -5.984 1.00 0.00 C ATOM 288 CD GLU A 19 5.138 12.155 -7.083 1.00 0.00 C ATOM 289 OE1 GLU A 19 6.306 12.472 -6.764 1.00 0.00 O ATOM 290 OE2 GLU A 19 4.769 12.096 -8.279 1.00 0.00 O ATOM 0 H GLU A 19 2.321 9.633 -6.207 1.00 0.00 H new ATOM 0 HA GLU A 19 4.944 9.461 -7.224 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.811 10.252 -4.515 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.494 10.454 -4.961 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.141 11.763 -6.394 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.164 12.553 -5.210 1.00 0.00 H new ATOM 297 N ALA A 20 4.216 7.401 -4.705 1.00 0.00 N ATOM 298 CA ALA A 20 4.624 6.187 -4.021 1.00 0.00 C ATOM 299 C ALA A 20 4.644 4.974 -4.956 1.00 0.00 C ATOM 300 O ALA A 20 5.537 4.138 -4.853 1.00 0.00 O ATOM 301 CB ALA A 20 3.656 5.964 -2.858 1.00 0.00 C ATOM 0 H ALA A 20 3.334 7.786 -4.366 1.00 0.00 H new ATOM 0 HA ALA A 20 5.645 6.302 -3.657 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.935 5.057 -2.321 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.701 6.816 -2.179 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.642 5.860 -3.244 1.00 0.00 H new ATOM 307 N ILE A 21 3.679 4.882 -5.870 1.00 0.00 N ATOM 308 CA ILE A 21 3.530 3.844 -6.884 1.00 0.00 C ATOM 309 C ILE A 21 4.743 3.830 -7.809 1.00 0.00 C ATOM 310 O ILE A 21 5.157 2.756 -8.245 1.00 0.00 O ATOM 311 CB ILE A 21 2.193 4.090 -7.636 1.00 0.00 C ATOM 312 CG1 ILE A 21 1.044 3.458 -6.823 1.00 0.00 C ATOM 313 CG2 ILE A 21 2.173 3.617 -9.098 1.00 0.00 C ATOM 314 CD1 ILE A 21 -0.355 3.910 -7.252 1.00 0.00 C ATOM 0 H ILE A 21 2.934 5.576 -5.924 1.00 0.00 H new ATOM 0 HA ILE A 21 3.488 2.854 -6.429 1.00 0.00 H new ATOM 0 HB ILE A 21 2.066 5.170 -7.710 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.106 2.373 -6.912 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.184 3.700 -5.770 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.199 3.832 -9.537 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.947 4.139 -9.660 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.359 2.544 -9.136 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.103 3.418 -6.630 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.440 4.990 -7.136 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.519 3.643 -8.296 1.00 0.00 H new ATOM 326 N GLU A 22 5.339 4.984 -8.116 1.00 0.00 N ATOM 327 CA GLU A 22 6.526 5.008 -8.960 1.00 0.00 C ATOM 328 C GLU A 22 7.677 4.254 -8.277 1.00 0.00 C ATOM 329 O GLU A 22 8.493 3.634 -8.965 1.00 0.00 O ATOM 330 CB GLU A 22 6.876 6.460 -9.318 1.00 0.00 C ATOM 331 CG GLU A 22 8.102 6.603 -10.232 1.00 0.00 C ATOM 332 CD GLU A 22 7.947 6.032 -11.650 1.00 0.00 C ATOM 333 OE1 GLU A 22 6.887 5.464 -12.018 1.00 0.00 O ATOM 334 OE2 GLU A 22 8.904 6.203 -12.443 1.00 0.00 O ATOM 0 H GLU A 22 5.022 5.899 -7.796 1.00 0.00 H new ATOM 0 HA GLU A 22 6.333 4.488 -9.899 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.017 6.920 -9.806 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.055 7.017 -8.398 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.351 7.661 -10.312 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.949 6.111 -9.753 1.00 0.00 H new ATOM 341 N ARG A 23 7.708 4.235 -6.940 1.00 0.00 N ATOM 342 CA ARG A 23 8.736 3.561 -6.159 1.00 0.00 C ATOM 343 C ARG A 23 8.351 2.114 -5.821 1.00 0.00 C ATOM 344 O ARG A 23 9.205 1.227 -5.892 1.00 0.00 O ATOM 345 CB ARG A 23 9.001 4.386 -4.887 1.00 0.00 C ATOM 346 CG ARG A 23 10.393 4.047 -4.344 1.00 0.00 C ATOM 347 CD ARG A 23 10.681 4.713 -3.000 1.00 0.00 C ATOM 348 NE ARG A 23 11.879 4.108 -2.396 1.00 0.00 N ATOM 349 CZ ARG A 23 13.126 4.589 -2.429 1.00 0.00 C ATOM 350 NH1 ARG A 23 13.398 5.799 -2.904 1.00 0.00 N ATOM 351 NH2 ARG A 23 14.113 3.815 -1.997 1.00 0.00 N ATOM 0 H ARG A 23 7.004 4.698 -6.365 1.00 0.00 H new ATOM 0 HA ARG A 23 9.648 3.496 -6.752 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.935 5.451 -5.110 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.242 4.170 -4.135 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.483 2.966 -4.236 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.146 4.358 -5.068 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.832 5.784 -3.138 1.00 0.00 H new ATOM 0 HD3 ARG A 23 9.826 4.595 -2.334 1.00 0.00 H new ATOM 0 HE ARG A 23 11.743 3.228 -1.899 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.645 6.389 -3.257 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.360 6.138 -2.916 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.911 2.877 -1.650 1.00 0.00 H new ATOM 0 HH22 ARG A 23 15.074 4.158 -2.011 1.00 0.00 H new ATOM 365 N ASP A 24 7.110 1.865 -5.393 1.00 0.00 N ATOM 366 CA ASP A 24 6.648 0.553 -4.932 1.00 0.00 C ATOM 367 C ASP A 24 6.058 -0.239 -6.099 1.00 0.00 C ATOM 368 O ASP A 24 4.955 0.094 -6.546 1.00 0.00 O ATOM 369 CB ASP A 24 5.596 0.652 -3.814 1.00 0.00 C ATOM 370 CG ASP A 24 5.201 -0.734 -3.271 1.00 0.00 C ATOM 371 OD1 ASP A 24 5.839 -1.749 -3.633 1.00 0.00 O ATOM 372 OD2 ASP A 24 4.236 -0.818 -2.481 1.00 0.00 O ATOM 0 H ASP A 24 6.386 2.582 -5.357 1.00 0.00 H new ATOM 0 HA ASP A 24 7.521 0.042 -4.526 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.988 1.262 -3.000 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.709 1.159 -4.194 1.00 0.00 H new ATOM 377 N PRO A 25 6.726 -1.300 -6.590 1.00 0.00 N ATOM 378 CA PRO A 25 6.150 -2.129 -7.632 1.00 0.00 C ATOM 379 C PRO A 25 4.849 -2.767 -7.160 1.00 0.00 C ATOM 380 O PRO A 25 3.932 -2.859 -7.965 1.00 0.00 O ATOM 381 CB PRO A 25 7.199 -3.183 -7.985 1.00 0.00 C ATOM 382 CG PRO A 25 8.036 -3.281 -6.712 1.00 0.00 C ATOM 383 CD PRO A 25 7.986 -1.868 -6.134 1.00 0.00 C ATOM 0 HA PRO A 25 5.897 -1.537 -8.511 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.740 -4.138 -8.240 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.802 -2.880 -8.841 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.623 -4.012 -6.017 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.059 -3.589 -6.928 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.035 -1.888 -5.045 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.831 -1.273 -6.480 1.00 0.00 H new ATOM 391 N TRP A 26 4.715 -3.173 -5.892 1.00 0.00 N ATOM 392 CA TRP A 26 3.486 -3.809 -5.443 1.00 0.00 C ATOM 393 C TRP A 26 2.329 -2.810 -5.491 1.00 0.00 C ATOM 394 O TRP A 26 1.267 -3.156 -6.007 1.00 0.00 O ATOM 395 CB TRP A 26 3.656 -4.442 -4.060 1.00 0.00 C ATOM 396 CG TRP A 26 2.406 -5.070 -3.523 1.00 0.00 C ATOM 397 CD1 TRP A 26 1.795 -4.694 -2.381 1.00 0.00 C ATOM 398 CD2 TRP A 26 1.584 -6.142 -4.078 1.00 0.00 C ATOM 399 NE1 TRP A 26 0.624 -5.407 -2.211 1.00 0.00 N ATOM 400 CE2 TRP A 26 0.446 -6.316 -3.235 1.00 0.00 C ATOM 401 CE3 TRP A 26 1.696 -7.009 -5.189 1.00 0.00 C ATOM 402 CZ2 TRP A 26 -0.541 -7.277 -3.504 1.00 0.00 C ATOM 403 CZ3 TRP A 26 0.750 -8.027 -5.423 1.00 0.00 C ATOM 404 CH2 TRP A 26 -0.377 -8.148 -4.593 1.00 0.00 C ATOM 0 H TRP A 26 5.433 -3.072 -5.175 1.00 0.00 H new ATOM 0 HA TRP A 26 3.245 -4.626 -6.123 1.00 0.00 H new ATOM 0 HB2 TRP A 26 4.438 -5.199 -4.111 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.997 -3.678 -3.361 1.00 0.00 H new ATOM 0 HD1 TRP A 26 2.167 -3.944 -1.698 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -0.023 -5.279 -1.433 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.524 -6.889 -5.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -1.419 -7.346 -2.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 0.892 -8.716 -6.243 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -1.116 -8.910 -4.792 1.00 0.00 H new ATOM 415 N ALA A 27 2.520 -1.565 -5.034 1.00 0.00 N ATOM 416 CA ALA A 27 1.480 -0.545 -5.144 1.00 0.00 C ATOM 417 C ALA A 27 1.063 -0.353 -6.602 1.00 0.00 C ATOM 418 O ALA A 27 -0.136 -0.285 -6.890 1.00 0.00 O ATOM 419 CB ALA A 27 1.953 0.784 -4.544 1.00 0.00 C ATOM 0 H ALA A 27 3.380 -1.246 -4.588 1.00 0.00 H new ATOM 0 HA ALA A 27 0.613 -0.886 -4.579 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.162 1.528 -4.638 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.195 0.642 -3.491 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.840 1.129 -5.076 1.00 0.00 H new ATOM 425 N ALA A 28 2.041 -0.278 -7.510 1.00 0.00 N ATOM 426 CA ALA A 28 1.812 -0.100 -8.936 1.00 0.00 C ATOM 427 C ALA A 28 1.033 -1.281 -9.511 1.00 0.00 C ATOM 428 O ALA A 28 0.069 -1.091 -10.255 1.00 0.00 O ATOM 429 CB ALA A 28 3.157 0.047 -9.658 1.00 0.00 C ATOM 0 H ALA A 28 3.029 -0.341 -7.264 1.00 0.00 H new ATOM 0 HA ALA A 28 1.220 0.803 -9.086 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.984 0.180 -10.726 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.688 0.914 -9.265 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.756 -0.849 -9.497 1.00 0.00 H new ATOM 435 N GLN A 29 1.449 -2.494 -9.148 1.00 0.00 N ATOM 436 CA GLN A 29 0.860 -3.749 -9.567 1.00 0.00 C ATOM 437 C GLN A 29 -0.593 -3.794 -9.116 1.00 0.00 C ATOM 438 O GLN A 29 -1.462 -4.040 -9.941 1.00 0.00 O ATOM 439 CB GLN A 29 1.666 -4.929 -9.001 1.00 0.00 C ATOM 440 CG GLN A 29 2.981 -5.163 -9.767 1.00 0.00 C ATOM 441 CD GLN A 29 3.903 -6.187 -9.096 1.00 0.00 C ATOM 442 OE1 GLN A 29 3.944 -6.355 -7.881 1.00 0.00 O ATOM 443 NE2 GLN A 29 4.651 -6.928 -9.892 1.00 0.00 N ATOM 0 H GLN A 29 2.245 -2.626 -8.524 1.00 0.00 H new ATOM 0 HA GLN A 29 0.887 -3.828 -10.654 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.889 -4.742 -7.950 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.059 -5.833 -9.042 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.749 -5.501 -10.777 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.511 -4.215 -9.862 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.616 -6.787 -10.902 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.264 -7.641 -9.497 1.00 0.00 H new ATOM 452 N VAL A 30 -0.901 -3.513 -7.847 1.00 0.00 N ATOM 453 CA VAL A 30 -2.289 -3.529 -7.376 1.00 0.00 C ATOM 454 C VAL A 30 -3.134 -2.559 -8.198 1.00 0.00 C ATOM 455 O VAL A 30 -4.260 -2.891 -8.568 1.00 0.00 O ATOM 456 CB VAL A 30 -2.347 -3.170 -5.872 1.00 0.00 C ATOM 457 CG1 VAL A 30 -3.777 -2.976 -5.338 1.00 0.00 C ATOM 458 CG2 VAL A 30 -1.693 -4.265 -5.029 1.00 0.00 C ATOM 0 H VAL A 30 -0.214 -3.273 -7.132 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.696 -4.532 -7.504 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.813 -2.224 -5.787 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.739 -2.727 -4.278 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.263 -2.167 -5.884 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.344 -3.897 -5.474 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.745 -3.992 -3.975 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.218 -5.207 -5.186 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.650 -4.377 -5.324 1.00 0.00 H new ATOM 468 N SER A 31 -2.589 -1.391 -8.528 1.00 0.00 N ATOM 469 CA SER A 31 -3.273 -0.408 -9.340 1.00 0.00 C ATOM 470 C SER A 31 -3.418 -0.847 -10.800 1.00 0.00 C ATOM 471 O SER A 31 -4.311 -0.358 -11.491 1.00 0.00 O ATOM 472 CB SER A 31 -2.546 0.921 -9.153 1.00 0.00 C ATOM 473 OG SER A 31 -2.756 1.369 -7.823 1.00 0.00 O ATOM 0 H SER A 31 -1.655 -1.105 -8.234 1.00 0.00 H new ATOM 0 HA SER A 31 -4.307 -0.293 -9.014 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.480 0.800 -9.347 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.918 1.659 -9.864 1.00 0.00 H new ATOM 0 HG SER A 31 -2.050 1.015 -7.243 1.00 0.00 H new ATOM 479 N GLN A 32 -2.597 -1.784 -11.271 1.00 0.00 N ATOM 480 CA GLN A 32 -2.717 -2.381 -12.594 1.00 0.00 C ATOM 481 C GLN A 32 -3.823 -3.450 -12.577 1.00 0.00 C ATOM 482 O GLN A 32 -4.401 -3.759 -13.620 1.00 0.00 O ATOM 483 CB GLN A 32 -1.342 -2.944 -13.000 1.00 0.00 C ATOM 484 CG GLN A 32 -1.323 -3.582 -14.389 1.00 0.00 C ATOM 485 CD GLN A 32 0.060 -4.046 -14.847 1.00 0.00 C ATOM 486 OE1 GLN A 32 0.203 -5.164 -15.330 1.00 0.00 O ATOM 487 NE2 GLN A 32 1.100 -3.236 -14.732 1.00 0.00 N ATOM 0 H GLN A 32 -1.815 -2.155 -10.731 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.008 -1.641 -13.340 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.607 -2.140 -12.970 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.032 -3.687 -12.265 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.000 -4.436 -14.393 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.711 -2.864 -15.112 1.00 0.00 H new ATOM 0 HE21 GLN A 32 0.980 -2.306 -14.330 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.021 -3.541 -15.045 1.00 0.00 H new ATOM 496 N LEU A 33 -4.136 -4.020 -11.409 1.00 0.00 N ATOM 497 CA LEU A 33 -5.172 -5.037 -11.242 1.00 0.00 C ATOM 498 C LEU A 33 -6.512 -4.440 -10.835 1.00 0.00 C ATOM 499 O LEU A 33 -7.536 -5.103 -11.006 1.00 0.00 O ATOM 500 CB LEU A 33 -4.737 -6.046 -10.166 1.00 0.00 C ATOM 501 CG LEU A 33 -3.401 -6.747 -10.430 1.00 0.00 C ATOM 502 CD1 LEU A 33 -3.173 -7.876 -9.428 1.00 0.00 C ATOM 503 CD2 LEU A 33 -3.346 -7.253 -11.879 1.00 0.00 C ATOM 0 H LEU A 33 -3.665 -3.780 -10.537 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.298 -5.526 -12.208 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.674 -5.528 -9.209 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.514 -6.805 -10.067 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.593 -6.028 -10.295 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.218 -8.359 -9.635 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.162 -7.469 -8.417 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.976 -8.608 -9.515 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.392 -7.750 -12.055 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.159 -7.959 -12.049 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.448 -6.410 -12.563 1.00 0.00 H new ATOM 515 N SER A 34 -6.497 -3.229 -10.285 1.00 0.00 N ATOM 516 CA SER A 34 -7.625 -2.503 -9.709 1.00 0.00 C ATOM 517 C SER A 34 -8.574 -3.454 -8.975 1.00 0.00 C ATOM 518 O SER A 34 -9.680 -3.766 -9.432 1.00 0.00 O ATOM 519 CB SER A 34 -8.311 -1.664 -10.784 1.00 0.00 C ATOM 520 OG SER A 34 -7.410 -0.693 -11.279 1.00 0.00 O ATOM 0 H SER A 34 -5.633 -2.690 -10.226 1.00 0.00 H new ATOM 0 HA SER A 34 -7.262 -1.808 -8.952 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.652 -2.305 -11.597 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.194 -1.177 -10.370 1.00 0.00 H new ATOM 0 HG SER A 34 -7.853 -0.158 -11.970 1.00 0.00 H new ATOM 526 N LEU A 35 -8.114 -3.951 -7.826 1.00 0.00 N ATOM 527 CA LEU A 35 -8.914 -4.779 -6.922 1.00 0.00 C ATOM 528 C LEU A 35 -10.147 -3.975 -6.470 1.00 0.00 C ATOM 529 O LEU A 35 -10.094 -2.745 -6.510 1.00 0.00 O ATOM 530 CB LEU A 35 -8.047 -5.216 -5.725 1.00 0.00 C ATOM 531 CG LEU A 35 -7.192 -6.479 -5.967 1.00 0.00 C ATOM 532 CD1 LEU A 35 -6.407 -6.465 -7.277 1.00 0.00 C ATOM 533 CD2 LEU A 35 -6.167 -6.626 -4.842 1.00 0.00 C ATOM 0 H LEU A 35 -7.164 -3.788 -7.493 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.259 -5.680 -7.429 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.385 -4.393 -5.455 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.698 -5.395 -4.869 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.904 -7.304 -6.006 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.834 -7.388 -7.368 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.099 -6.383 -8.115 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.727 -5.614 -7.284 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.564 -7.518 -5.013 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.520 -5.749 -4.822 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.685 -6.717 -3.887 1.00 0.00 H new ATOM 545 N PRO A 36 -11.252 -4.622 -6.058 1.00 0.00 N ATOM 546 CA PRO A 36 -12.501 -3.943 -5.714 1.00 0.00 C ATOM 547 C PRO A 36 -12.379 -3.126 -4.417 1.00 0.00 C ATOM 548 O PRO A 36 -11.930 -1.984 -4.476 1.00 0.00 O ATOM 549 CB PRO A 36 -13.577 -5.037 -5.703 1.00 0.00 C ATOM 550 CG PRO A 36 -12.779 -6.301 -5.384 1.00 0.00 C ATOM 551 CD PRO A 36 -11.476 -6.056 -6.137 1.00 0.00 C ATOM 0 HA PRO A 36 -12.775 -3.179 -6.442 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.342 -4.843 -4.952 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.086 -5.113 -6.664 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.615 -6.420 -4.313 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.286 -7.201 -5.730 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -10.651 -6.608 -5.687 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.552 -6.386 -7.173 1.00 0.00 H new ATOM 559 N LYS A 37 -12.770 -3.648 -3.246 1.00 0.00 N ATOM 560 CA LYS A 37 -12.653 -2.904 -1.986 1.00 0.00 C ATOM 561 C LYS A 37 -12.188 -3.799 -0.858 1.00 0.00 C ATOM 562 O LYS A 37 -11.182 -3.479 -0.237 1.00 0.00 O ATOM 563 CB LYS A 37 -13.966 -2.206 -1.612 1.00 0.00 C ATOM 564 CG LYS A 37 -14.283 -0.959 -2.447 1.00 0.00 C ATOM 565 CD LYS A 37 -13.284 0.183 -2.183 1.00 0.00 C ATOM 566 CE LYS A 37 -13.673 1.500 -2.859 1.00 0.00 C ATOM 567 NZ LYS A 37 -13.512 1.462 -4.326 1.00 0.00 N ATOM 0 H LYS A 37 -13.169 -4.581 -3.146 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.899 -2.133 -2.143 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -14.785 -2.918 -1.719 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -13.926 -1.923 -0.560 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.266 -1.218 -3.506 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -15.293 -0.617 -2.219 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.204 0.345 -1.108 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.297 -0.119 -2.534 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.710 1.734 -2.618 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.062 2.306 -2.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.790 2.379 -4.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.518 1.267 -4.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.115 0.713 -4.722 1.00 0.00 H new ATOM 581 N LEU A 38 -12.859 -4.920 -0.613 1.00 0.00 N ATOM 582 CA LEU A 38 -12.419 -5.901 0.377 1.00 0.00 C ATOM 583 C LEU A 38 -11.037 -6.423 -0.001 1.00 0.00 C ATOM 584 O LEU A 38 -10.086 -6.313 0.767 1.00 0.00 O ATOM 585 CB LEU A 38 -13.439 -7.044 0.444 1.00 0.00 C ATOM 586 CG LEU A 38 -13.065 -8.196 1.389 1.00 0.00 C ATOM 587 CD1 LEU A 38 -12.838 -7.731 2.829 1.00 0.00 C ATOM 588 CD2 LEU A 38 -14.200 -9.219 1.341 1.00 0.00 C ATOM 0 H LEU A 38 -13.722 -5.175 -1.093 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.352 -5.436 1.361 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.400 -6.635 0.757 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.576 -7.447 -0.559 1.00 0.00 H new ATOM 0 HG LEU A 38 -12.121 -8.629 1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.577 -8.587 3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.026 -7.004 2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -13.749 -7.270 3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -13.966 -10.053 2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -15.128 -8.748 1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -14.316 -9.586 0.321 1.00 0.00 H new ATOM 600 N VAL A 39 -10.927 -6.958 -1.218 1.00 0.00 N ATOM 601 CA VAL A 39 -9.694 -7.542 -1.726 1.00 0.00 C ATOM 602 C VAL A 39 -8.626 -6.451 -1.836 1.00 0.00 C ATOM 603 O VAL A 39 -7.458 -6.700 -1.541 1.00 0.00 O ATOM 604 CB VAL A 39 -9.946 -8.229 -3.087 1.00 0.00 C ATOM 605 CG1 VAL A 39 -8.811 -9.196 -3.425 1.00 0.00 C ATOM 606 CG2 VAL A 39 -11.270 -9.003 -3.151 1.00 0.00 C ATOM 0 H VAL A 39 -11.701 -6.996 -1.881 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.337 -8.307 -1.036 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.996 -7.417 -3.812 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.010 -9.668 -4.387 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.870 -8.649 -3.477 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.743 -9.962 -2.652 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.378 -9.458 -4.136 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.273 -9.782 -2.389 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.100 -8.319 -2.974 1.00 0.00 H new ATOM 616 N GLU A 40 -9.031 -5.236 -2.225 1.00 0.00 N ATOM 617 CA GLU A 40 -8.143 -4.082 -2.283 1.00 0.00 C ATOM 618 C GLU A 40 -7.565 -3.873 -0.881 1.00 0.00 C ATOM 619 O GLU A 40 -6.351 -3.809 -0.739 1.00 0.00 O ATOM 620 CB GLU A 40 -8.903 -2.846 -2.804 1.00 0.00 C ATOM 621 CG GLU A 40 -8.018 -1.589 -2.925 1.00 0.00 C ATOM 622 CD GLU A 40 -8.774 -0.258 -2.772 1.00 0.00 C ATOM 623 OE1 GLU A 40 -9.655 -0.147 -1.888 1.00 0.00 O ATOM 624 OE2 GLU A 40 -8.445 0.721 -3.488 1.00 0.00 O ATOM 0 H GLU A 40 -9.989 -5.031 -2.508 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.323 -4.248 -2.982 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.330 -3.076 -3.780 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.736 -2.632 -2.134 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.236 -1.637 -2.167 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.523 -1.601 -3.896 1.00 0.00 H new ATOM 631 N GLN A 41 -8.402 -3.838 0.163 1.00 0.00 N ATOM 632 CA GLN A 41 -7.962 -3.572 1.524 1.00 0.00 C ATOM 633 C GLN A 41 -6.984 -4.634 2.028 1.00 0.00 C ATOM 634 O GLN A 41 -6.103 -4.311 2.822 1.00 0.00 O ATOM 635 CB GLN A 41 -9.158 -3.429 2.473 1.00 0.00 C ATOM 636 CG GLN A 41 -8.822 -2.458 3.619 1.00 0.00 C ATOM 637 CD GLN A 41 -10.063 -1.935 4.329 1.00 0.00 C ATOM 638 OE1 GLN A 41 -10.175 -2.014 5.550 1.00 0.00 O ATOM 639 NE2 GLN A 41 -10.999 -1.375 3.585 1.00 0.00 N ATOM 0 H GLN A 41 -9.406 -3.995 0.079 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.426 -2.623 1.508 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.025 -3.065 1.922 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.425 -4.404 2.881 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.181 -2.963 4.341 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.254 -1.617 3.222 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.882 -1.322 2.573 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.839 -0.996 4.022 1.00 0.00 H new ATOM 648 N VAL A 42 -7.114 -5.880 1.575 1.00 0.00 N ATOM 649 CA VAL A 42 -6.173 -6.950 1.879 1.00 0.00 C ATOM 650 C VAL A 42 -4.830 -6.626 1.231 1.00 0.00 C ATOM 651 O VAL A 42 -3.827 -6.541 1.937 1.00 0.00 O ATOM 652 CB VAL A 42 -6.780 -8.294 1.434 1.00 0.00 C ATOM 653 CG1 VAL A 42 -5.781 -9.456 1.345 1.00 0.00 C ATOM 654 CG2 VAL A 42 -7.890 -8.652 2.429 1.00 0.00 C ATOM 0 H VAL A 42 -7.887 -6.176 0.979 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.987 -7.036 2.950 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.150 -8.158 0.418 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.301 -10.359 1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.001 -9.211 0.624 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.331 -9.625 2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.343 -9.601 2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.467 -8.739 3.430 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.650 -7.871 2.423 1.00 0.00 H new ATOM 664 N ALA A 43 -4.797 -6.412 -0.089 1.00 0.00 N ATOM 665 CA ALA A 43 -3.571 -6.069 -0.796 1.00 0.00 C ATOM 666 C ALA A 43 -2.930 -4.790 -0.240 1.00 0.00 C ATOM 667 O ALA A 43 -1.708 -4.652 -0.280 1.00 0.00 O ATOM 668 CB ALA A 43 -3.874 -5.911 -2.286 1.00 0.00 C ATOM 0 H ALA A 43 -5.619 -6.473 -0.690 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.854 -6.877 -0.650 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.958 -5.654 -2.818 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.271 -6.847 -2.678 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.609 -5.119 -2.426 1.00 0.00 H new ATOM 674 N LEU A 44 -3.758 -3.875 0.270 1.00 0.00 N ATOM 675 CA LEU A 44 -3.387 -2.599 0.852 1.00 0.00 C ATOM 676 C LEU A 44 -2.792 -2.745 2.236 1.00 0.00 C ATOM 677 O LEU A 44 -1.874 -1.995 2.552 1.00 0.00 O ATOM 678 CB LEU A 44 -4.599 -1.664 0.932 1.00 0.00 C ATOM 679 CG LEU A 44 -4.938 -0.925 -0.372 1.00 0.00 C ATOM 680 CD1 LEU A 44 -6.217 -0.115 -0.127 1.00 0.00 C ATOM 681 CD2 LEU A 44 -3.828 0.018 -0.853 1.00 0.00 C ATOM 0 H LEU A 44 -4.767 -4.022 0.285 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.628 -2.174 0.195 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.468 -2.246 1.238 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.418 -0.926 1.713 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.062 -1.672 -1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.486 0.423 -1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.028 -0.789 0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.047 0.598 0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.139 0.504 -1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.638 0.775 -0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.917 -0.553 -1.032 1.00 0.00 H new ATOM 693 N ASN A 45 -3.306 -3.647 3.077 1.00 0.00 N ATOM 694 CA ASN A 45 -2.844 -3.751 4.463 1.00 0.00 C ATOM 695 C ASN A 45 -1.842 -4.891 4.610 1.00 0.00 C ATOM 696 O ASN A 45 -1.600 -5.366 5.720 1.00 0.00 O ATOM 697 CB ASN A 45 -4.019 -3.838 5.443 1.00 0.00 C ATOM 698 CG ASN A 45 -4.719 -2.492 5.551 1.00 0.00 C ATOM 699 OD1 ASN A 45 -4.394 -1.667 6.399 1.00 0.00 O ATOM 700 ND2 ASN A 45 -5.679 -2.216 4.692 1.00 0.00 N ATOM 0 H ASN A 45 -4.037 -4.311 2.824 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.314 -2.836 4.726 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.726 -4.597 5.107 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.660 -4.149 6.424 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.154 -1.314 4.731 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.947 -2.904 3.988 1.00 0.00 H new ATOM 707 N ALA A 46 -1.246 -5.329 3.502 1.00 0.00 N ATOM 708 CA ALA A 46 -0.190 -6.311 3.474 1.00 0.00 C ATOM 709 C ALA A 46 0.970 -5.803 2.642 1.00 0.00 C ATOM 710 O ALA A 46 0.811 -4.906 1.818 1.00 0.00 O ATOM 711 CB ALA A 46 -0.721 -7.610 2.861 1.00 0.00 C ATOM 0 H ALA A 46 -1.501 -4.992 2.574 1.00 0.00 H new ATOM 0 HA ALA A 46 0.153 -6.495 4.492 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.075 -8.354 2.839 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.550 -7.984 3.462 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.067 -7.418 1.845 1.00 0.00 H new ATOM 717 N TRP A 47 2.136 -6.389 2.873 1.00 0.00 N ATOM 718 CA TRP A 47 3.333 -6.155 2.093 1.00 0.00 C ATOM 719 C TRP A 47 3.603 -7.474 1.388 1.00 0.00 C ATOM 720 O TRP A 47 3.442 -8.555 1.965 1.00 0.00 O ATOM 721 CB TRP A 47 4.497 -5.649 2.941 1.00 0.00 C ATOM 722 CG TRP A 47 5.017 -6.527 4.039 1.00 0.00 C ATOM 723 CD1 TRP A 47 4.596 -6.514 5.325 1.00 0.00 C ATOM 724 CD2 TRP A 47 6.111 -7.498 3.990 1.00 0.00 C ATOM 725 NE1 TRP A 47 5.412 -7.332 6.081 1.00 0.00 N ATOM 726 CE2 TRP A 47 6.359 -7.962 5.315 1.00 0.00 C ATOM 727 CE3 TRP A 47 6.933 -8.029 2.972 1.00 0.00 C ATOM 728 CZ2 TRP A 47 7.353 -8.900 5.619 1.00 0.00 C ATOM 729 CZ3 TRP A 47 7.917 -8.994 3.264 1.00 0.00 C ATOM 730 CH2 TRP A 47 8.111 -9.450 4.577 1.00 0.00 C ATOM 0 H TRP A 47 2.275 -7.058 3.630 1.00 0.00 H new ATOM 0 HA TRP A 47 3.203 -5.352 1.368 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.327 -5.432 2.269 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.194 -4.703 3.389 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.754 -5.952 5.701 1.00 0.00 H new ATOM 0 HE1 TRP A 47 5.321 -7.453 7.090 1.00 0.00 H new ATOM 0 HE3 TRP A 47 6.805 -7.690 1.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 7.533 -9.195 6.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 8.530 -9.388 2.467 1.00 0.00 H new ATOM 0 HH2 TRP A 47 8.840 -10.220 4.783 1.00 0.00 H new ATOM 741 N LYS A 48 3.897 -7.398 0.101 1.00 0.00 N ATOM 742 CA LYS A 48 4.051 -8.561 -0.741 1.00 0.00 C ATOM 743 C LYS A 48 5.469 -9.077 -0.610 1.00 0.00 C ATOM 744 O LYS A 48 6.423 -8.307 -0.697 1.00 0.00 O ATOM 745 CB LYS A 48 3.687 -8.143 -2.176 1.00 0.00 C ATOM 746 CG LYS A 48 3.673 -9.292 -3.190 1.00 0.00 C ATOM 747 CD LYS A 48 5.004 -9.588 -3.900 1.00 0.00 C ATOM 748 CE LYS A 48 5.464 -8.452 -4.821 1.00 0.00 C ATOM 749 NZ LYS A 48 6.757 -8.775 -5.458 1.00 0.00 N ATOM 0 H LYS A 48 4.036 -6.514 -0.389 1.00 0.00 H new ATOM 0 HA LYS A 48 3.392 -9.379 -0.449 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.704 -7.673 -2.165 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.398 -7.388 -2.512 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.350 -10.198 -2.677 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.922 -9.070 -3.948 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.774 -9.774 -3.151 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.901 -10.502 -4.485 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.711 -8.275 -5.589 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.558 -7.530 -4.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.045 -7.990 -6.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.479 -8.921 -4.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.658 -9.642 -6.024 1.00 0.00 H new ATOM 763 N GLU A 49 5.598 -10.379 -0.407 1.00 0.00 N ATOM 764 CA GLU A 49 6.854 -11.098 -0.394 1.00 0.00 C ATOM 765 C GLU A 49 6.689 -12.111 -1.519 1.00 0.00 C ATOM 766 O GLU A 49 5.593 -12.644 -1.715 1.00 0.00 O ATOM 767 CB GLU A 49 7.109 -11.740 0.972 1.00 0.00 C ATOM 768 CG GLU A 49 8.481 -12.422 1.083 1.00 0.00 C ATOM 769 CD GLU A 49 9.653 -11.526 0.673 1.00 0.00 C ATOM 770 OE1 GLU A 49 9.932 -11.415 -0.542 1.00 0.00 O ATOM 771 OE2 GLU A 49 10.341 -10.953 1.551 1.00 0.00 O ATOM 0 H GLU A 49 4.795 -10.985 -0.240 1.00 0.00 H new ATOM 0 HA GLU A 49 7.727 -10.464 -0.550 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.029 -10.975 1.744 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.329 -12.476 1.170 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.630 -12.751 2.111 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.483 -13.316 0.459 1.00 0.00 H new ATOM 778 N GLU A 50 7.747 -12.378 -2.269 1.00 0.00 N ATOM 779 CA GLU A 50 7.680 -13.216 -3.451 1.00 0.00 C ATOM 780 C GLU A 50 8.755 -14.288 -3.405 1.00 0.00 C ATOM 781 O GLU A 50 9.947 -14.002 -3.281 1.00 0.00 O ATOM 782 CB GLU A 50 7.765 -12.304 -4.685 1.00 0.00 C ATOM 783 CG GLU A 50 8.242 -13.014 -5.950 1.00 0.00 C ATOM 784 CD GLU A 50 8.019 -12.156 -7.189 1.00 0.00 C ATOM 785 OE1 GLU A 50 8.914 -11.361 -7.568 1.00 0.00 O ATOM 786 OE2 GLU A 50 6.940 -12.302 -7.806 1.00 0.00 O ATOM 0 H GLU A 50 8.680 -12.016 -2.072 1.00 0.00 H new ATOM 0 HA GLU A 50 6.736 -13.759 -3.500 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.782 -11.871 -4.872 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.442 -11.478 -4.467 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.302 -13.253 -5.857 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.711 -13.959 -6.060 1.00 0.00 H new ATOM 793 N SER A 51 8.317 -15.534 -3.493 1.00 0.00 N ATOM 794 CA SER A 51 9.149 -16.706 -3.606 1.00 0.00 C ATOM 795 C SER A 51 9.279 -16.984 -5.109 1.00 0.00 C ATOM 796 O SER A 51 8.597 -16.361 -5.930 1.00 0.00 O ATOM 797 CB SER A 51 8.464 -17.878 -2.887 1.00 0.00 C ATOM 798 OG SER A 51 7.786 -17.473 -1.706 1.00 0.00 O ATOM 0 H SER A 51 7.322 -15.759 -3.487 1.00 0.00 H new ATOM 0 HA SER A 51 10.131 -16.569 -3.153 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.754 -18.350 -3.565 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.211 -18.630 -2.633 1.00 0.00 H new ATOM 0 HG SER A 51 7.366 -18.253 -1.286 1.00 0.00 H new ATOM 804 N ASP A 52 10.083 -17.980 -5.462 1.00 0.00 N ATOM 805 CA ASP A 52 10.327 -18.429 -6.829 1.00 0.00 C ATOM 806 C ASP A 52 9.057 -18.495 -7.685 1.00 0.00 C ATOM 807 O ASP A 52 9.034 -18.002 -8.815 1.00 0.00 O ATOM 808 CB ASP A 52 10.961 -19.814 -6.750 1.00 0.00 C ATOM 809 CG ASP A 52 11.193 -20.375 -8.144 1.00 0.00 C ATOM 810 OD1 ASP A 52 12.035 -19.812 -8.870 1.00 0.00 O ATOM 811 OD2 ASP A 52 10.559 -21.406 -8.470 1.00 0.00 O ATOM 0 H ASP A 52 10.606 -18.521 -4.773 1.00 0.00 H new ATOM 0 HA ASP A 52 10.981 -17.704 -7.314 1.00 0.00 H new ATOM 0 HB2 ASP A 52 11.908 -19.757 -6.213 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.314 -20.485 -6.185 1.00 0.00 H new ATOM 816 N ASN A 53 7.999 -19.095 -7.137 1.00 0.00 N ATOM 817 CA ASN A 53 6.701 -19.324 -7.762 1.00 0.00 C ATOM 818 C ASN A 53 5.530 -19.100 -6.793 1.00 0.00 C ATOM 819 O ASN A 53 4.397 -19.469 -7.108 1.00 0.00 O ATOM 820 CB ASN A 53 6.677 -20.740 -8.351 1.00 0.00 C ATOM 821 CG ASN A 53 6.950 -21.831 -7.326 1.00 0.00 C ATOM 822 OD1 ASN A 53 6.059 -22.345 -6.657 1.00 0.00 O ATOM 823 ND2 ASN A 53 8.208 -22.205 -7.174 1.00 0.00 N ATOM 0 H ASN A 53 8.031 -19.456 -6.184 1.00 0.00 H new ATOM 0 HA ASN A 53 6.569 -18.592 -8.559 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.704 -20.918 -8.808 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.419 -20.806 -9.146 1.00 0.00 H new ATOM 0 HD21 ASN A 53 8.447 -22.928 -6.495 1.00 0.00 H new ATOM 0 HD22 ASN A 53 8.941 -21.771 -7.736 1.00 0.00 H new ATOM 830 N ALA A 54 5.756 -18.486 -5.625 1.00 0.00 N ATOM 831 CA ALA A 54 4.697 -18.208 -4.662 1.00 0.00 C ATOM 832 C ALA A 54 4.758 -16.731 -4.315 1.00 0.00 C ATOM 833 O ALA A 54 5.788 -16.090 -4.518 1.00 0.00 O ATOM 834 CB ALA A 54 4.850 -19.095 -3.420 1.00 0.00 C ATOM 0 H ALA A 54 6.679 -18.170 -5.326 1.00 0.00 H new ATOM 0 HA ALA A 54 3.720 -18.438 -5.088 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.050 -18.873 -2.713 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.794 -20.144 -3.713 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.814 -18.900 -2.950 1.00 0.00 H new ATOM 840 N VAL A 55 3.671 -16.186 -3.784 1.00 0.00 N ATOM 841 CA VAL A 55 3.626 -14.807 -3.322 1.00 0.00 C ATOM 842 C VAL A 55 2.877 -14.807 -1.993 1.00 0.00 C ATOM 843 O VAL A 55 1.701 -15.151 -1.932 1.00 0.00 O ATOM 844 CB VAL A 55 3.030 -13.886 -4.408 1.00 0.00 C ATOM 845 CG1 VAL A 55 2.870 -12.462 -3.884 1.00 0.00 C ATOM 846 CG2 VAL A 55 3.944 -13.773 -5.644 1.00 0.00 C ATOM 0 H VAL A 55 2.793 -16.691 -3.662 1.00 0.00 H new ATOM 0 HA VAL A 55 4.620 -14.395 -3.146 1.00 0.00 H new ATOM 0 HB VAL A 55 2.073 -14.335 -4.676 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.448 -11.831 -4.667 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.203 -12.464 -3.022 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.844 -12.071 -3.589 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.482 -13.115 -6.380 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.909 -13.363 -5.346 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.088 -14.761 -6.081 1.00 0.00 H new ATOM 856 N CYS A 56 3.560 -14.474 -0.904 1.00 0.00 N ATOM 857 CA CYS A 56 2.965 -14.395 0.418 1.00 0.00 C ATOM 858 C CYS A 56 2.722 -12.927 0.742 1.00 0.00 C ATOM 859 O CYS A 56 3.670 -12.149 0.825 1.00 0.00 O ATOM 860 CB CYS A 56 3.890 -15.046 1.448 1.00 0.00 C ATOM 861 SG CYS A 56 4.098 -16.812 1.079 1.00 0.00 S ATOM 0 H CYS A 56 4.555 -14.249 -0.918 1.00 0.00 H new ATOM 0 HA CYS A 56 2.017 -14.932 0.445 1.00 0.00 H new ATOM 0 HB2 CYS A 56 4.860 -14.549 1.441 1.00 0.00 H new ATOM 0 HB3 CYS A 56 3.476 -14.923 2.449 1.00 0.00 H new ATOM 0 HG CYS A 56 4.888 -17.350 1.961 1.00 0.00 H new ATOM 867 N LEU A 57 1.466 -12.523 0.898 1.00 0.00 N ATOM 868 CA LEU A 57 1.108 -11.183 1.339 1.00 0.00 C ATOM 869 C LEU A 57 1.144 -11.192 2.860 1.00 0.00 C ATOM 870 O LEU A 57 0.286 -11.803 3.492 1.00 0.00 O ATOM 871 CB LEU A 57 -0.264 -10.773 0.770 1.00 0.00 C ATOM 872 CG LEU A 57 -0.067 -10.071 -0.585 1.00 0.00 C ATOM 873 CD1 LEU A 57 -1.358 -10.000 -1.395 1.00 0.00 C ATOM 874 CD2 LEU A 57 0.421 -8.632 -0.407 1.00 0.00 C ATOM 0 H LEU A 57 0.661 -13.124 0.720 1.00 0.00 H new ATOM 0 HA LEU A 57 1.810 -10.436 0.969 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.897 -11.652 0.648 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.774 -10.107 1.466 1.00 0.00 H new ATOM 0 HG LEU A 57 0.674 -10.672 -1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.166 -9.496 -2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.722 -11.009 -1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.109 -9.444 -0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.549 -8.168 -1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.312 -8.068 0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.374 -8.634 0.121 1.00 0.00 H new ATOM 886 N HIS A 58 2.178 -10.585 3.438 1.00 0.00 N ATOM 887 CA HIS A 58 2.353 -10.418 4.877 1.00 0.00 C ATOM 888 C HIS A 58 1.394 -9.322 5.324 1.00 0.00 C ATOM 889 O HIS A 58 1.697 -8.139 5.185 1.00 0.00 O ATOM 890 CB HIS A 58 3.810 -10.051 5.194 1.00 0.00 C ATOM 891 CG HIS A 58 4.822 -11.155 4.998 1.00 0.00 C ATOM 892 ND1 HIS A 58 5.755 -11.593 5.924 1.00 0.00 N ATOM 893 CD2 HIS A 58 5.061 -11.814 3.826 1.00 0.00 C ATOM 894 CE1 HIS A 58 6.530 -12.512 5.318 1.00 0.00 C ATOM 895 NE2 HIS A 58 6.105 -12.686 4.054 1.00 0.00 N ATOM 0 H HIS A 58 2.943 -10.182 2.897 1.00 0.00 H new ATOM 0 HA HIS A 58 2.134 -11.343 5.410 1.00 0.00 H new ATOM 0 HB2 HIS A 58 4.097 -9.206 4.569 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.863 -9.714 6.229 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.531 -11.678 2.895 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.362 -13.028 5.775 1.00 0.00 H new ATOM 0 HE2 HIS A 58 6.489 -13.349 3.380 1.00 0.00 H new ATOM 904 N LEU A 59 0.208 -9.714 5.770 1.00 0.00 N ATOM 905 CA LEU A 59 -0.898 -8.847 6.139 1.00 0.00 C ATOM 906 C LEU A 59 -0.764 -8.456 7.598 1.00 0.00 C ATOM 907 O LEU A 59 -0.546 -9.316 8.451 1.00 0.00 O ATOM 908 CB LEU A 59 -2.199 -9.619 5.898 1.00 0.00 C ATOM 909 CG LEU A 59 -3.478 -8.772 6.070 1.00 0.00 C ATOM 910 CD1 LEU A 59 -4.185 -8.499 4.740 1.00 0.00 C ATOM 911 CD2 LEU A 59 -4.457 -9.547 6.941 1.00 0.00 C ATOM 0 H LEU A 59 -0.018 -10.701 5.890 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.898 -7.935 5.543 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.182 -10.031 4.889 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.240 -10.463 6.586 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.179 -7.821 6.511 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.078 -7.900 4.919 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.512 -7.958 4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.469 -9.445 4.278 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.368 -8.963 7.073 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.700 -10.495 6.460 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.005 -9.739 7.914 1.00 0.00 H new ATOM 923 N ARG A 60 -0.915 -7.161 7.875 1.00 0.00 N ATOM 924 CA ARG A 60 -0.820 -6.624 9.220 1.00 0.00 C ATOM 925 C ARG A 60 -1.902 -7.223 10.098 1.00 0.00 C ATOM 926 O ARG A 60 -3.086 -7.218 9.742 1.00 0.00 O ATOM 927 CB ARG A 60 -0.919 -5.097 9.209 1.00 0.00 C ATOM 928 CG ARG A 60 0.299 -4.420 8.569 1.00 0.00 C ATOM 929 CD ARG A 60 1.591 -4.622 9.382 1.00 0.00 C ATOM 930 NE ARG A 60 2.730 -3.935 8.756 1.00 0.00 N ATOM 931 CZ ARG A 60 2.887 -2.614 8.649 1.00 0.00 C ATOM 932 NH1 ARG A 60 2.127 -1.807 9.374 1.00 0.00 N ATOM 933 NH2 ARG A 60 3.766 -2.092 7.800 1.00 0.00 N ATOM 0 H ARG A 60 -1.108 -6.456 7.164 1.00 0.00 H new ATOM 0 HA ARG A 60 0.154 -6.893 9.630 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.818 -4.801 8.668 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.030 -4.739 10.232 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.442 -4.816 7.564 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.103 -3.353 8.466 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.448 -4.245 10.395 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.808 -5.687 9.466 1.00 0.00 H new ATOM 0 HE ARG A 60 3.468 -4.522 8.368 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.429 -2.197 10.007 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.240 -0.796 9.299 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.336 -2.704 7.215 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.871 -1.080 7.733 1.00 0.00 H new ATOM 947 N SER A 61 -1.510 -7.663 11.286 1.00 0.00 N ATOM 948 CA SER A 61 -2.406 -8.215 12.277 1.00 0.00 C ATOM 949 C SER A 61 -3.494 -7.212 12.662 1.00 0.00 C ATOM 950 O SER A 61 -4.632 -7.619 12.915 1.00 0.00 O ATOM 951 CB SER A 61 -1.583 -8.664 13.482 1.00 0.00 C ATOM 952 OG SER A 61 -0.819 -7.616 14.041 1.00 0.00 O ATOM 0 H SER A 61 -0.536 -7.643 11.589 1.00 0.00 H new ATOM 0 HA SER A 61 -2.926 -9.079 11.864 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.251 -9.067 14.243 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.917 -9.473 13.181 1.00 0.00 H new ATOM 0 HG SER A 61 -0.313 -7.954 14.809 1.00 0.00 H new ATOM 958 N SER A 62 -3.184 -5.909 12.622 1.00 0.00 N ATOM 959 CA SER A 62 -4.109 -4.832 12.968 1.00 0.00 C ATOM 960 C SER A 62 -5.281 -4.741 11.988 1.00 0.00 C ATOM 961 O SER A 62 -6.290 -4.098 12.290 1.00 0.00 O ATOM 962 CB SER A 62 -3.364 -3.495 13.008 1.00 0.00 C ATOM 963 OG SER A 62 -2.375 -3.505 14.021 1.00 0.00 O ATOM 0 H SER A 62 -2.263 -5.572 12.342 1.00 0.00 H new ATOM 0 HA SER A 62 -4.518 -5.058 13.953 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.900 -3.302 12.041 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.070 -2.685 13.190 1.00 0.00 H new ATOM 0 HG SER A 62 -1.908 -2.643 14.031 1.00 0.00 H new ATOM 969 N GLN A 63 -5.189 -5.391 10.829 1.00 0.00 N ATOM 970 CA GLN A 63 -6.238 -5.437 9.824 1.00 0.00 C ATOM 971 C GLN A 63 -6.549 -6.880 9.430 1.00 0.00 C ATOM 972 O GLN A 63 -7.238 -7.100 8.435 1.00 0.00 O ATOM 973 CB GLN A 63 -5.876 -4.547 8.622 1.00 0.00 C ATOM 974 CG GLN A 63 -5.851 -3.049 8.980 1.00 0.00 C ATOM 975 CD GLN A 63 -4.531 -2.542 9.571 1.00 0.00 C ATOM 976 OE1 GLN A 63 -3.526 -3.241 9.619 1.00 0.00 O ATOM 977 NE2 GLN A 63 -4.504 -1.323 10.079 1.00 0.00 N ATOM 0 H GLN A 63 -4.356 -5.914 10.560 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.156 -5.029 10.247 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.899 -4.841 8.238 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.597 -4.713 7.821 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -6.073 -2.473 8.082 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -6.651 -2.849 9.693 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.338 -0.736 10.042 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.649 -0.968 10.508 1.00 0.00 H new ATOM 986 N ARG A 64 -6.119 -7.886 10.208 1.00 0.00 N ATOM 987 CA ARG A 64 -6.382 -9.277 9.847 1.00 0.00 C ATOM 988 C ARG A 64 -7.874 -9.602 9.740 1.00 0.00 C ATOM 989 O ARG A 64 -8.226 -10.497 8.978 1.00 0.00 O ATOM 990 CB ARG A 64 -5.539 -10.255 10.678 1.00 0.00 C ATOM 991 CG ARG A 64 -5.673 -11.673 10.112 1.00 0.00 C ATOM 992 CD ARG A 64 -4.630 -12.646 10.660 1.00 0.00 C ATOM 993 NE ARG A 64 -4.778 -13.967 10.031 1.00 0.00 N ATOM 994 CZ ARG A 64 -5.810 -14.802 10.190 1.00 0.00 C ATOM 995 NH1 ARG A 64 -6.726 -14.580 11.125 1.00 0.00 N ATOM 996 NH2 ARG A 64 -5.942 -15.840 9.380 1.00 0.00 N ATOM 0 H ARG A 64 -5.597 -7.760 11.075 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.033 -9.423 8.825 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.493 -9.947 10.667 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.866 -10.237 11.718 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.669 -12.054 10.338 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.586 -11.633 9.026 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.629 -12.258 10.474 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.741 -12.737 11.741 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.024 -14.275 9.417 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.647 -13.764 11.733 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.508 -15.225 11.236 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.259 -15.999 8.640 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.727 -16.481 9.496 1.00 0.00 H new ATOM 1010 N HIS A 65 -8.762 -8.820 10.364 1.00 0.00 N ATOM 1011 CA HIS A 65 -10.205 -8.987 10.194 1.00 0.00 C ATOM 1012 C HIS A 65 -10.641 -8.808 8.730 1.00 0.00 C ATOM 1013 O HIS A 65 -11.738 -9.240 8.391 1.00 0.00 O ATOM 1014 CB HIS A 65 -10.977 -8.002 11.086 1.00 0.00 C ATOM 1015 CG HIS A 65 -10.516 -7.967 12.525 1.00 0.00 C ATOM 1016 ND1 HIS A 65 -10.154 -6.836 13.233 1.00 0.00 N ATOM 1017 CD2 HIS A 65 -10.330 -9.051 13.337 1.00 0.00 C ATOM 1018 CE1 HIS A 65 -9.740 -7.237 14.451 1.00 0.00 C ATOM 1019 NE2 HIS A 65 -9.832 -8.578 14.534 1.00 0.00 N ATOM 0 H HIS A 65 -8.502 -8.062 10.994 1.00 0.00 H new ATOM 0 HA HIS A 65 -10.440 -10.008 10.493 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -10.886 -7.001 10.664 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -12.035 -8.263 11.063 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -10.534 -10.082 13.089 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -9.389 -6.585 15.237 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -9.578 -9.146 15.342 1.00 0.00 H new ATOM 1028 N LEU A 66 -9.840 -8.169 7.865 1.00 0.00 N ATOM 1029 CA LEU A 66 -10.136 -8.049 6.439 1.00 0.00 C ATOM 1030 C LEU A 66 -9.777 -9.340 5.705 1.00 0.00 C ATOM 1031 O LEU A 66 -10.411 -9.630 4.697 1.00 0.00 O ATOM 1032 CB LEU A 66 -9.372 -6.873 5.781 1.00 0.00 C ATOM 1033 CG LEU A 66 -9.950 -5.455 5.977 1.00 0.00 C ATOM 1034 CD1 LEU A 66 -11.304 -5.288 5.279 1.00 0.00 C ATOM 1035 CD2 LEU A 66 -10.053 -5.048 7.450 1.00 0.00 C ATOM 0 H LEU A 66 -8.966 -7.721 8.141 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.206 -7.856 6.358 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.352 -6.877 6.164 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.311 -7.067 4.710 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.235 -4.780 5.506 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.675 -4.276 5.442 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.186 -5.463 4.210 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.015 -6.006 5.688 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.466 -4.042 7.521 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.705 -5.746 7.976 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.062 -5.066 7.903 1.00 0.00 H new ATOM 1047 N ASN A 67 -8.778 -10.109 6.157 1.00 0.00 N ATOM 1048 CA ASN A 67 -8.337 -11.304 5.441 1.00 0.00 C ATOM 1049 C ASN A 67 -9.371 -12.407 5.570 1.00 0.00 C ATOM 1050 O ASN A 67 -9.595 -12.954 6.655 1.00 0.00 O ATOM 1051 CB ASN A 67 -6.968 -11.823 5.897 1.00 0.00 C ATOM 1052 CG ASN A 67 -6.633 -13.171 5.252 1.00 0.00 C ATOM 1053 OD1 ASN A 67 -7.058 -13.455 4.136 1.00 0.00 O ATOM 1054 ND2 ASN A 67 -5.852 -14.021 5.892 1.00 0.00 N ATOM 0 H ASN A 67 -8.262 -9.921 7.017 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.229 -11.008 4.398 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.198 -11.095 5.641 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.960 -11.926 6.982 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.603 -14.910 5.459 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.497 -13.788 6.819 1.00 0.00 H new ATOM 1061 N ASN A 68 -9.988 -12.731 4.448 1.00 0.00 N ATOM 1062 CA ASN A 68 -10.920 -13.831 4.266 1.00 0.00 C ATOM 1063 C ASN A 68 -10.494 -14.599 3.028 1.00 0.00 C ATOM 1064 O ASN A 68 -10.052 -14.014 2.040 1.00 0.00 O ATOM 1065 CB ASN A 68 -12.373 -13.351 4.137 1.00 0.00 C ATOM 1066 CG ASN A 68 -12.596 -12.465 2.921 1.00 0.00 C ATOM 1067 OD1 ASN A 68 -12.015 -11.400 2.812 1.00 0.00 O ATOM 1068 ND2 ASN A 68 -13.433 -12.865 1.983 1.00 0.00 N ATOM 0 H ASN A 68 -9.844 -12.202 3.588 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.893 -14.472 5.147 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.033 -14.217 4.076 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.650 -12.802 5.037 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.596 -12.282 1.162 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.917 -13.758 2.079 1.00 0.00 H new ATOM 1075 N ARG A 69 -10.653 -15.921 3.043 1.00 0.00 N ATOM 1076 CA ARG A 69 -10.201 -16.748 1.928 1.00 0.00 C ATOM 1077 C ARG A 69 -10.960 -16.445 0.636 1.00 0.00 C ATOM 1078 O ARG A 69 -10.406 -16.659 -0.441 1.00 0.00 O ATOM 1079 CB ARG A 69 -10.235 -18.232 2.305 1.00 0.00 C ATOM 1080 CG ARG A 69 -9.056 -18.577 3.236 1.00 0.00 C ATOM 1081 CD ARG A 69 -8.880 -20.089 3.389 1.00 0.00 C ATOM 1082 NE ARG A 69 -8.462 -20.705 2.117 1.00 0.00 N ATOM 1083 CZ ARG A 69 -8.977 -21.807 1.558 1.00 0.00 C ATOM 1084 NH1 ARG A 69 -9.848 -22.561 2.219 1.00 0.00 N ATOM 1085 NH2 ARG A 69 -8.612 -22.151 0.331 1.00 0.00 N ATOM 0 H ARG A 69 -11.087 -16.438 3.808 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.162 -16.492 1.721 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -11.178 -18.467 2.799 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -10.186 -18.844 1.404 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.139 -18.142 2.838 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -9.223 -18.129 4.216 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.136 -20.296 4.159 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.817 -20.536 3.723 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.704 -20.246 1.612 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -10.132 -22.303 3.164 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -10.233 -23.398 1.782 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.942 -21.577 -0.182 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -9.001 -22.989 -0.101 1.00 0.00 H new ATOM 1099 N GLY A 70 -12.177 -15.910 0.708 1.00 0.00 N ATOM 1100 CA GLY A 70 -12.913 -15.465 -0.470 1.00 0.00 C ATOM 1101 C GLY A 70 -12.205 -14.292 -1.159 1.00 0.00 C ATOM 1102 O GLY A 70 -12.198 -14.212 -2.389 1.00 0.00 O ATOM 0 H GLY A 70 -12.679 -15.773 1.585 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.016 -16.293 -1.171 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -13.920 -15.165 -0.180 1.00 0.00 H new ATOM 1106 N ALA A 71 -11.591 -13.378 -0.396 1.00 0.00 N ATOM 1107 CA ALA A 71 -10.792 -12.300 -0.959 1.00 0.00 C ATOM 1108 C ALA A 71 -9.507 -12.878 -1.540 1.00 0.00 C ATOM 1109 O ALA A 71 -9.201 -12.586 -2.695 1.00 0.00 O ATOM 1110 CB ALA A 71 -10.493 -11.220 0.081 1.00 0.00 C ATOM 0 H ALA A 71 -11.638 -13.371 0.623 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.360 -11.820 -1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.895 -10.431 -0.375 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -11.429 -10.799 0.448 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.942 -11.659 0.913 1.00 0.00 H new ATOM 1116 N GLN A 72 -8.801 -13.733 -0.789 1.00 0.00 N ATOM 1117 CA GLN A 72 -7.590 -14.414 -1.249 1.00 0.00 C ATOM 1118 C GLN A 72 -7.835 -15.078 -2.600 1.00 0.00 C ATOM 1119 O GLN A 72 -6.967 -15.022 -3.461 1.00 0.00 O ATOM 1120 CB GLN A 72 -7.109 -15.435 -0.198 1.00 0.00 C ATOM 1121 CG GLN A 72 -5.841 -16.234 -0.580 1.00 0.00 C ATOM 1122 CD GLN A 72 -6.083 -17.445 -1.494 1.00 0.00 C ATOM 1123 OE1 GLN A 72 -7.208 -17.890 -1.706 1.00 0.00 O ATOM 1124 NE2 GLN A 72 -5.045 -18.040 -2.049 1.00 0.00 N ATOM 0 H GLN A 72 -9.061 -13.973 0.168 1.00 0.00 H new ATOM 0 HA GLN A 72 -6.799 -13.675 -1.378 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -6.917 -14.906 0.736 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.917 -16.140 -0.005 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -5.141 -15.560 -1.074 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -5.359 -16.580 0.335 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -4.104 -17.683 -1.883 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -5.183 -18.857 -2.644 1.00 0.00 H new ATOM 1133 N GLN A 73 -9.013 -15.667 -2.805 1.00 0.00 N ATOM 1134 CA GLN A 73 -9.338 -16.410 -4.008 1.00 0.00 C ATOM 1135 C GLN A 73 -9.323 -15.496 -5.228 1.00 0.00 C ATOM 1136 O GLN A 73 -8.749 -15.841 -6.265 1.00 0.00 O ATOM 1137 CB GLN A 73 -10.715 -17.055 -3.814 1.00 0.00 C ATOM 1138 CG GLN A 73 -11.034 -18.099 -4.880 1.00 0.00 C ATOM 1139 CD GLN A 73 -12.288 -18.875 -4.500 1.00 0.00 C ATOM 1140 OE1 GLN A 73 -13.279 -18.290 -4.070 1.00 0.00 O ATOM 1141 NE2 GLN A 73 -12.268 -20.191 -4.618 1.00 0.00 N ATOM 0 H GLN A 73 -9.774 -15.637 -2.127 1.00 0.00 H new ATOM 0 HA GLN A 73 -8.592 -17.186 -4.183 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.757 -17.522 -2.830 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.480 -16.279 -3.831 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -11.178 -17.612 -5.844 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -10.194 -18.784 -4.991 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -11.436 -20.658 -4.977 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -13.085 -20.740 -4.350 1.00 0.00 H new ATOM 1150 N LYS A 74 -9.960 -14.328 -5.115 1.00 0.00 N ATOM 1151 CA LYS A 74 -9.990 -13.372 -6.214 1.00 0.00 C ATOM 1152 C LYS A 74 -8.632 -12.694 -6.361 1.00 0.00 C ATOM 1153 O LYS A 74 -8.200 -12.461 -7.489 1.00 0.00 O ATOM 1154 CB LYS A 74 -11.133 -12.367 -6.003 1.00 0.00 C ATOM 1155 CG LYS A 74 -11.473 -11.533 -7.251 1.00 0.00 C ATOM 1156 CD LYS A 74 -12.361 -12.246 -8.287 1.00 0.00 C ATOM 1157 CE LYS A 74 -11.654 -13.332 -9.111 1.00 0.00 C ATOM 1158 NZ LYS A 74 -12.480 -13.811 -10.237 1.00 0.00 N ATOM 0 H LYS A 74 -10.458 -14.027 -4.277 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.187 -13.893 -7.151 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.025 -12.908 -5.686 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.864 -11.692 -5.190 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.974 -10.619 -6.933 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.543 -11.235 -7.735 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.207 -12.698 -7.769 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.767 -11.500 -8.970 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.713 -12.938 -9.496 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.406 -14.172 -8.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.865 -14.223 -10.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.146 -14.534 -9.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.012 -13.014 -10.641 1.00 0.00 H new ATOM 1172 N LEU A 75 -7.941 -12.419 -5.250 1.00 0.00 N ATOM 1173 CA LEU A 75 -6.585 -11.886 -5.263 1.00 0.00 C ATOM 1174 C LEU A 75 -5.660 -12.868 -5.996 1.00 0.00 C ATOM 1175 O LEU A 75 -4.779 -12.427 -6.722 1.00 0.00 O ATOM 1176 CB LEU A 75 -6.080 -11.614 -3.827 1.00 0.00 C ATOM 1177 CG LEU A 75 -5.261 -10.321 -3.629 1.00 0.00 C ATOM 1178 CD1 LEU A 75 -4.883 -10.189 -2.147 1.00 0.00 C ATOM 1179 CD2 LEU A 75 -4.014 -10.161 -4.505 1.00 0.00 C ATOM 0 H LEU A 75 -8.315 -12.563 -4.312 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.583 -10.933 -5.792 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.942 -11.579 -3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.468 -12.459 -3.513 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.919 -9.517 -3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.304 -9.277 -1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.789 -10.145 -1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.287 -11.050 -1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.525 -9.215 -4.273 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.325 -10.983 -4.310 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.304 -10.172 -5.556 1.00 0.00 H new ATOM 1191 N ALA A 76 -5.854 -14.183 -5.839 1.00 0.00 N ATOM 1192 CA ALA A 76 -4.981 -15.207 -6.405 1.00 0.00 C ATOM 1193 C ALA A 76 -5.110 -15.211 -7.916 1.00 0.00 C ATOM 1194 O ALA A 76 -4.103 -15.269 -8.619 1.00 0.00 O ATOM 1195 CB ALA A 76 -5.312 -16.586 -5.820 1.00 0.00 C ATOM 0 H ALA A 76 -6.635 -14.567 -5.306 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.948 -14.977 -6.144 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.650 -17.334 -6.255 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.175 -16.565 -4.739 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.347 -16.840 -6.050 1.00 0.00 H new ATOM 1201 N GLU A 77 -6.338 -15.109 -8.419 1.00 0.00 N ATOM 1202 CA GLU A 77 -6.591 -14.975 -9.843 1.00 0.00 C ATOM 1203 C GLU A 77 -5.966 -13.684 -10.368 1.00 0.00 C ATOM 1204 O GLU A 77 -5.315 -13.691 -11.410 1.00 0.00 O ATOM 1205 CB GLU A 77 -8.102 -14.993 -10.077 1.00 0.00 C ATOM 1206 CG GLU A 77 -8.430 -14.906 -11.572 1.00 0.00 C ATOM 1207 CD GLU A 77 -9.691 -15.699 -11.868 1.00 0.00 C ATOM 1208 OE1 GLU A 77 -9.593 -16.939 -12.004 1.00 0.00 O ATOM 1209 OE2 GLU A 77 -10.789 -15.103 -11.897 1.00 0.00 O ATOM 0 H GLU A 77 -7.183 -15.117 -7.847 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.138 -15.805 -10.385 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.527 -15.907 -9.661 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.565 -14.158 -9.551 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.567 -13.865 -11.864 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.598 -15.295 -12.160 1.00 0.00 H new ATOM 1216 N ALA A 78 -6.117 -12.585 -9.627 1.00 0.00 N ATOM 1217 CA ALA A 78 -5.560 -11.297 -10.001 1.00 0.00 C ATOM 1218 C ALA A 78 -4.030 -11.396 -10.086 1.00 0.00 C ATOM 1219 O ALA A 78 -3.442 -10.950 -11.065 1.00 0.00 O ATOM 1220 CB ALA A 78 -6.050 -10.225 -9.018 1.00 0.00 C ATOM 0 H ALA A 78 -6.633 -12.570 -8.747 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.905 -11.000 -10.991 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.633 -9.257 -9.297 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.138 -10.173 -9.049 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.727 -10.482 -8.009 1.00 0.00 H new ATOM 1226 N LEU A 79 -3.371 -12.022 -9.107 1.00 0.00 N ATOM 1227 CA LEU A 79 -1.929 -12.250 -9.129 1.00 0.00 C ATOM 1228 C LEU A 79 -1.527 -13.211 -10.249 1.00 0.00 C ATOM 1229 O LEU A 79 -0.457 -13.046 -10.828 1.00 0.00 O ATOM 1230 CB LEU A 79 -1.434 -12.765 -7.760 1.00 0.00 C ATOM 1231 CG LEU A 79 -0.546 -11.722 -7.059 1.00 0.00 C ATOM 1232 CD1 LEU A 79 -0.375 -12.064 -5.584 1.00 0.00 C ATOM 1233 CD2 LEU A 79 0.837 -11.626 -7.718 1.00 0.00 C ATOM 0 H LEU A 79 -3.829 -12.386 -8.272 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.449 -11.293 -9.330 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.289 -13.002 -7.127 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.873 -13.690 -7.898 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.046 -10.758 -7.154 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.256 -11.314 -5.107 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.351 -12.079 -5.098 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.092 -13.044 -5.490 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.437 -10.880 -7.197 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.334 -12.594 -7.663 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.723 -11.335 -8.762 1.00 0.00 H new ATOM 1245 N SER A 80 -2.372 -14.186 -10.586 1.00 0.00 N ATOM 1246 CA SER A 80 -2.121 -15.098 -11.698 1.00 0.00 C ATOM 1247 C SER A 80 -2.169 -14.329 -13.027 1.00 0.00 C ATOM 1248 O SER A 80 -1.342 -14.557 -13.915 1.00 0.00 O ATOM 1249 CB SER A 80 -3.137 -16.246 -11.671 1.00 0.00 C ATOM 1250 OG SER A 80 -3.073 -16.927 -10.428 1.00 0.00 O ATOM 0 H SER A 80 -3.248 -14.364 -10.095 1.00 0.00 H new ATOM 0 HA SER A 80 -1.126 -15.531 -11.599 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.142 -15.856 -11.829 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.933 -16.941 -12.486 1.00 0.00 H new ATOM 0 HG SER A 80 -3.382 -16.332 -9.713 1.00 0.00 H new ATOM 1256 N MET A 81 -3.107 -13.384 -13.164 1.00 0.00 N ATOM 1257 CA MET A 81 -3.203 -12.487 -14.309 1.00 0.00 C ATOM 1258 C MET A 81 -1.958 -11.601 -14.351 1.00 0.00 C ATOM 1259 O MET A 81 -1.355 -11.424 -15.409 1.00 0.00 O ATOM 1260 CB MET A 81 -4.490 -11.643 -14.215 1.00 0.00 C ATOM 1261 CG MET A 81 -4.668 -10.717 -15.421 1.00 0.00 C ATOM 1262 SD MET A 81 -4.761 -11.570 -17.017 1.00 0.00 S ATOM 1263 CE MET A 81 -4.551 -10.166 -18.138 1.00 0.00 C ATOM 0 H MET A 81 -3.832 -13.223 -12.465 1.00 0.00 H new ATOM 0 HA MET A 81 -3.254 -13.064 -15.232 1.00 0.00 H new ATOM 0 HB2 MET A 81 -5.352 -12.306 -14.139 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.465 -11.047 -13.303 1.00 0.00 H new ATOM 0 HG2 MET A 81 -5.577 -10.132 -15.283 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.837 -10.013 -15.448 1.00 0.00 H new ATOM 0 HE1 MET A 81 -4.583 -10.516 -19.170 1.00 0.00 H new ATOM 0 HE2 MET A 81 -5.353 -9.446 -17.974 1.00 0.00 H new ATOM 0 HE3 MET A 81 -3.590 -9.688 -17.947 1.00 0.00 H new ATOM 1273 N LEU A 82 -1.563 -11.061 -13.195 1.00 0.00 N ATOM 1274 CA LEU A 82 -0.458 -10.127 -13.052 1.00 0.00 C ATOM 1275 C LEU A 82 0.827 -10.785 -13.520 1.00 0.00 C ATOM 1276 O LEU A 82 1.494 -10.282 -14.419 1.00 0.00 O ATOM 1277 CB LEU A 82 -0.306 -9.697 -11.581 1.00 0.00 C ATOM 1278 CG LEU A 82 0.778 -8.622 -11.373 1.00 0.00 C ATOM 1279 CD1 LEU A 82 0.333 -7.240 -11.866 1.00 0.00 C ATOM 1280 CD2 LEU A 82 1.135 -8.574 -9.886 1.00 0.00 C ATOM 0 H LEU A 82 -2.022 -11.272 -12.309 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.663 -9.245 -13.659 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.261 -9.316 -11.220 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.063 -10.571 -10.977 1.00 0.00 H new ATOM 0 HG LEU A 82 1.652 -8.892 -11.965 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.132 -6.519 -11.697 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.108 -7.289 -12.931 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.558 -6.929 -11.321 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.902 -7.817 -9.720 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.247 -8.323 -9.306 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.511 -9.547 -9.571 1.00 0.00 H new ATOM 1292 N LYS A 83 1.181 -11.907 -12.892 1.00 0.00 N ATOM 1293 CA LYS A 83 2.449 -12.582 -13.129 1.00 0.00 C ATOM 1294 C LYS A 83 2.529 -13.175 -14.529 1.00 0.00 C ATOM 1295 O LYS A 83 3.634 -13.336 -15.047 1.00 0.00 O ATOM 1296 CB LYS A 83 2.650 -13.657 -12.045 1.00 0.00 C ATOM 1297 CG LYS A 83 4.107 -14.116 -11.875 1.00 0.00 C ATOM 1298 CD LYS A 83 4.971 -13.027 -11.221 1.00 0.00 C ATOM 1299 CE LYS A 83 6.415 -13.512 -11.104 1.00 0.00 C ATOM 1300 NZ LYS A 83 7.281 -12.490 -10.490 1.00 0.00 N ATOM 0 H LYS A 83 0.591 -12.372 -12.202 1.00 0.00 H new ATOM 0 HA LYS A 83 3.255 -11.851 -13.067 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.290 -13.268 -11.092 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.034 -14.523 -12.289 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.136 -15.019 -11.265 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.523 -14.376 -12.848 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.932 -12.114 -11.814 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.579 -12.783 -10.234 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.446 -14.423 -10.507 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.796 -13.766 -12.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.250 -12.859 -10.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 7.283 -11.635 -11.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.922 -12.254 -9.543 1.00 0.00 H new ATOM 1314 N GLY A 84 1.388 -13.521 -15.129 1.00 0.00 N ATOM 1315 CA GLY A 84 1.313 -14.195 -16.418 1.00 0.00 C ATOM 1316 C GLY A 84 1.409 -15.719 -16.304 1.00 0.00 C ATOM 1317 O GLY A 84 1.242 -16.408 -17.312 1.00 0.00 O ATOM 0 H GLY A 84 0.473 -13.334 -14.719 1.00 0.00 H new ATOM 0 HA2 GLY A 84 0.374 -13.931 -16.905 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.117 -13.833 -17.058 1.00 0.00 H new ATOM 1321 N SER A 85 1.649 -16.240 -15.096 1.00 0.00 N ATOM 1322 CA SER A 85 1.785 -17.651 -14.755 1.00 0.00 C ATOM 1323 C SER A 85 1.018 -17.914 -13.450 1.00 0.00 C ATOM 1324 O SER A 85 0.427 -16.990 -12.881 1.00 0.00 O ATOM 1325 CB SER A 85 3.275 -17.995 -14.606 1.00 0.00 C ATOM 1326 OG SER A 85 3.966 -17.840 -15.833 1.00 0.00 O ATOM 0 H SER A 85 1.760 -15.641 -14.278 1.00 0.00 H new ATOM 0 HA SER A 85 1.369 -18.282 -15.540 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.725 -17.352 -13.850 1.00 0.00 H new ATOM 0 HB3 SER A 85 3.380 -19.022 -14.255 1.00 0.00 H new ATOM 0 HG SER A 85 4.912 -18.064 -15.707 1.00 0.00 H new ATOM 1332 N THR A 86 0.988 -19.162 -12.986 1.00 0.00 N ATOM 1333 CA THR A 86 0.413 -19.562 -11.709 1.00 0.00 C ATOM 1334 C THR A 86 1.172 -18.860 -10.580 1.00 0.00 C ATOM 1335 O THR A 86 2.390 -18.687 -10.665 1.00 0.00 O ATOM 1336 CB THR A 86 0.549 -21.093 -11.597 1.00 0.00 C ATOM 1337 OG1 THR A 86 -0.049 -21.704 -12.727 1.00 0.00 O ATOM 1338 CG2 THR A 86 -0.046 -21.700 -10.323 1.00 0.00 C ATOM 0 H THR A 86 1.377 -19.947 -13.509 1.00 0.00 H new ATOM 0 HA THR A 86 -0.638 -19.283 -11.637 1.00 0.00 H new ATOM 0 HB THR A 86 1.620 -21.291 -11.551 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.039 -22.678 -12.657 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.097 -22.780 -10.334 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.452 -21.276 -9.451 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.112 -21.476 -10.276 1.00 0.00 H new ATOM 1346 N VAL A 87 0.473 -18.494 -9.507 1.00 0.00 N ATOM 1347 CA VAL A 87 1.074 -17.935 -8.304 1.00 0.00 C ATOM 1348 C VAL A 87 0.429 -18.610 -7.097 1.00 0.00 C ATOM 1349 O VAL A 87 -0.802 -18.678 -7.023 1.00 0.00 O ATOM 1350 CB VAL A 87 0.861 -16.407 -8.268 1.00 0.00 C ATOM 1351 CG1 VAL A 87 1.469 -15.814 -6.991 1.00 0.00 C ATOM 1352 CG2 VAL A 87 1.489 -15.693 -9.473 1.00 0.00 C ATOM 0 H VAL A 87 -0.542 -18.580 -9.451 1.00 0.00 H new ATOM 0 HA VAL A 87 2.149 -18.116 -8.291 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.217 -16.249 -8.296 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.311 -14.736 -6.980 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.991 -16.260 -6.119 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.538 -16.024 -6.965 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.308 -14.621 -9.395 1.00 0.00 H new ATOM 0 HG22 VAL A 87 2.563 -15.880 -9.488 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.042 -16.070 -10.393 1.00 0.00 H new ATOM 1362 N GLU A 88 1.228 -19.114 -6.155 1.00 0.00 N ATOM 1363 CA GLU A 88 0.711 -19.653 -4.902 1.00 0.00 C ATOM 1364 C GLU A 88 0.562 -18.433 -4.002 1.00 0.00 C ATOM 1365 O GLU A 88 1.488 -18.045 -3.287 1.00 0.00 O ATOM 1366 CB GLU A 88 1.670 -20.695 -4.310 1.00 0.00 C ATOM 1367 CG GLU A 88 1.414 -22.092 -4.879 1.00 0.00 C ATOM 1368 CD GLU A 88 0.126 -22.768 -4.385 1.00 0.00 C ATOM 1369 OE1 GLU A 88 -0.497 -22.323 -3.391 1.00 0.00 O ATOM 1370 OE2 GLU A 88 -0.246 -23.797 -4.992 1.00 0.00 O ATOM 0 H GLU A 88 2.243 -19.159 -6.240 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.235 -20.180 -5.028 1.00 0.00 H new ATOM 0 HB2 GLU A 88 2.699 -20.401 -4.518 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.557 -20.718 -3.226 1.00 0.00 H new ATOM 0 HG2 GLU A 88 1.377 -22.024 -5.966 1.00 0.00 H new ATOM 0 HG3 GLU A 88 2.261 -22.731 -4.628 1.00 0.00 H new ATOM 1377 N LEU A 89 -0.580 -17.758 -4.116 1.00 0.00 N ATOM 1378 CA LEU A 89 -0.859 -16.586 -3.309 1.00 0.00 C ATOM 1379 C LEU A 89 -1.278 -17.049 -1.923 1.00 0.00 C ATOM 1380 O LEU A 89 -2.304 -17.711 -1.779 1.00 0.00 O ATOM 1381 CB LEU A 89 -1.915 -15.698 -3.960 1.00 0.00 C ATOM 1382 CG LEU A 89 -2.441 -14.623 -2.991 1.00 0.00 C ATOM 1383 CD1 LEU A 89 -1.446 -13.662 -2.347 1.00 0.00 C ATOM 1384 CD2 LEU A 89 -3.387 -13.732 -3.757 1.00 0.00 C ATOM 0 H LEU A 89 -1.326 -18.009 -4.764 1.00 0.00 H new ATOM 0 HA LEU A 89 0.038 -15.972 -3.226 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.491 -15.216 -4.841 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.746 -16.315 -4.303 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.858 -15.217 -2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.979 -12.970 -1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.721 -14.227 -1.762 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.927 -13.101 -3.124 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.776 -12.959 -3.094 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.856 -13.265 -4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.214 -14.327 -4.145 1.00 0.00 H new ATOM 1396 N THR A 90 -0.529 -16.655 -0.904 1.00 0.00 N ATOM 1397 CA THR A 90 -0.851 -16.910 0.491 1.00 0.00 C ATOM 1398 C THR A 90 -1.046 -15.557 1.176 1.00 0.00 C ATOM 1399 O THR A 90 -0.471 -14.557 0.743 1.00 0.00 O ATOM 1400 CB THR A 90 0.313 -17.691 1.118 1.00 0.00 C ATOM 1401 OG1 THR A 90 0.839 -18.635 0.198 1.00 0.00 O ATOM 1402 CG2 THR A 90 -0.077 -18.437 2.396 1.00 0.00 C ATOM 0 H THR A 90 0.341 -16.137 -1.028 1.00 0.00 H new ATOM 0 HA THR A 90 -1.761 -17.499 0.601 1.00 0.00 H new ATOM 0 HB THR A 90 1.061 -16.941 1.376 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.580 -19.121 0.616 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.791 -18.968 2.787 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.432 -17.724 3.140 1.00 0.00 H new ATOM 0 HG23 THR A 90 -0.869 -19.152 2.173 1.00 0.00 H new ATOM 1410 N ILE A 91 -1.812 -15.509 2.262 1.00 0.00 N ATOM 1411 CA ILE A 91 -1.973 -14.314 3.084 1.00 0.00 C ATOM 1412 C ILE A 91 -1.439 -14.754 4.445 1.00 0.00 C ATOM 1413 O ILE A 91 -2.096 -15.536 5.138 1.00 0.00 O ATOM 1414 CB ILE A 91 -3.447 -13.833 3.146 1.00 0.00 C ATOM 1415 CG1 ILE A 91 -4.265 -13.946 1.839 1.00 0.00 C ATOM 1416 CG2 ILE A 91 -3.500 -12.392 3.685 1.00 0.00 C ATOM 1417 CD1 ILE A 91 -3.949 -12.918 0.749 1.00 0.00 C ATOM 0 H ILE A 91 -2.345 -16.310 2.600 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.442 -13.450 2.685 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.936 -14.533 3.823 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.111 -14.942 1.424 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.323 -13.865 2.089 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.536 -12.057 3.727 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.068 -12.362 4.685 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.933 -11.735 3.025 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.585 -13.099 -0.117 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -4.133 -11.914 1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.903 -13.008 0.456 1.00 0.00 H new ATOM 1429 N VAL A 92 -0.247 -14.309 4.828 1.00 0.00 N ATOM 1430 CA VAL A 92 0.384 -14.686 6.091 1.00 0.00 C ATOM 1431 C VAL A 92 0.214 -13.501 7.041 1.00 0.00 C ATOM 1432 O VAL A 92 0.066 -12.372 6.577 1.00 0.00 O ATOM 1433 CB VAL A 92 1.852 -15.127 5.872 1.00 0.00 C ATOM 1434 CG1 VAL A 92 1.955 -16.264 4.843 1.00 0.00 C ATOM 1435 CG2 VAL A 92 2.793 -14.001 5.423 1.00 0.00 C ATOM 0 H VAL A 92 0.315 -13.670 4.266 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.089 -15.560 6.539 1.00 0.00 H new ATOM 0 HB VAL A 92 2.174 -15.462 6.858 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.000 -16.546 4.716 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.387 -17.125 5.194 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.551 -15.928 3.888 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.800 -14.398 5.294 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.441 -13.588 4.477 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.807 -13.216 6.179 1.00 0.00 H new ATOM 1445 N GLU A 93 0.203 -13.725 8.352 1.00 0.00 N ATOM 1446 CA GLU A 93 0.034 -12.638 9.306 1.00 0.00 C ATOM 1447 C GLU A 93 1.409 -12.172 9.760 1.00 0.00 C ATOM 1448 O GLU A 93 2.262 -12.995 10.095 1.00 0.00 O ATOM 1449 CB GLU A 93 -0.797 -13.132 10.495 1.00 0.00 C ATOM 1450 CG GLU A 93 -1.059 -12.036 11.543 1.00 0.00 C ATOM 1451 CD GLU A 93 -1.983 -12.502 12.673 1.00 0.00 C ATOM 1452 OE1 GLU A 93 -2.297 -13.712 12.757 1.00 0.00 O ATOM 1453 OE2 GLU A 93 -2.442 -11.636 13.457 1.00 0.00 O ATOM 0 H GLU A 93 0.309 -14.647 8.775 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.491 -11.801 8.846 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.751 -13.514 10.131 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -0.280 -13.966 10.971 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.109 -11.711 11.968 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.502 -11.169 11.052 1.00 0.00 H new ATOM 1460 N ASP A 94 1.633 -10.866 9.756 1.00 0.00 N ATOM 1461 CA ASP A 94 2.820 -10.202 10.278 1.00 0.00 C ATOM 1462 C ASP A 94 2.325 -8.921 10.952 1.00 0.00 C ATOM 1463 O ASP A 94 1.157 -8.561 10.837 1.00 0.00 O ATOM 1464 CB ASP A 94 3.835 -9.936 9.158 1.00 0.00 C ATOM 1465 CG ASP A 94 5.088 -9.191 9.634 1.00 0.00 C ATOM 1466 OD1 ASP A 94 5.509 -9.328 10.809 1.00 0.00 O ATOM 1467 OD2 ASP A 94 5.612 -8.392 8.825 1.00 0.00 O ATOM 0 H ASP A 94 0.958 -10.207 9.369 1.00 0.00 H new ATOM 0 HA ASP A 94 3.352 -10.821 11.000 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.133 -10.886 8.715 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.353 -9.355 8.372 1.00 0.00 H new ATOM 1472 N ASP A 95 3.166 -8.233 11.707 1.00 0.00 N ATOM 1473 CA ASP A 95 2.870 -6.951 12.307 1.00 0.00 C ATOM 1474 C ASP A 95 4.051 -5.988 12.296 1.00 0.00 C ATOM 1475 O ASP A 95 3.850 -4.802 12.558 1.00 0.00 O ATOM 1476 CB ASP A 95 2.422 -7.188 13.744 1.00 0.00 C ATOM 1477 CG ASP A 95 3.582 -7.301 14.729 1.00 0.00 C ATOM 1478 OD1 ASP A 95 4.434 -8.204 14.562 1.00 0.00 O ATOM 1479 OD2 ASP A 95 3.604 -6.549 15.728 1.00 0.00 O ATOM 0 H ASP A 95 4.105 -8.567 11.924 1.00 0.00 H new ATOM 0 HA ASP A 95 2.086 -6.482 11.712 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.771 -6.371 14.053 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.829 -8.102 13.786 1.00 0.00 H new ATOM 1522 N VAL A 99 8.435 -3.613 6.519 1.00 0.00 N ATOM 1523 CA VAL A 99 8.064 -3.304 5.153 1.00 0.00 C ATOM 1524 C VAL A 99 6.784 -2.482 5.185 1.00 0.00 C ATOM 1525 O VAL A 99 5.883 -2.699 6.006 1.00 0.00 O ATOM 1526 CB VAL A 99 7.976 -4.579 4.293 1.00 0.00 C ATOM 1527 CG1 VAL A 99 7.819 -4.246 2.802 1.00 0.00 C ATOM 1528 CG2 VAL A 99 9.211 -5.485 4.437 1.00 0.00 C ATOM 0 HA VAL A 99 8.834 -2.704 4.667 1.00 0.00 H new ATOM 0 HB VAL A 99 7.097 -5.107 4.663 1.00 0.00 H new ATOM 0 HG11 VAL A 99 7.760 -5.170 2.227 1.00 0.00 H new ATOM 0 HG12 VAL A 99 6.908 -3.667 2.652 1.00 0.00 H new ATOM 0 HG13 VAL A 99 8.678 -3.664 2.467 1.00 0.00 H new ATOM 0 HG21 VAL A 99 9.091 -6.367 3.808 1.00 0.00 H new ATOM 0 HG22 VAL A 99 10.102 -4.938 4.128 1.00 0.00 H new ATOM 0 HG23 VAL A 99 9.317 -5.793 5.477 1.00 0.00 H new ATOM 1538 N ARG A 100 6.758 -1.479 4.311 1.00 0.00 N ATOM 1539 CA ARG A 100 5.666 -0.544 4.144 1.00 0.00 C ATOM 1540 C ARG A 100 4.699 -1.223 3.178 1.00 0.00 C ATOM 1541 O ARG A 100 5.112 -1.671 2.105 1.00 0.00 O ATOM 1542 CB ARG A 100 6.184 0.796 3.584 1.00 0.00 C ATOM 1543 CG ARG A 100 7.399 1.446 4.284 1.00 0.00 C ATOM 1544 CD ARG A 100 8.760 0.811 3.918 1.00 0.00 C ATOM 1545 NE ARG A 100 9.895 1.675 4.278 1.00 0.00 N ATOM 1546 CZ ARG A 100 11.172 1.538 3.894 1.00 0.00 C ATOM 1547 NH1 ARG A 100 11.581 0.509 3.162 1.00 0.00 N ATOM 1548 NH2 ARG A 100 12.069 2.439 4.254 1.00 0.00 N ATOM 0 H ARG A 100 7.534 -1.294 3.676 1.00 0.00 H new ATOM 0 HA ARG A 100 5.176 -0.306 5.088 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.443 0.644 2.536 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.361 1.510 3.609 1.00 0.00 H new ATOM 0 HG2 ARG A 100 7.426 2.506 4.030 1.00 0.00 H new ATOM 0 HG3 ARG A 100 7.259 1.381 5.363 1.00 0.00 H new ATOM 0 HD2 ARG A 100 8.860 -0.147 4.428 1.00 0.00 H new ATOM 0 HD3 ARG A 100 8.787 0.607 2.848 1.00 0.00 H new ATOM 0 HE ARG A 100 9.687 2.466 4.887 1.00 0.00 H new ATOM 0 HH11 ARG A 100 10.916 -0.209 2.874 1.00 0.00 H new ATOM 0 HH12 ARG A 100 12.561 0.436 2.887 1.00 0.00 H new ATOM 0 HH21 ARG A 100 11.789 3.238 4.824 1.00 0.00 H new ATOM 0 HH22 ARG A 100 13.041 2.336 3.962 1.00 0.00 H new ATOM 1562 N THR A 101 3.441 -1.352 3.570 1.00 0.00 N ATOM 1563 CA THR A 101 2.381 -1.866 2.712 1.00 0.00 C ATOM 1564 C THR A 101 2.143 -0.835 1.588 1.00 0.00 C ATOM 1565 O THR A 101 2.631 0.291 1.716 1.00 0.00 O ATOM 1566 CB THR A 101 1.159 -2.098 3.617 1.00 0.00 C ATOM 1567 OG1 THR A 101 0.744 -0.868 4.189 1.00 0.00 O ATOM 1568 CG2 THR A 101 1.466 -3.065 4.773 1.00 0.00 C ATOM 0 H THR A 101 3.122 -1.100 4.505 1.00 0.00 H new ATOM 0 HA THR A 101 2.621 -2.811 2.224 1.00 0.00 H new ATOM 0 HB THR A 101 0.380 -2.530 2.988 1.00 0.00 H new ATOM 0 HG1 THR A 101 -0.035 -1.021 4.763 1.00 0.00 H new ATOM 0 HG21 THR A 101 0.573 -3.197 5.384 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.775 -4.029 4.369 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.268 -2.655 5.387 1.00 0.00 H new ATOM 1576 N PRO A 102 1.394 -1.107 0.504 1.00 0.00 N ATOM 1577 CA PRO A 102 1.188 -0.096 -0.530 1.00 0.00 C ATOM 1578 C PRO A 102 0.293 1.034 -0.001 1.00 0.00 C ATOM 1579 O PRO A 102 0.322 2.149 -0.527 1.00 0.00 O ATOM 1580 CB PRO A 102 0.609 -0.834 -1.731 1.00 0.00 C ATOM 1581 CG PRO A 102 -0.093 -2.024 -1.108 1.00 0.00 C ATOM 1582 CD PRO A 102 0.696 -2.333 0.167 1.00 0.00 C ATOM 0 HA PRO A 102 2.112 0.399 -0.827 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -0.084 -0.207 -2.292 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.389 -1.146 -2.425 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -1.134 -1.793 -0.881 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -0.097 -2.878 -1.785 1.00 0.00 H new ATOM 0 HD2 PRO A 102 0.031 -2.639 0.974 1.00 0.00 H new ATOM 0 HD3 PRO A 102 1.398 -3.151 0.004 1.00 0.00 H new ATOM 1590 N LEU A 103 -0.511 0.762 1.037 1.00 0.00 N ATOM 1591 CA LEU A 103 -1.304 1.766 1.728 1.00 0.00 C ATOM 1592 C LEU A 103 -0.325 2.682 2.440 1.00 0.00 C ATOM 1593 O LEU A 103 -0.417 3.903 2.306 1.00 0.00 O ATOM 1594 CB LEU A 103 -2.250 1.076 2.723 1.00 0.00 C ATOM 1595 CG LEU A 103 -3.172 1.997 3.549 1.00 0.00 C ATOM 1596 CD1 LEU A 103 -4.429 1.217 3.951 1.00 0.00 C ATOM 1597 CD2 LEU A 103 -2.507 2.501 4.838 1.00 0.00 C ATOM 0 H LEU A 103 -0.624 -0.177 1.419 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.921 2.342 1.039 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.875 0.375 2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.647 0.488 3.415 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.405 2.858 2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.086 1.861 4.535 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.952 0.883 3.055 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.144 0.351 4.549 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.202 3.144 5.378 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.237 1.651 5.465 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.609 3.066 4.587 1.00 0.00 H new ATOM 1609 N GLU A 104 0.606 2.106 3.201 1.00 0.00 N ATOM 1610 CA GLU A 104 1.566 2.879 3.964 1.00 0.00 C ATOM 1611 C GLU A 104 2.595 3.555 3.077 1.00 0.00 C ATOM 1612 O GLU A 104 3.066 4.612 3.460 1.00 0.00 O ATOM 1613 CB GLU A 104 2.276 2.005 4.989 1.00 0.00 C ATOM 1614 CG GLU A 104 1.344 1.749 6.172 1.00 0.00 C ATOM 1615 CD GLU A 104 1.948 0.820 7.217 1.00 0.00 C ATOM 1616 OE1 GLU A 104 3.178 0.569 7.252 1.00 0.00 O ATOM 1617 OE2 GLU A 104 1.156 0.310 8.038 1.00 0.00 O ATOM 0 H GLU A 104 0.710 1.096 3.301 1.00 0.00 H new ATOM 0 HA GLU A 104 1.000 3.656 4.478 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.572 1.060 4.534 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.188 2.494 5.330 1.00 0.00 H new ATOM 0 HG2 GLU A 104 1.093 2.700 6.642 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.412 1.318 5.806 1.00 0.00 H new ATOM 1624 N TRP A 105 2.932 3.033 1.900 1.00 0.00 N ATOM 1625 CA TRP A 105 3.856 3.718 1.001 1.00 0.00 C ATOM 1626 C TRP A 105 3.326 5.111 0.630 1.00 0.00 C ATOM 1627 O TRP A 105 4.102 6.063 0.604 1.00 0.00 O ATOM 1628 CB TRP A 105 4.205 2.839 -0.204 1.00 0.00 C ATOM 1629 CG TRP A 105 5.456 2.033 -0.040 1.00 0.00 C ATOM 1630 CD1 TRP A 105 5.545 0.688 -0.037 1.00 0.00 C ATOM 1631 CD2 TRP A 105 6.823 2.514 0.105 1.00 0.00 C ATOM 1632 NE1 TRP A 105 6.867 0.299 0.075 1.00 0.00 N ATOM 1633 CE2 TRP A 105 7.697 1.393 0.217 1.00 0.00 C ATOM 1634 CE3 TRP A 105 7.414 3.795 0.117 1.00 0.00 C ATOM 1635 CZ2 TRP A 105 9.085 1.544 0.372 1.00 0.00 C ATOM 1636 CZ3 TRP A 105 8.807 3.956 0.235 1.00 0.00 C ATOM 1637 CH2 TRP A 105 9.642 2.835 0.384 1.00 0.00 C ATOM 0 H TRP A 105 2.581 2.142 1.548 1.00 0.00 H new ATOM 0 HA TRP A 105 4.799 3.889 1.520 1.00 0.00 H new ATOM 0 HB2 TRP A 105 3.373 2.161 -0.397 1.00 0.00 H new ATOM 0 HB3 TRP A 105 4.309 3.474 -1.084 1.00 0.00 H new ATOM 0 HD1 TRP A 105 4.706 0.012 -0.111 1.00 0.00 H new ATOM 0 HE1 TRP A 105 7.187 -0.669 0.055 1.00 0.00 H new ATOM 0 HE3 TRP A 105 6.785 4.669 0.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 9.719 0.676 0.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 9.237 4.946 0.211 1.00 0.00 H new ATOM 0 HH2 TRP A 105 10.707 2.965 0.507 1.00 0.00 H new ATOM 1648 N ARG A 106 2.011 5.270 0.420 1.00 0.00 N ATOM 1649 CA ARG A 106 1.392 6.584 0.196 1.00 0.00 C ATOM 1650 C ARG A 106 1.703 7.494 1.391 1.00 0.00 C ATOM 1651 O ARG A 106 2.194 8.608 1.225 1.00 0.00 O ATOM 1652 CB ARG A 106 -0.126 6.396 -0.016 1.00 0.00 C ATOM 1653 CG ARG A 106 -0.930 7.700 -0.142 1.00 0.00 C ATOM 1654 CD ARG A 106 -2.450 7.527 0.007 1.00 0.00 C ATOM 1655 NE ARG A 106 -3.115 6.987 -1.190 1.00 0.00 N ATOM 1656 CZ ARG A 106 -3.318 5.700 -1.507 1.00 0.00 C ATOM 1657 NH1 ARG A 106 -2.743 4.720 -0.819 1.00 0.00 N ATOM 1658 NH2 ARG A 106 -4.087 5.395 -2.541 1.00 0.00 N ATOM 0 H ARG A 106 1.349 4.494 0.401 1.00 0.00 H new ATOM 0 HA ARG A 106 1.796 7.060 -0.698 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -0.281 5.803 -0.917 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.526 5.819 0.818 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -0.581 8.402 0.615 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.721 8.149 -1.113 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.648 6.864 0.849 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.892 8.493 0.250 1.00 0.00 H new ATOM 0 HE ARG A 106 -3.463 7.674 -1.859 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.133 4.940 -0.032 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.912 3.748 -1.078 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.521 6.137 -3.091 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -4.246 4.418 -2.788 1.00 0.00 H new ATOM 1672 N GLN A 107 1.413 7.005 2.597 1.00 0.00 N ATOM 1673 CA GLN A 107 1.620 7.706 3.859 1.00 0.00 C ATOM 1674 C GLN A 107 3.104 8.034 4.067 1.00 0.00 C ATOM 1675 O GLN A 107 3.433 9.106 4.568 1.00 0.00 O ATOM 1676 CB GLN A 107 1.048 6.825 4.985 1.00 0.00 C ATOM 1677 CG GLN A 107 1.202 7.408 6.394 1.00 0.00 C ATOM 1678 CD GLN A 107 0.598 6.500 7.470 1.00 0.00 C ATOM 1679 OE1 GLN A 107 0.644 5.271 7.390 1.00 0.00 O ATOM 1680 NE2 GLN A 107 0.022 7.067 8.514 1.00 0.00 N ATOM 0 H GLN A 107 1.013 6.075 2.724 1.00 0.00 H new ATOM 0 HA GLN A 107 1.101 8.665 3.857 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.011 6.653 4.791 1.00 0.00 H new ATOM 0 HB3 GLN A 107 1.540 5.853 4.953 1.00 0.00 H new ATOM 0 HG2 GLN A 107 2.260 7.564 6.606 1.00 0.00 H new ATOM 0 HG3 GLN A 107 0.721 8.385 6.435 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -0.018 8.084 8.584 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -0.383 6.488 9.250 1.00 0.00 H new ATOM 1689 N ALA A 108 3.999 7.135 3.667 1.00 0.00 N ATOM 1690 CA ALA A 108 5.428 7.261 3.838 1.00 0.00 C ATOM 1691 C ALA A 108 5.956 8.395 2.974 1.00 0.00 C ATOM 1692 O ALA A 108 6.694 9.235 3.485 1.00 0.00 O ATOM 1693 CB ALA A 108 6.121 5.941 3.487 1.00 0.00 C ATOM 0 H ALA A 108 3.730 6.270 3.198 1.00 0.00 H new ATOM 0 HA ALA A 108 5.644 7.492 4.881 1.00 0.00 H new ATOM 0 HB1 ALA A 108 7.198 6.049 3.620 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.752 5.151 4.141 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.907 5.683 2.450 1.00 0.00 H new ATOM 1699 N ILE A 109 5.560 8.435 1.694 1.00 0.00 N ATOM 1700 CA ILE A 109 5.903 9.547 0.810 1.00 0.00 C ATOM 1701 C ILE A 109 5.312 10.834 1.409 1.00 0.00 C ATOM 1702 O ILE A 109 5.935 11.888 1.307 1.00 0.00 O ATOM 1703 CB ILE A 109 5.455 9.257 -0.653 1.00 0.00 C ATOM 1704 CG1 ILE A 109 6.531 8.511 -1.475 1.00 0.00 C ATOM 1705 CG2 ILE A 109 5.184 10.524 -1.479 1.00 0.00 C ATOM 1706 CD1 ILE A 109 6.735 7.051 -1.098 1.00 0.00 C ATOM 0 H ILE A 109 5.001 7.706 1.251 1.00 0.00 H new ATOM 0 HA ILE A 109 6.983 9.678 0.744 1.00 0.00 H new ATOM 0 HB ILE A 109 4.551 8.666 -0.508 1.00 0.00 H new ATOM 0 HG12 ILE A 109 6.261 8.563 -2.530 1.00 0.00 H new ATOM 0 HG13 ILE A 109 7.480 9.035 -1.362 1.00 0.00 H new ATOM 0 HG21 ILE A 109 4.877 10.243 -2.486 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.391 11.104 -1.006 1.00 0.00 H new ATOM 0 HG23 ILE A 109 6.092 11.125 -1.531 1.00 0.00 H new ATOM 0 HD11 ILE A 109 7.509 6.617 -1.731 1.00 0.00 H new ATOM 0 HD12 ILE A 109 7.040 6.984 -0.054 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.802 6.505 -1.239 1.00 0.00 H new ATOM 1718 N TYR A 110 4.143 10.779 2.059 1.00 0.00 N ATOM 1719 CA TYR A 110 3.561 11.974 2.651 1.00 0.00 C ATOM 1720 C TYR A 110 4.465 12.507 3.744 1.00 0.00 C ATOM 1721 O TYR A 110 4.788 13.693 3.747 1.00 0.00 O ATOM 1722 CB TYR A 110 2.153 11.716 3.210 1.00 0.00 C ATOM 1723 CG TYR A 110 1.222 12.915 3.349 1.00 0.00 C ATOM 1724 CD1 TYR A 110 1.359 14.072 2.551 1.00 0.00 C ATOM 1725 CD2 TYR A 110 0.152 12.830 4.261 1.00 0.00 C ATOM 1726 CE1 TYR A 110 0.399 15.095 2.607 1.00 0.00 C ATOM 1727 CE2 TYR A 110 -0.805 13.858 4.338 1.00 0.00 C ATOM 1728 CZ TYR A 110 -0.702 14.977 3.479 1.00 0.00 C ATOM 1729 OH TYR A 110 -1.659 15.944 3.503 1.00 0.00 O ATOM 0 H TYR A 110 3.593 9.929 2.184 1.00 0.00 H new ATOM 0 HA TYR A 110 3.467 12.718 1.860 1.00 0.00 H new ATOM 0 HB2 TYR A 110 1.665 10.983 2.567 1.00 0.00 H new ATOM 0 HB3 TYR A 110 2.260 11.257 4.193 1.00 0.00 H new ATOM 0 HD1 TYR A 110 2.209 14.171 1.892 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.066 11.968 4.906 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.504 15.970 1.983 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -1.615 13.793 5.050 1.00 0.00 H new ATOM 0 HH TYR A 110 -2.347 15.707 4.159 1.00 0.00 H new