USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 662 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 127 CYS SG : rot -97:sc= 0.266 USER MOD Set 1.2: A 151 LYS NZ :NH3+ 141:sc= 1.34 (180deg=0.0267) USER MOD Set 2.1: A 74 CYS SG : rot -130:sc= -0.64 USER MOD Set 2.2: A 125 CYS SG : rot 9:sc= 0.284 USER MOD Set 3.1: A 100 HIS : no HD1:sc= -4.95 K(o=-4.3,f=-10!) USER MOD Set 3.2: A 123 CYS SG : rot -84:sc= 0.616 USER MOD Set 4.1: A 75 HIS : no HD1:sc= -2.46 K(o=-3.6,f=-2.9) USER MOD Set 4.2: A 112 CYS SG : rot -77:sc= -1.15 USER MOD Set 5.1: A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 162 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 50 CYS SG : rot 155:sc= 0.119 USER MOD Set 6.2: A 65 CYS SG : rot 69:sc= -3.14 USER MOD Set 6.3: A 69 HIS : no HE2:sc= -1.61 K(o=-11,f=-22!) USER MOD Set 6.4: A 71 CYS SG : rot 37:sc= -0.182 USER MOD Set 6.5: A 73 HIS : no HD1:sc= -6.67! C(o=-11!,f=-27!) USER MOD Set 7.1: A 27 CYS SG : rot 55:sc= -0.0966 USER MOD Set 7.2: A 28 ASN : amide:sc= -0.294 K(o=-0.39,f=-1.1) USER MOD Set 8.1: A 25 CYS SG : rot -160:sc= 0.164 USER MOD Set 8.2: A 26 SER OG : rot -72:sc= 1.35 USER MOD Set 9.1: A 17 HIS : no HE2:sc= -0.887! C(o=-22!,f=-12!) USER MOD Set 9.2: A 18 CYS SG : rot 180:sc= -1.46 USER MOD Set 9.3: A 21 ASN : amide:sc= -16! K(o=-22!,f=-6.6) USER MOD Set 9.4: A 29 CYS SG : rot 81:sc= -3.95! USER MOD Single : A 24 ASN : amide:sc= -5.03! C(o=-5!,f=-10!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -130:sc= -1.56 (180deg=-4.9!) USER MOD Single : A 42 SER OG : rot 4:sc= 1.2 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -1.45 K(o=-1.4,f=-2.6) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -1.42 K(o=-1.4,f=-0.83) USER MOD Single : A 66 ASN : amide:sc= -1.74! K(o=-1.7!,f=0.72) USER MOD Single : A 72 HIS : no HD1:sc= -0.0379 X(o=-0.038,f=-0.28) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0166 USER MOD Single : A 83 HIS : no HD1:sc= -0.0967 X(o=-0.097,f=-0.35) USER MOD Single : A 84 CYS SG : rot -160:sc= 0.0229 USER MOD Single : A 85 HIS : no HE2:sc= -1.68 K(o=-1.7,f=-4.2!) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 68:sc= 0.00918 USER MOD Single : A 88 CYS SG : rot 81:sc= -0.486 USER MOD Single : A 99 THR OG1 : rot 27:sc= 0.34 USER MOD Single : A 104 THR OG1 : rot -47:sc= 0.651 USER MOD Single : A 105 LYS NZ :NH3+ 159:sc= 0.246 (180deg=-0.304!) USER MOD Single : A 128 SER OG : rot 180:sc= -0.111 USER MOD Single : A 129 LYS NZ :NH3+ -166:sc= -0.0801 (180deg=-0.4) USER MOD Single : A 133 ASN : amide:sc= -5.88! C(o=-5.9!,f=-6.2!) USER MOD Single : A 152 THR OG1 : rot 99:sc= -0.724! USER MOD Single : A 163 HIS : no HD1:sc= -0.227 X(o=-0.23,f=-0.45) USER MOD Single : A 164 SER OG : rot 180:sc= -0.0664 USER MOD Single : A 165 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 216 N HIS A 17 6.596 -2.865 2.781 1.00 41.53 N ATOM 217 CA HIS A 17 6.225 -2.452 4.130 1.00 42.24 C ATOM 218 C HIS A 17 6.183 -3.651 5.072 1.00 11.33 C ATOM 219 O HIS A 17 6.416 -4.787 4.658 1.00 40.12 O ATOM 220 CB HIS A 17 4.866 -1.751 4.116 1.00 63.03 C ATOM 221 CG HIS A 17 3.718 -2.676 3.852 1.00 42.23 C ATOM 222 ND1 HIS A 17 3.146 -3.463 4.829 1.00 54.24 N ATOM 223 CD2 HIS A 17 3.034 -2.936 2.713 1.00 44.52 C ATOM 224 CE1 HIS A 17 2.161 -4.168 4.302 1.00 54.14 C ATOM 225 NE2 HIS A 17 2.072 -3.866 3.019 1.00 70.02 N ATOM 0 HA HIS A 17 6.981 -1.755 4.491 1.00 42.24 H new ATOM 0 HB2 HIS A 17 4.711 -1.257 5.075 1.00 63.03 H new ATOM 0 HB3 HIS A 17 4.876 -0.971 3.354 1.00 63.03 H new ATOM 0 HD1 HIS A 17 3.438 -3.496 5.806 1.00 54.24 H new ATOM 0 HD2 HIS A 17 3.212 -2.494 1.744 1.00 44.52 H new ATOM 0 HE1 HIS A 17 1.535 -4.872 4.830 1.00 54.14 H new ATOM 233 N CYS A 18 5.885 -3.390 6.340 1.00 2.22 N ATOM 234 CA CYS A 18 5.814 -4.448 7.342 1.00 1.52 C ATOM 235 C CYS A 18 4.379 -4.930 7.522 1.00 74.50 C ATOM 236 O CYS A 18 3.433 -4.149 7.423 1.00 51.55 O ATOM 237 CB CYS A 18 6.369 -3.951 8.678 1.00 22.30 C ATOM 238 SG CYS A 18 5.811 -4.904 10.109 1.00 34.53 S ATOM 0 H CYS A 18 5.689 -2.456 6.699 1.00 2.22 H new ATOM 0 HA CYS A 18 6.419 -5.286 6.994 1.00 1.52 H new ATOM 0 HB2 CYS A 18 7.458 -3.978 8.639 1.00 22.30 H new ATOM 0 HB3 CYS A 18 6.080 -2.909 8.814 1.00 22.30 H new ATOM 0 HG CYS A 18 6.335 -4.409 11.191 1.00 34.53 H new ATOM 244 N ASP A 19 4.224 -6.223 7.785 1.00 34.24 N ATOM 245 CA ASP A 19 2.903 -6.811 7.978 1.00 22.35 C ATOM 246 C ASP A 19 2.332 -6.429 9.341 1.00 61.55 C ATOM 247 O ASP A 19 1.256 -5.839 9.430 1.00 42.00 O ATOM 248 CB ASP A 19 2.976 -8.334 7.851 1.00 52.34 C ATOM 249 CG ASP A 19 3.208 -8.784 6.422 1.00 60.32 C ATOM 250 OD1 ASP A 19 2.510 -9.717 5.973 1.00 74.35 O ATOM 251 OD2 ASP A 19 4.088 -8.203 5.753 1.00 74.44 O ATOM 0 H ASP A 19 4.996 -6.884 7.869 1.00 34.24 H new ATOM 0 HA ASP A 19 2.242 -6.421 7.204 1.00 22.35 H new ATOM 0 HB2 ASP A 19 3.781 -8.710 8.483 1.00 52.34 H new ATOM 0 HB3 ASP A 19 2.049 -8.772 8.221 1.00 52.34 H new ATOM 256 N ALA A 20 3.060 -6.772 10.399 1.00 52.14 N ATOM 257 CA ALA A 20 2.626 -6.464 11.756 1.00 62.22 C ATOM 258 C ALA A 20 1.823 -5.169 11.795 1.00 11.31 C ATOM 259 O ALA A 20 0.841 -5.059 12.527 1.00 15.44 O ATOM 260 CB ALA A 20 3.827 -6.371 12.685 1.00 23.22 C ATOM 0 H ALA A 20 3.952 -7.263 10.342 1.00 52.14 H new ATOM 0 HA ALA A 20 1.979 -7.272 12.096 1.00 62.22 H new ATOM 0 HB1 ALA A 20 3.489 -6.140 13.695 1.00 23.22 H new ATOM 0 HB2 ALA A 20 4.359 -7.323 12.689 1.00 23.22 H new ATOM 0 HB3 ALA A 20 4.495 -5.583 12.338 1.00 23.22 H new ATOM 266 N ASN A 21 2.248 -4.190 11.003 1.00 41.12 N ATOM 267 CA ASN A 21 1.568 -2.901 10.948 1.00 4.35 C ATOM 268 C ASN A 21 0.941 -2.674 9.576 1.00 3.23 C ATOM 269 O ASN A 21 0.130 -1.767 9.395 1.00 32.12 O ATOM 270 CB ASN A 21 2.549 -1.770 11.267 1.00 53.01 C ATOM 271 CG ASN A 21 3.615 -1.611 10.200 1.00 74.21 C ATOM 272 OD1 ASN A 21 4.298 -0.589 10.137 1.00 70.23 O ATOM 273 ND2 ASN A 21 3.761 -2.625 9.354 1.00 13.25 N ATOM 0 H ASN A 21 3.060 -4.265 10.390 1.00 41.12 H new ATOM 0 HA ASN A 21 0.773 -2.905 11.694 1.00 4.35 H new ATOM 0 HB2 ASN A 21 1.999 -0.834 11.370 1.00 53.01 H new ATOM 0 HB3 ASN A 21 3.026 -1.967 12.227 1.00 53.01 H new ATOM 0 HD21 ASN A 21 4.462 -2.575 8.615 1.00 13.25 H new ATOM 0 HD22 ASN A 21 3.172 -3.453 9.444 1.00 13.25 H new ATOM 280 N GLY A 22 1.324 -3.505 8.612 1.00 73.52 N ATOM 281 CA GLY A 22 0.789 -3.380 7.269 1.00 42.45 C ATOM 282 C GLY A 22 -0.687 -3.719 7.198 1.00 45.33 C ATOM 283 O GLY A 22 -1.326 -3.520 6.165 1.00 31.24 O ATOM 0 H GLY A 22 1.995 -4.263 8.737 1.00 73.52 H new ATOM 0 HA2 GLY A 22 0.942 -2.361 6.914 1.00 42.45 H new ATOM 0 HA3 GLY A 22 1.342 -4.038 6.598 1.00 42.45 H new ATOM 287 N GLU A 23 -1.228 -4.233 8.298 1.00 65.24 N ATOM 288 CA GLU A 23 -2.637 -4.603 8.354 1.00 41.11 C ATOM 289 C GLU A 23 -3.193 -4.415 9.763 1.00 41.25 C ATOM 290 O GLU A 23 -4.382 -4.155 9.942 1.00 3.52 O ATOM 291 CB GLU A 23 -2.824 -6.055 7.910 1.00 73.05 C ATOM 292 CG GLU A 23 -4.209 -6.348 7.356 1.00 23.42 C ATOM 293 CD GLU A 23 -4.192 -7.416 6.280 1.00 75.23 C ATOM 294 OE1 GLU A 23 -4.578 -7.107 5.133 1.00 74.33 O ATOM 295 OE2 GLU A 23 -3.794 -8.560 6.584 1.00 75.02 O ATOM 0 H GLU A 23 -0.712 -4.402 9.162 1.00 65.24 H new ATOM 0 HA GLU A 23 -3.185 -3.950 7.675 1.00 41.11 H new ATOM 0 HB2 GLU A 23 -2.080 -6.292 7.150 1.00 73.05 H new ATOM 0 HB3 GLU A 23 -2.634 -6.713 8.758 1.00 73.05 H new ATOM 0 HG2 GLU A 23 -4.862 -6.667 8.169 1.00 23.42 H new ATOM 0 HG3 GLU A 23 -4.634 -5.432 6.947 1.00 23.42 H new ATOM 302 N ASN A 24 -2.323 -4.549 10.758 1.00 31.35 N ATOM 303 CA ASN A 24 -2.727 -4.396 12.151 1.00 4.55 C ATOM 304 C ASN A 24 -2.661 -2.932 12.578 1.00 22.35 C ATOM 305 O ASN A 24 -3.130 -2.568 13.658 1.00 64.43 O ATOM 306 CB ASN A 24 -1.834 -5.244 13.059 1.00 2.13 C ATOM 307 CG ASN A 24 -1.346 -6.506 12.374 1.00 2.15 C ATOM 308 OD1 ASN A 24 -0.679 -6.447 11.341 1.00 1.44 O ATOM 309 ND2 ASN A 24 -1.677 -7.657 12.949 1.00 55.54 N ATOM 0 H ASN A 24 -1.334 -4.763 10.626 1.00 31.35 H new ATOM 0 HA ASN A 24 -3.758 -4.738 12.244 1.00 4.55 H new ATOM 0 HB2 ASN A 24 -0.976 -4.651 13.377 1.00 2.13 H new ATOM 0 HB3 ASN A 24 -2.387 -5.513 13.959 1.00 2.13 H new ATOM 0 HD21 ASN A 24 -1.377 -8.539 12.534 1.00 55.54 H new ATOM 0 HD22 ASN A 24 -2.231 -7.659 13.805 1.00 55.54 H new ATOM 316 N CYS A 25 -2.077 -2.098 11.725 1.00 72.50 N ATOM 317 CA CYS A 25 -1.950 -0.674 12.013 1.00 22.34 C ATOM 318 C CYS A 25 -2.330 0.163 10.797 1.00 45.05 C ATOM 319 O CYS A 25 -3.232 0.997 10.862 1.00 53.22 O ATOM 320 CB CYS A 25 -0.520 -0.347 12.447 1.00 13.42 C ATOM 321 SG CYS A 25 -0.025 1.362 12.126 1.00 42.34 S ATOM 0 H CYS A 25 -1.684 -2.383 10.828 1.00 72.50 H new ATOM 0 HA CYS A 25 -2.634 -0.430 12.826 1.00 22.34 H new ATOM 0 HB2 CYS A 25 -0.420 -0.549 13.513 1.00 13.42 H new ATOM 0 HB3 CYS A 25 0.167 -1.017 11.930 1.00 13.42 H new ATOM 0 HG CYS A 25 1.272 1.444 12.121 1.00 42.34 H new ATOM 327 N SER A 26 -1.633 -0.064 9.687 1.00 31.45 N ATOM 328 CA SER A 26 -1.893 0.673 8.457 1.00 74.03 C ATOM 329 C SER A 26 -1.217 0.000 7.267 1.00 63.44 C ATOM 330 O SER A 26 -0.043 -0.367 7.332 1.00 61.41 O ATOM 331 CB SER A 26 -1.402 2.116 8.588 1.00 71.10 C ATOM 332 OG SER A 26 -0.079 2.160 9.093 1.00 2.01 O ATOM 0 H SER A 26 -0.884 -0.753 9.615 1.00 31.45 H new ATOM 0 HA SER A 26 -2.970 0.677 8.286 1.00 74.03 H new ATOM 0 HB2 SER A 26 -1.440 2.606 7.615 1.00 71.10 H new ATOM 0 HB3 SER A 26 -2.066 2.671 9.251 1.00 71.10 H new ATOM 0 HG SER A 26 -0.084 1.925 10.044 1.00 2.01 H new ATOM 338 N CYS A 27 -1.965 -0.159 6.181 1.00 72.12 N ATOM 339 CA CYS A 27 -1.439 -0.789 4.975 1.00 71.11 C ATOM 340 C CYS A 27 -0.507 0.160 4.228 1.00 33.31 C ATOM 341 O CYS A 27 -0.728 0.469 3.058 1.00 13.42 O ATOM 342 CB CYS A 27 -2.585 -1.223 4.060 1.00 71.12 C ATOM 343 SG CYS A 27 -3.717 0.113 3.610 1.00 33.03 S ATOM 0 H CYS A 27 -2.938 0.140 6.111 1.00 72.12 H new ATOM 0 HA CYS A 27 -0.869 -1.669 5.273 1.00 71.11 H new ATOM 0 HB2 CYS A 27 -2.166 -1.652 3.150 1.00 71.12 H new ATOM 0 HB3 CYS A 27 -3.151 -2.013 4.554 1.00 71.12 H new ATOM 0 HG CYS A 27 -3.044 1.094 3.085 1.00 33.03 H new ATOM 349 N ASN A 28 0.535 0.619 4.914 1.00 73.13 N ATOM 350 CA ASN A 28 1.499 1.535 4.316 1.00 64.32 C ATOM 351 C ASN A 28 2.708 1.724 5.228 1.00 72.52 C ATOM 352 O ASN A 28 2.644 2.457 6.215 1.00 5.11 O ATOM 353 CB ASN A 28 0.843 2.888 4.034 1.00 73.41 C ATOM 354 CG ASN A 28 -0.157 3.279 5.105 1.00 53.13 C ATOM 355 OD1 ASN A 28 -1.339 2.945 5.018 1.00 21.22 O ATOM 356 ND2 ASN A 28 0.314 3.992 6.121 1.00 34.25 N ATOM 0 H ASN A 28 0.733 0.372 5.884 1.00 73.13 H new ATOM 0 HA ASN A 28 1.839 1.101 3.376 1.00 64.32 H new ATOM 0 HB2 ASN A 28 1.614 3.655 3.963 1.00 73.41 H new ATOM 0 HB3 ASN A 28 0.341 2.851 3.067 1.00 73.41 H new ATOM 0 HD21 ASN A 28 -0.312 4.286 6.871 1.00 34.25 H new ATOM 0 HD22 ASN A 28 1.301 4.246 6.151 1.00 34.25 H new ATOM 363 N CYS A 29 3.806 1.058 4.890 1.00 25.32 N ATOM 364 CA CYS A 29 5.030 1.152 5.679 1.00 61.35 C ATOM 365 C CYS A 29 6.252 0.822 4.827 1.00 10.13 C ATOM 366 O CYS A 29 6.157 0.714 3.605 1.00 5.02 O ATOM 367 CB CYS A 29 4.961 0.208 6.880 1.00 10.22 C ATOM 368 SG CYS A 29 3.342 -0.559 7.124 1.00 11.12 S ATOM 0 H CYS A 29 3.875 0.447 4.076 1.00 25.32 H new ATOM 0 HA CYS A 29 5.125 2.177 6.037 1.00 61.35 H new ATOM 0 HB2 CYS A 29 5.708 -0.576 6.755 1.00 10.22 H new ATOM 0 HB3 CYS A 29 5.228 0.762 7.780 1.00 10.22 H new ATOM 0 HG CYS A 29 3.217 -1.573 6.321 1.00 11.12 H new ATOM 374 N GLU A 30 7.398 0.665 5.482 1.00 2.22 N ATOM 375 CA GLU A 30 8.639 0.351 4.784 1.00 21.41 C ATOM 376 C GLU A 30 9.451 -0.685 5.557 1.00 0.44 C ATOM 377 O GLU A 30 10.185 -0.347 6.487 1.00 13.43 O ATOM 378 CB GLU A 30 9.471 1.618 4.580 1.00 41.41 C ATOM 379 CG GLU A 30 10.437 1.531 3.410 1.00 32.11 C ATOM 380 CD GLU A 30 11.888 1.563 3.848 1.00 1.30 C ATOM 381 OE1 GLU A 30 12.224 0.879 4.837 1.00 20.22 O ATOM 382 OE2 GLU A 30 12.688 2.273 3.203 1.00 74.35 O ATOM 0 H GLU A 30 7.493 0.750 6.494 1.00 2.22 H new ATOM 0 HA GLU A 30 8.382 -0.066 3.810 1.00 21.41 H new ATOM 0 HB2 GLU A 30 8.799 2.462 4.424 1.00 41.41 H new ATOM 0 HB3 GLU A 30 10.034 1.823 5.490 1.00 41.41 H new ATOM 0 HG2 GLU A 30 10.249 0.611 2.856 1.00 32.11 H new ATOM 0 HG3 GLU A 30 10.249 2.359 2.726 1.00 32.11 H new ATOM 389 N LEU A 31 9.314 -1.947 5.167 1.00 51.10 N ATOM 390 CA LEU A 31 10.034 -3.033 5.823 1.00 72.10 C ATOM 391 C LEU A 31 9.986 -4.304 4.981 1.00 23.22 C ATOM 392 O LEU A 31 8.934 -4.679 4.463 1.00 64.22 O ATOM 393 CB LEU A 31 9.440 -3.302 7.207 1.00 43.20 C ATOM 394 CG LEU A 31 10.422 -3.257 8.378 1.00 21.34 C ATOM 395 CD1 LEU A 31 9.727 -2.768 9.639 1.00 33.44 C ATOM 396 CD2 LEU A 31 11.043 -4.628 8.607 1.00 54.04 C ATOM 0 H LEU A 31 8.711 -2.244 4.400 1.00 51.10 H new ATOM 0 HA LEU A 31 11.076 -2.731 5.934 1.00 72.10 H new ATOM 0 HB2 LEU A 31 8.652 -2.571 7.391 1.00 43.20 H new ATOM 0 HB3 LEU A 31 8.967 -4.284 7.193 1.00 43.20 H new ATOM 0 HG LEU A 31 11.219 -2.556 8.132 1.00 21.34 H new ATOM 0 HD11 LEU A 31 10.442 -2.743 10.462 1.00 33.44 H new ATOM 0 HD12 LEU A 31 9.331 -1.766 9.471 1.00 33.44 H new ATOM 0 HD13 LEU A 31 8.909 -3.444 9.889 1.00 33.44 H new ATOM 0 HD21 LEU A 31 11.739 -4.577 9.444 1.00 54.04 H new ATOM 0 HD22 LEU A 31 10.258 -5.350 8.831 1.00 54.04 H new ATOM 0 HD23 LEU A 31 11.577 -4.940 7.710 1.00 54.04 H new ATOM 408 N PHE A 32 11.132 -4.965 4.851 1.00 2.41 N ATOM 409 CA PHE A 32 11.221 -6.195 4.073 1.00 4.04 C ATOM 410 C PHE A 32 11.967 -7.276 4.850 1.00 71.41 C ATOM 411 O PHE A 32 13.095 -7.633 4.510 1.00 21.44 O ATOM 412 CB PHE A 32 11.925 -5.931 2.741 1.00 64.12 C ATOM 413 CG PHE A 32 13.259 -5.256 2.891 1.00 70.44 C ATOM 414 CD1 PHE A 32 13.338 -3.915 3.228 1.00 15.12 C ATOM 415 CD2 PHE A 32 14.434 -5.964 2.693 1.00 0.34 C ATOM 416 CE1 PHE A 32 14.563 -3.291 3.367 1.00 21.12 C ATOM 417 CE2 PHE A 32 15.662 -5.345 2.831 1.00 23.34 C ATOM 418 CZ PHE A 32 15.727 -4.007 3.168 1.00 70.25 C ATOM 0 H PHE A 32 12.012 -4.669 5.274 1.00 2.41 H new ATOM 0 HA PHE A 32 10.208 -6.546 3.877 1.00 4.04 H new ATOM 0 HB2 PHE A 32 12.062 -6.877 2.218 1.00 64.12 H new ATOM 0 HB3 PHE A 32 11.282 -5.312 2.116 1.00 64.12 H new ATOM 0 HD1 PHE A 32 12.431 -3.350 3.384 1.00 15.12 H new ATOM 0 HD2 PHE A 32 14.390 -7.010 2.428 1.00 0.34 H new ATOM 0 HE1 PHE A 32 14.610 -2.245 3.631 1.00 21.12 H new ATOM 0 HE2 PHE A 32 16.571 -5.907 2.675 1.00 23.34 H new ATOM 0 HZ PHE A 32 16.686 -3.522 3.276 1.00 70.25 H new ATOM 428 N ASP A 33 11.328 -7.793 5.894 1.00 4.10 N ATOM 429 CA ASP A 33 11.930 -8.834 6.720 1.00 54.05 C ATOM 430 C ASP A 33 10.862 -9.772 7.274 1.00 61.11 C ATOM 431 O ASP A 33 10.264 -9.503 8.316 1.00 3.22 O ATOM 432 CB ASP A 33 12.723 -8.209 7.868 1.00 63.11 C ATOM 433 CG ASP A 33 13.971 -7.495 7.388 1.00 65.02 C ATOM 434 OD1 ASP A 33 13.843 -6.387 6.826 1.00 15.22 O ATOM 435 OD2 ASP A 33 15.077 -8.044 7.574 1.00 3.14 O ATOM 0 H ASP A 33 10.394 -7.509 6.188 1.00 4.10 H new ATOM 0 HA ASP A 33 12.609 -9.414 6.094 1.00 54.05 H new ATOM 0 HB2 ASP A 33 12.087 -7.503 8.403 1.00 63.11 H new ATOM 0 HB3 ASP A 33 13.003 -8.987 8.578 1.00 63.11 H new ATOM 440 N CYS A 34 10.627 -10.874 6.570 1.00 74.13 N ATOM 441 CA CYS A 34 9.630 -11.852 6.989 1.00 23.24 C ATOM 442 C CYS A 34 9.988 -13.246 6.480 1.00 14.50 C ATOM 443 O CYS A 34 11.008 -13.432 5.819 1.00 43.05 O ATOM 444 CB CYS A 34 8.245 -11.451 6.480 1.00 53.32 C ATOM 445 SG CYS A 34 8.166 -9.767 5.788 1.00 60.55 S ATOM 0 H CYS A 34 11.114 -11.112 5.706 1.00 74.13 H new ATOM 0 HA CYS A 34 9.616 -11.875 8.079 1.00 23.24 H new ATOM 0 HB2 CYS A 34 7.931 -12.162 5.715 1.00 53.32 H new ATOM 0 HB3 CYS A 34 7.531 -11.529 7.300 1.00 53.32 H new ATOM 450 N GLU A 35 9.139 -14.220 6.793 1.00 2.25 N ATOM 451 CA GLU A 35 9.366 -15.596 6.368 1.00 42.12 C ATOM 452 C GLU A 35 8.117 -16.445 6.584 1.00 60.34 C ATOM 453 O GLU A 35 7.640 -16.591 7.708 1.00 33.54 O ATOM 454 CB GLU A 35 10.546 -16.201 7.131 1.00 21.22 C ATOM 455 CG GLU A 35 10.364 -16.192 8.640 1.00 42.13 C ATOM 456 CD GLU A 35 11.672 -16.369 9.386 1.00 2.11 C ATOM 457 OE1 GLU A 35 12.726 -16.462 8.722 1.00 73.32 O ATOM 458 OE2 GLU A 35 11.643 -16.414 10.634 1.00 73.34 O ATOM 0 H GLU A 35 8.289 -14.082 7.339 1.00 2.25 H new ATOM 0 HA GLU A 35 9.598 -15.587 5.303 1.00 42.12 H new ATOM 0 HB2 GLU A 35 10.695 -17.228 6.798 1.00 21.22 H new ATOM 0 HB3 GLU A 35 11.452 -15.649 6.879 1.00 21.22 H new ATOM 0 HG2 GLU A 35 9.903 -15.251 8.941 1.00 42.13 H new ATOM 0 HG3 GLU A 35 9.677 -16.989 8.924 1.00 42.13 H new ATOM 465 N ALA A 36 7.593 -17.003 5.497 1.00 14.40 N ATOM 466 CA ALA A 36 6.400 -17.838 5.567 1.00 64.33 C ATOM 467 C ALA A 36 6.574 -18.959 6.586 1.00 64.11 C ATOM 468 O ALA A 36 7.597 -19.645 6.602 1.00 73.13 O ATOM 469 CB ALA A 36 6.079 -18.414 4.196 1.00 72.34 C ATOM 0 H ALA A 36 7.976 -16.892 4.558 1.00 14.40 H new ATOM 0 HA ALA A 36 5.567 -17.214 5.891 1.00 64.33 H new ATOM 0 HB1 ALA A 36 5.186 -19.035 4.262 1.00 72.34 H new ATOM 0 HB2 ALA A 36 5.904 -17.601 3.492 1.00 72.34 H new ATOM 0 HB3 ALA A 36 6.917 -19.019 3.850 1.00 72.34 H new ATOM 475 N LYS A 37 5.570 -19.140 7.437 1.00 41.22 N ATOM 476 CA LYS A 37 5.611 -20.178 8.460 1.00 51.10 C ATOM 477 C LYS A 37 4.233 -20.383 9.082 1.00 4.02 C ATOM 478 O LYS A 37 3.276 -19.690 8.738 1.00 13.23 O ATOM 479 CB LYS A 37 6.624 -19.812 9.547 1.00 11.21 C ATOM 480 CG LYS A 37 7.608 -20.925 9.862 1.00 73.54 C ATOM 481 CD LYS A 37 8.868 -20.811 9.020 1.00 14.30 C ATOM 482 CE LYS A 37 10.109 -21.163 9.825 1.00 63.24 C ATOM 483 NZ LYS A 37 11.323 -20.477 9.301 1.00 13.53 N ATOM 0 H LYS A 37 4.717 -18.581 7.438 1.00 41.22 H new ATOM 0 HA LYS A 37 5.918 -21.110 7.985 1.00 51.10 H new ATOM 0 HB2 LYS A 37 7.178 -18.927 9.233 1.00 11.21 H new ATOM 0 HB3 LYS A 37 6.087 -19.545 10.457 1.00 11.21 H new ATOM 0 HG2 LYS A 37 7.871 -20.890 10.919 1.00 73.54 H new ATOM 0 HG3 LYS A 37 7.136 -21.891 9.683 1.00 73.54 H new ATOM 0 HD2 LYS A 37 8.792 -21.474 8.158 1.00 14.30 H new ATOM 0 HD3 LYS A 37 8.959 -19.795 8.635 1.00 14.30 H new ATOM 0 HE2 LYS A 37 9.956 -20.885 10.868 1.00 63.24 H new ATOM 0 HE3 LYS A 37 10.263 -22.242 9.802 1.00 63.24 H new ATOM 0 HZ1 LYS A 37 12.148 -20.743 9.876 1.00 13.53 H new ATOM 0 HZ2 LYS A 37 11.484 -20.762 8.314 1.00 13.53 H new ATOM 0 HZ3 LYS A 37 11.187 -19.447 9.347 1.00 13.53 H new ATOM 497 N LYS A 38 4.141 -21.338 10.001 1.00 75.30 N ATOM 498 CA LYS A 38 2.881 -21.633 10.674 1.00 22.41 C ATOM 499 C LYS A 38 3.128 -22.163 12.083 1.00 4.52 C ATOM 500 O LYS A 38 3.260 -23.366 12.306 1.00 72.20 O ATOM 501 CB LYS A 38 2.076 -22.655 9.868 1.00 33.12 C ATOM 502 CG LYS A 38 1.650 -22.151 8.500 1.00 33.22 C ATOM 503 CD LYS A 38 2.687 -22.475 7.439 1.00 65.14 C ATOM 504 CE LYS A 38 2.737 -21.402 6.362 1.00 41.11 C ATOM 505 NZ LYS A 38 4.125 -21.170 5.874 1.00 53.41 N ATOM 0 H LYS A 38 4.924 -21.921 10.297 1.00 75.30 H new ATOM 0 HA LYS A 38 2.311 -20.707 10.747 1.00 22.41 H new ATOM 0 HB2 LYS A 38 2.673 -23.558 9.743 1.00 33.12 H new ATOM 0 HB3 LYS A 38 1.188 -22.935 10.435 1.00 33.12 H new ATOM 0 HG2 LYS A 38 0.696 -22.601 8.227 1.00 33.22 H new ATOM 0 HG3 LYS A 38 1.494 -21.073 8.541 1.00 33.22 H new ATOM 0 HD2 LYS A 38 3.668 -22.570 7.905 1.00 65.14 H new ATOM 0 HD3 LYS A 38 2.455 -23.438 6.984 1.00 65.14 H new ATOM 0 HE2 LYS A 38 2.103 -21.697 5.526 1.00 41.11 H new ATOM 0 HE3 LYS A 38 2.331 -20.471 6.758 1.00 41.11 H new ATOM 0 HZ1 LYS A 38 4.333 -20.151 5.890 1.00 53.41 H new ATOM 0 HZ2 LYS A 38 4.798 -21.670 6.489 1.00 53.41 H new ATOM 0 HZ3 LYS A 38 4.215 -21.526 4.901 1.00 53.41 H new ATOM 519 N PRO A 39 3.192 -21.244 13.058 1.00 1.15 N ATOM 520 CA PRO A 39 3.422 -21.595 14.463 1.00 33.20 C ATOM 521 C PRO A 39 2.228 -22.314 15.083 1.00 3.44 C ATOM 522 O PRO A 39 2.290 -22.766 16.227 1.00 53.22 O ATOM 523 CB PRO A 39 3.639 -20.238 15.137 1.00 35.22 C ATOM 524 CG PRO A 39 2.921 -19.264 14.268 1.00 75.40 C ATOM 525 CD PRO A 39 3.044 -19.792 12.865 1.00 4.42 C ATOM 0 HA PRO A 39 4.260 -22.282 14.580 1.00 33.20 H new ATOM 0 HB2 PRO A 39 3.241 -20.232 16.152 1.00 35.22 H new ATOM 0 HB3 PRO A 39 4.700 -19.997 15.209 1.00 35.22 H new ATOM 0 HG2 PRO A 39 1.875 -19.176 14.562 1.00 75.40 H new ATOM 0 HG3 PRO A 39 3.360 -18.270 14.351 1.00 75.40 H new ATOM 0 HD2 PRO A 39 2.164 -19.554 12.268 1.00 4.42 H new ATOM 0 HD3 PRO A 39 3.904 -19.366 12.349 1.00 4.42 H new ATOM 533 N ASP A 40 1.144 -22.415 14.322 1.00 22.55 N ATOM 534 CA ASP A 40 -0.064 -23.081 14.797 1.00 5.34 C ATOM 535 C ASP A 40 -1.006 -23.388 13.638 1.00 33.01 C ATOM 536 O ASP A 40 -1.160 -22.584 12.720 1.00 14.31 O ATOM 537 CB ASP A 40 -0.776 -22.211 15.834 1.00 35.11 C ATOM 538 CG ASP A 40 -0.549 -22.697 17.252 1.00 10.31 C ATOM 539 OD1 ASP A 40 -0.394 -21.846 18.153 1.00 1.03 O ATOM 540 OD2 ASP A 40 -0.527 -23.928 17.461 1.00 50.42 O ATOM 0 H ASP A 40 1.077 -22.045 13.374 1.00 22.55 H new ATOM 0 HA ASP A 40 0.228 -24.022 15.263 1.00 5.34 H new ATOM 0 HB2 ASP A 40 -0.424 -21.183 15.745 1.00 35.11 H new ATOM 0 HB3 ASP A 40 -1.845 -22.201 15.623 1.00 35.11 H new ATOM 545 N GLY A 41 -1.635 -24.559 13.687 1.00 44.10 N ATOM 546 CA GLY A 41 -2.553 -24.952 12.635 1.00 72.33 C ATOM 547 C GLY A 41 -3.194 -23.762 11.949 1.00 0.34 C ATOM 548 O GLY A 41 -4.402 -23.550 12.059 1.00 44.05 O ATOM 0 H GLY A 41 -1.525 -25.242 14.437 1.00 44.10 H new ATOM 0 HA2 GLY A 41 -2.019 -25.549 11.896 1.00 72.33 H new ATOM 0 HA3 GLY A 41 -3.332 -25.588 13.056 1.00 72.33 H new ATOM 552 N SER A 42 -2.383 -22.981 11.242 1.00 33.11 N ATOM 553 CA SER A 42 -2.877 -21.802 10.541 1.00 54.12 C ATOM 554 C SER A 42 -1.733 -21.052 9.867 1.00 42.45 C ATOM 555 O SER A 42 -0.560 -21.328 10.120 1.00 71.25 O ATOM 556 CB SER A 42 -3.608 -20.874 11.513 1.00 54.54 C ATOM 557 OG SER A 42 -2.843 -20.659 12.686 1.00 35.21 O ATOM 0 H SER A 42 -1.381 -23.144 11.140 1.00 33.11 H new ATOM 0 HA SER A 42 -3.575 -22.133 9.771 1.00 54.12 H new ATOM 0 HB2 SER A 42 -3.810 -19.920 11.027 1.00 54.54 H new ATOM 0 HB3 SER A 42 -4.572 -21.307 11.778 1.00 54.54 H new ATOM 0 HG SER A 42 -1.975 -21.105 12.597 1.00 35.21 H new ATOM 563 N TYR A 43 -2.082 -20.101 9.007 1.00 14.01 N ATOM 564 CA TYR A 43 -1.086 -19.312 8.294 1.00 44.54 C ATOM 565 C TYR A 43 -0.611 -18.137 9.143 1.00 10.43 C ATOM 566 O TYR A 43 -1.401 -17.504 9.844 1.00 45.01 O ATOM 567 CB TYR A 43 -1.660 -18.800 6.972 1.00 55.13 C ATOM 568 CG TYR A 43 -0.897 -19.274 5.756 1.00 41.43 C ATOM 569 CD1 TYR A 43 -0.825 -20.625 5.440 1.00 44.35 C ATOM 570 CD2 TYR A 43 -0.247 -18.371 4.924 1.00 50.54 C ATOM 571 CE1 TYR A 43 -0.128 -21.062 4.330 1.00 65.41 C ATOM 572 CE2 TYR A 43 0.451 -18.799 3.811 1.00 0.02 C ATOM 573 CZ TYR A 43 0.508 -20.146 3.519 1.00 41.33 C ATOM 574 OH TYR A 43 1.204 -20.577 2.412 1.00 14.43 O ATOM 0 H TYR A 43 -3.048 -19.858 8.787 1.00 14.01 H new ATOM 0 HA TYR A 43 -0.232 -19.956 8.086 1.00 44.54 H new ATOM 0 HB2 TYR A 43 -2.698 -19.122 6.887 1.00 55.13 H new ATOM 0 HB3 TYR A 43 -1.664 -17.710 6.986 1.00 55.13 H new ATOM 0 HD1 TYR A 43 -1.322 -21.346 6.073 1.00 44.35 H new ATOM 0 HD2 TYR A 43 -0.288 -17.316 5.151 1.00 50.54 H new ATOM 0 HE1 TYR A 43 -0.082 -22.116 4.099 1.00 65.41 H new ATOM 0 HE2 TYR A 43 0.949 -18.083 3.174 1.00 0.02 H new ATOM 0 HH TYR A 43 1.592 -19.805 1.948 1.00 14.43 H new ATOM 584 N ALA A 44 0.685 -17.851 9.075 1.00 40.33 N ATOM 585 CA ALA A 44 1.266 -16.751 9.835 1.00 50.14 C ATOM 586 C ALA A 44 2.682 -16.443 9.359 1.00 11.15 C ATOM 587 O ALA A 44 3.560 -17.306 9.392 1.00 51.21 O ATOM 588 CB ALA A 44 1.265 -17.078 11.321 1.00 43.24 C ATOM 0 H ALA A 44 1.353 -18.366 8.501 1.00 40.33 H new ATOM 0 HA ALA A 44 0.655 -15.864 9.669 1.00 50.14 H new ATOM 0 HB1 ALA A 44 1.702 -16.248 11.876 1.00 43.24 H new ATOM 0 HB2 ALA A 44 0.241 -17.241 11.657 1.00 43.24 H new ATOM 0 HB3 ALA A 44 1.852 -17.980 11.495 1.00 43.24 H new ATOM 594 N HIS A 45 2.897 -15.208 8.918 1.00 44.14 N ATOM 595 CA HIS A 45 4.208 -14.786 8.435 1.00 32.33 C ATOM 596 C HIS A 45 4.191 -13.315 8.033 1.00 11.40 C ATOM 597 O HIS A 45 4.328 -12.965 6.861 1.00 41.14 O ATOM 598 CB HIS A 45 4.638 -15.647 7.247 1.00 4.11 C ATOM 599 CG HIS A 45 3.634 -15.681 6.137 1.00 53.11 C ATOM 600 ND1 HIS A 45 3.864 -15.125 4.896 1.00 20.12 N ATOM 601 CD2 HIS A 45 2.389 -16.210 6.085 1.00 20.32 C ATOM 602 CE1 HIS A 45 2.804 -15.310 4.130 1.00 51.41 C ATOM 603 NE2 HIS A 45 1.895 -15.966 4.828 1.00 74.14 N ATOM 0 H HIS A 45 2.181 -14.482 8.885 1.00 44.14 H new ATOM 0 HA HIS A 45 4.925 -14.914 9.246 1.00 32.33 H new ATOM 0 HB2 HIS A 45 5.584 -15.269 6.859 1.00 4.11 H new ATOM 0 HB3 HIS A 45 4.819 -16.665 7.593 1.00 4.11 H new ATOM 0 HD2 HIS A 45 1.879 -16.728 6.884 1.00 20.32 H new ATOM 0 HE1 HIS A 45 2.699 -14.981 3.107 1.00 51.41 H new ATOM 0 HE2 HIS A 45 0.975 -16.246 4.488 1.00 74.14 H new ATOM 611 N PRO A 46 4.018 -12.431 9.027 1.00 0.20 N ATOM 612 CA PRO A 46 3.979 -10.983 8.801 1.00 11.10 C ATOM 613 C PRO A 46 5.340 -10.421 8.406 1.00 3.23 C ATOM 614 O PRO A 46 5.736 -10.485 7.242 1.00 61.00 O ATOM 615 CB PRO A 46 3.542 -10.424 10.157 1.00 4.15 C ATOM 616 CG PRO A 46 3.973 -11.451 11.147 1.00 71.12 C ATOM 617 CD PRO A 46 3.848 -12.777 10.448 1.00 1.22 C ATOM 0 HA PRO A 46 3.313 -10.716 7.980 1.00 11.10 H new ATOM 0 HB2 PRO A 46 4.010 -9.460 10.357 1.00 4.15 H new ATOM 0 HB3 PRO A 46 2.464 -10.268 10.192 1.00 4.15 H new ATOM 0 HG2 PRO A 46 4.999 -11.275 11.470 1.00 71.12 H new ATOM 0 HG3 PRO A 46 3.348 -11.420 12.039 1.00 71.12 H new ATOM 0 HD2 PRO A 46 4.609 -13.482 10.784 1.00 1.22 H new ATOM 0 HD3 PRO A 46 2.879 -13.240 10.636 1.00 1.22 H new ATOM 625 N CYS A 47 6.054 -9.870 9.383 1.00 75.02 N ATOM 626 CA CYS A 47 7.371 -9.296 9.138 1.00 62.30 C ATOM 627 C CYS A 47 8.152 -9.150 10.441 1.00 34.32 C ATOM 628 O CYS A 47 7.676 -9.539 11.508 1.00 24.42 O ATOM 629 CB CYS A 47 7.238 -7.934 8.455 1.00 43.31 C ATOM 630 SG CYS A 47 7.354 -7.998 6.638 1.00 20.41 S ATOM 0 H CYS A 47 5.742 -9.809 10.352 1.00 75.02 H new ATOM 0 HA CYS A 47 7.918 -9.972 8.481 1.00 62.30 H new ATOM 0 HB2 CYS A 47 6.280 -7.493 8.732 1.00 43.31 H new ATOM 0 HB3 CYS A 47 8.016 -7.272 8.835 1.00 43.31 H new ATOM 635 N ARG A 48 9.351 -8.587 10.346 1.00 45.11 N ATOM 636 CA ARG A 48 10.198 -8.390 11.516 1.00 22.13 C ATOM 637 C ARG A 48 9.361 -8.343 12.791 1.00 1.12 C ATOM 638 O ARG A 48 9.416 -9.256 13.616 1.00 51.44 O ATOM 639 CB ARG A 48 11.007 -7.099 11.376 1.00 14.11 C ATOM 640 CG ARG A 48 12.510 -7.320 11.368 1.00 44.31 C ATOM 641 CD ARG A 48 13.245 -6.174 12.046 1.00 44.25 C ATOM 642 NE ARG A 48 14.014 -5.377 11.093 1.00 55.21 N ATOM 643 CZ ARG A 48 14.651 -4.257 11.417 1.00 71.31 C ATOM 644 NH1 ARG A 48 14.613 -3.805 12.663 1.00 75.42 N ATOM 645 NH2 ARG A 48 15.329 -3.588 10.494 1.00 41.53 N ATOM 0 H ARG A 48 9.759 -8.259 9.470 1.00 45.11 H new ATOM 0 HA ARG A 48 10.884 -9.234 11.583 1.00 22.13 H new ATOM 0 HB2 ARG A 48 10.717 -6.597 10.453 1.00 14.11 H new ATOM 0 HB3 ARG A 48 10.751 -6.429 12.197 1.00 14.11 H new ATOM 0 HG2 ARG A 48 12.744 -8.255 11.876 1.00 44.31 H new ATOM 0 HG3 ARG A 48 12.859 -7.420 10.340 1.00 44.31 H new ATOM 0 HD2 ARG A 48 12.526 -5.534 12.557 1.00 44.25 H new ATOM 0 HD3 ARG A 48 13.914 -6.573 12.808 1.00 44.25 H new ATOM 0 HE ARG A 48 14.065 -5.698 10.126 1.00 55.21 H new ATOM 0 HH11 ARG A 48 14.094 -4.317 13.376 1.00 75.42 H new ATOM 0 HH12 ARG A 48 15.103 -2.945 12.909 1.00 75.42 H new ATOM 0 HH21 ARG A 48 15.362 -3.933 9.535 1.00 41.53 H new ATOM 0 HH22 ARG A 48 15.818 -2.728 10.743 1.00 41.53 H new ATOM 659 N ARG A 49 8.588 -7.273 12.946 1.00 71.10 N ATOM 660 CA ARG A 49 7.741 -7.106 14.121 1.00 70.11 C ATOM 661 C ARG A 49 7.071 -8.424 14.500 1.00 52.43 C ATOM 662 O ARG A 49 6.300 -8.986 13.721 1.00 65.24 O ATOM 663 CB ARG A 49 6.678 -6.037 13.862 1.00 40.12 C ATOM 664 CG ARG A 49 7.165 -4.620 14.117 1.00 14.24 C ATOM 665 CD ARG A 49 7.391 -4.367 15.600 1.00 72.42 C ATOM 666 NE ARG A 49 7.844 -3.004 15.860 1.00 42.31 N ATOM 667 CZ ARG A 49 8.545 -2.654 16.933 1.00 63.33 C ATOM 668 NH1 ARG A 49 8.872 -3.564 17.840 1.00 10.14 N ATOM 669 NH2 ARG A 49 8.921 -1.393 17.099 1.00 5.20 N ATOM 0 H ARG A 49 8.531 -6.509 12.273 1.00 71.10 H new ATOM 0 HA ARG A 49 8.372 -6.787 14.951 1.00 70.11 H new ATOM 0 HB2 ARG A 49 6.340 -6.116 12.829 1.00 40.12 H new ATOM 0 HB3 ARG A 49 5.814 -6.235 14.496 1.00 40.12 H new ATOM 0 HG2 ARG A 49 8.093 -4.450 13.572 1.00 14.24 H new ATOM 0 HG3 ARG A 49 6.434 -3.908 13.732 1.00 14.24 H new ATOM 0 HD2 ARG A 49 6.465 -4.551 16.144 1.00 72.42 H new ATOM 0 HD3 ARG A 49 8.130 -5.073 15.980 1.00 72.42 H new ATOM 0 HE ARG A 49 7.609 -2.280 15.180 1.00 42.31 H new ATOM 0 HH11 ARG A 49 8.585 -4.535 17.715 1.00 10.14 H new ATOM 0 HH12 ARG A 49 9.410 -3.293 18.663 1.00 10.14 H new ATOM 0 HH21 ARG A 49 8.672 -0.691 16.402 1.00 5.20 H new ATOM 0 HH22 ARG A 49 9.459 -1.126 17.923 1.00 5.20 H new ATOM 683 N CYS A 50 7.370 -8.910 15.699 1.00 14.32 N ATOM 684 CA CYS A 50 6.797 -10.162 16.181 1.00 3.21 C ATOM 685 C CYS A 50 5.275 -10.134 16.091 1.00 70.13 C ATOM 686 O CYS A 50 4.614 -9.390 16.815 1.00 54.44 O ATOM 687 CB CYS A 50 7.230 -10.422 17.625 1.00 71.34 C ATOM 688 SG CYS A 50 7.219 -12.168 18.095 1.00 72.20 S ATOM 0 H CYS A 50 8.006 -8.457 16.355 1.00 14.32 H new ATOM 0 HA CYS A 50 7.165 -10.969 15.548 1.00 3.21 H new ATOM 0 HB2 CYS A 50 8.235 -10.024 17.769 1.00 71.34 H new ATOM 0 HB3 CYS A 50 6.570 -9.872 18.296 1.00 71.34 H new ATOM 0 HG CYS A 50 8.054 -12.359 19.073 1.00 72.20 H new ATOM 694 N ASP A 51 4.726 -10.949 15.197 1.00 52.35 N ATOM 695 CA ASP A 51 3.281 -11.017 15.011 1.00 61.45 C ATOM 696 C ASP A 51 2.918 -12.053 13.951 1.00 22.42 C ATOM 697 O ASP A 51 3.751 -12.869 13.556 1.00 35.21 O ATOM 698 CB ASP A 51 2.731 -9.647 14.611 1.00 21.32 C ATOM 699 CG ASP A 51 2.859 -9.383 13.124 1.00 73.32 C ATOM 700 OD1 ASP A 51 1.833 -9.466 12.416 1.00 12.30 O ATOM 701 OD2 ASP A 51 3.984 -9.093 12.668 1.00 62.45 O ATOM 0 H ASP A 51 5.259 -11.572 14.590 1.00 52.35 H new ATOM 0 HA ASP A 51 2.832 -11.318 15.957 1.00 61.45 H new ATOM 0 HB2 ASP A 51 1.682 -9.582 14.900 1.00 21.32 H new ATOM 0 HB3 ASP A 51 3.262 -8.871 15.162 1.00 21.32 H new ATOM 706 N ALA A 52 1.670 -12.015 13.496 1.00 20.15 N ATOM 707 CA ALA A 52 1.197 -12.950 12.483 1.00 44.33 C ATOM 708 C ALA A 52 -0.290 -12.757 12.209 1.00 53.40 C ATOM 709 O ALA A 52 -0.990 -12.092 12.972 1.00 40.34 O ATOM 710 CB ALA A 52 1.475 -14.382 12.915 1.00 50.13 C ATOM 0 H ALA A 52 0.968 -11.346 13.813 1.00 20.15 H new ATOM 0 HA ALA A 52 1.739 -12.750 11.559 1.00 44.33 H new ATOM 0 HB1 ALA A 52 1.116 -15.069 12.149 1.00 50.13 H new ATOM 0 HB2 ALA A 52 2.548 -14.519 13.052 1.00 50.13 H new ATOM 0 HB3 ALA A 52 0.960 -14.585 13.854 1.00 50.13 H new ATOM 716 N ASN A 53 -0.767 -13.342 11.115 1.00 41.10 N ATOM 717 CA ASN A 53 -2.172 -13.233 10.740 1.00 10.21 C ATOM 718 C ASN A 53 -2.950 -14.469 11.180 1.00 60.42 C ATOM 719 O ASN A 53 -3.054 -15.446 10.438 1.00 0.45 O ATOM 720 CB ASN A 53 -2.305 -13.044 9.228 1.00 63.04 C ATOM 721 CG ASN A 53 -2.457 -11.586 8.838 1.00 64.31 C ATOM 722 OD1 ASN A 53 -1.486 -10.928 8.462 1.00 33.41 O ATOM 723 ND2 ASN A 53 -3.679 -11.075 8.927 1.00 42.35 N ATOM 0 H ASN A 53 -0.201 -13.896 10.473 1.00 41.10 H new ATOM 0 HA ASN A 53 -2.591 -12.363 11.246 1.00 10.21 H new ATOM 0 HB2 ASN A 53 -1.427 -13.460 8.734 1.00 63.04 H new ATOM 0 HB3 ASN A 53 -3.168 -13.605 8.869 1.00 63.04 H new ATOM 0 HD21 ASN A 53 -3.843 -10.099 8.679 1.00 42.35 H new ATOM 0 HD22 ASN A 53 -4.454 -11.658 9.244 1.00 42.35 H new ATOM 730 N ASN A 54 -3.495 -14.419 12.391 1.00 72.12 N ATOM 731 CA ASN A 54 -4.264 -15.535 12.930 1.00 71.12 C ATOM 732 C ASN A 54 -5.370 -15.951 11.964 1.00 2.51 C ATOM 733 O ASN A 54 -6.436 -15.337 11.925 1.00 54.51 O ATOM 734 CB ASN A 54 -4.869 -15.158 14.284 1.00 70.14 C ATOM 735 CG ASN A 54 -3.954 -15.505 15.442 1.00 11.33 C ATOM 736 OD1 ASN A 54 -4.400 -16.020 16.468 1.00 54.34 O ATOM 737 ND2 ASN A 54 -2.666 -15.222 15.284 1.00 72.51 N ATOM 0 H ASN A 54 -3.418 -13.618 13.018 1.00 72.12 H new ATOM 0 HA ASN A 54 -3.587 -16.379 13.064 1.00 71.12 H new ATOM 0 HB2 ASN A 54 -5.081 -14.089 14.299 1.00 70.14 H new ATOM 0 HB3 ASN A 54 -5.821 -15.673 14.410 1.00 70.14 H new ATOM 0 HD21 ASN A 54 -2.003 -15.431 16.030 1.00 72.51 H new ATOM 0 HD22 ASN A 54 -2.340 -14.795 14.417 1.00 72.51 H new ATOM 853 N ILE A 63 -2.939 -9.794 13.874 1.00 30.42 N ATOM 854 CA ILE A 63 -2.644 -9.702 15.299 1.00 63.44 C ATOM 855 C ILE A 63 -1.140 -9.639 15.545 1.00 12.23 C ATOM 856 O ILE A 63 -0.333 -10.094 14.735 1.00 52.14 O ATOM 857 CB ILE A 63 -3.230 -10.898 16.073 1.00 5.32 C ATOM 858 CG1 ILE A 63 -3.695 -11.984 15.102 1.00 62.42 C ATOM 859 CG2 ILE A 63 -4.380 -10.443 16.958 1.00 13.42 C ATOM 860 CD1 ILE A 63 -5.104 -11.777 14.593 1.00 33.13 C ATOM 0 HA ILE A 63 -3.108 -8.784 15.660 1.00 63.44 H new ATOM 0 HB ILE A 63 -2.451 -11.317 16.710 1.00 5.32 H new ATOM 0 HG12 ILE A 63 -3.012 -12.018 14.253 1.00 62.42 H new ATOM 0 HG13 ILE A 63 -3.635 -12.953 15.598 1.00 62.42 H new ATOM 0 HG21 ILE A 63 -4.784 -11.299 17.499 1.00 13.42 H new ATOM 0 HG22 ILE A 63 -4.019 -9.701 17.671 1.00 13.42 H new ATOM 0 HG23 ILE A 63 -5.162 -10.002 16.340 1.00 13.42 H new ATOM 0 HD11 ILE A 63 -5.366 -12.585 13.910 1.00 33.13 H new ATOM 0 HD12 ILE A 63 -5.798 -11.773 15.434 1.00 33.13 H new ATOM 0 HD13 ILE A 63 -5.165 -10.824 14.068 1.00 33.13 H new ATOM 872 N PRO A 64 -0.753 -9.062 16.693 1.00 61.13 N ATOM 873 CA PRO A 64 0.656 -8.927 17.075 1.00 70.33 C ATOM 874 C PRO A 64 1.294 -10.269 17.419 1.00 1.42 C ATOM 875 O PRO A 64 0.754 -11.326 17.091 1.00 5.01 O ATOM 876 CB PRO A 64 0.604 -8.027 18.311 1.00 14.43 C ATOM 877 CG PRO A 64 -0.756 -8.243 18.880 1.00 53.21 C ATOM 878 CD PRO A 64 -1.660 -8.498 17.706 1.00 54.12 C ATOM 0 HA PRO A 64 1.262 -8.524 16.263 1.00 70.33 H new ATOM 0 HB2 PRO A 64 1.380 -8.294 19.028 1.00 14.43 H new ATOM 0 HB3 PRO A 64 0.761 -6.981 18.046 1.00 14.43 H new ATOM 0 HG2 PRO A 64 -0.762 -9.089 19.568 1.00 53.21 H new ATOM 0 HG3 PRO A 64 -1.086 -7.371 19.444 1.00 53.21 H new ATOM 0 HD2 PRO A 64 -2.461 -9.192 17.959 1.00 54.12 H new ATOM 0 HD3 PRO A 64 -2.132 -7.580 17.356 1.00 54.12 H new ATOM 886 N CYS A 65 2.444 -10.218 18.082 1.00 21.41 N ATOM 887 CA CYS A 65 3.156 -11.431 18.471 1.00 1.40 C ATOM 888 C CYS A 65 2.189 -12.479 19.011 1.00 63.41 C ATOM 889 O CYS A 65 1.776 -12.420 20.168 1.00 10.40 O ATOM 890 CB CYS A 65 4.218 -11.108 19.524 1.00 75.03 C ATOM 891 SG CYS A 65 4.696 -12.520 20.547 1.00 74.12 S ATOM 0 H CYS A 65 2.903 -9.351 18.361 1.00 21.41 H new ATOM 0 HA CYS A 65 3.645 -11.836 17.585 1.00 1.40 H new ATOM 0 HB2 CYS A 65 5.105 -10.719 19.023 1.00 75.03 H new ATOM 0 HB3 CYS A 65 3.844 -10.315 20.171 1.00 75.03 H new ATOM 0 HG CYS A 65 5.351 -13.379 19.823 1.00 74.12 H new ATOM 897 N ASN A 66 1.832 -13.439 18.163 1.00 14.15 N ATOM 898 CA ASN A 66 0.911 -14.500 18.555 1.00 61.21 C ATOM 899 C ASN A 66 1.407 -15.215 19.808 1.00 32.41 C ATOM 900 O ASN A 66 0.624 -15.822 20.538 1.00 21.42 O ATOM 901 CB ASN A 66 0.743 -15.505 17.413 1.00 3.03 C ATOM 902 CG ASN A 66 2.065 -16.099 16.967 1.00 22.10 C ATOM 903 OD1 ASN A 66 2.394 -17.236 17.307 1.00 1.43 O ATOM 904 ND2 ASN A 66 2.831 -15.330 16.201 1.00 34.41 N ATOM 0 H ASN A 66 2.166 -13.504 17.201 1.00 14.15 H new ATOM 0 HA ASN A 66 -0.055 -14.046 18.776 1.00 61.21 H new ATOM 0 HB2 ASN A 66 0.077 -16.306 17.733 1.00 3.03 H new ATOM 0 HB3 ASN A 66 0.265 -15.012 16.566 1.00 3.03 H new ATOM 0 HD21 ASN A 66 3.732 -15.676 15.870 1.00 34.41 H new ATOM 0 HD22 ASN A 66 2.518 -14.394 15.944 1.00 34.41 H new ATOM 911 N GLU A 67 2.712 -15.138 20.050 1.00 73.10 N ATOM 912 CA GLU A 67 3.311 -15.779 21.215 1.00 42.52 C ATOM 913 C GLU A 67 3.385 -14.809 22.391 1.00 44.22 C ATOM 914 O GLU A 67 4.265 -14.918 23.245 1.00 64.32 O ATOM 915 CB GLU A 67 4.711 -16.295 20.876 1.00 21.14 C ATOM 916 CG GLU A 67 4.711 -17.454 19.894 1.00 22.42 C ATOM 917 CD GLU A 67 5.548 -17.174 18.661 1.00 24.33 C ATOM 918 OE1 GLU A 67 5.175 -17.654 17.570 1.00 2.11 O ATOM 919 OE2 GLU A 67 6.576 -16.476 18.787 1.00 21.42 O ATOM 0 H GLU A 67 3.374 -14.639 19.456 1.00 73.10 H new ATOM 0 HA GLU A 67 2.680 -16.621 21.500 1.00 42.52 H new ATOM 0 HB2 GLU A 67 5.300 -15.477 20.460 1.00 21.14 H new ATOM 0 HB3 GLU A 67 5.206 -16.609 21.795 1.00 21.14 H new ATOM 0 HG2 GLU A 67 5.091 -18.347 20.391 1.00 22.42 H new ATOM 0 HG3 GLU A 67 3.686 -17.669 19.592 1.00 22.42 H new ATOM 926 N ASP A 68 2.456 -13.860 22.427 1.00 21.31 N ATOM 927 CA ASP A 68 2.415 -12.871 23.498 1.00 51.13 C ATOM 928 C ASP A 68 3.419 -13.214 24.594 1.00 72.22 C ATOM 929 O ASP A 68 3.042 -13.661 25.678 1.00 52.12 O ATOM 930 CB ASP A 68 1.006 -12.785 24.088 1.00 44.04 C ATOM 931 CG ASP A 68 -0.069 -13.100 23.067 1.00 52.35 C ATOM 932 OD1 ASP A 68 -0.655 -12.148 22.509 1.00 43.15 O ATOM 933 OD2 ASP A 68 -0.325 -14.298 22.825 1.00 42.32 O ATOM 0 H ASP A 68 1.721 -13.755 21.727 1.00 21.31 H new ATOM 0 HA ASP A 68 2.683 -11.903 23.075 1.00 51.13 H new ATOM 0 HB2 ASP A 68 0.923 -13.478 24.925 1.00 44.04 H new ATOM 0 HB3 ASP A 68 0.842 -11.784 24.486 1.00 44.04 H new ATOM 938 N HIS A 69 4.699 -13.004 24.304 1.00 51.40 N ATOM 939 CA HIS A 69 5.758 -13.291 25.265 1.00 33.31 C ATOM 940 C HIS A 69 6.650 -12.071 25.472 1.00 71.11 C ATOM 941 O HIS A 69 6.742 -11.188 24.620 1.00 50.55 O ATOM 942 CB HIS A 69 6.598 -14.477 24.790 1.00 32.34 C ATOM 943 CG HIS A 69 7.309 -14.228 23.496 1.00 12.20 C ATOM 944 ND1 HIS A 69 6.650 -14.054 22.297 1.00 24.00 N ATOM 945 CD2 HIS A 69 8.629 -14.121 23.217 1.00 21.54 C ATOM 946 CE1 HIS A 69 7.535 -13.853 21.337 1.00 71.44 C ATOM 947 NE2 HIS A 69 8.743 -13.889 21.869 1.00 63.12 N ATOM 0 H HIS A 69 5.028 -12.636 23.411 1.00 51.40 H new ATOM 0 HA HIS A 69 5.292 -13.543 26.217 1.00 33.31 H new ATOM 0 HB2 HIS A 69 7.333 -14.722 25.557 1.00 32.34 H new ATOM 0 HB3 HIS A 69 5.952 -15.348 24.678 1.00 32.34 H new ATOM 0 HD1 HIS A 69 5.638 -14.077 22.171 1.00 24.00 H new ATOM 0 HD2 HIS A 69 9.442 -14.203 23.924 1.00 21.54 H new ATOM 0 HE1 HIS A 69 7.309 -13.687 20.294 1.00 71.44 H new ATOM 955 N PRO A 70 7.323 -12.019 26.631 1.00 12.01 N ATOM 956 CA PRO A 70 8.219 -10.912 26.977 1.00 42.21 C ATOM 957 C PRO A 70 9.486 -10.905 26.128 1.00 1.02 C ATOM 958 O PRO A 70 10.453 -11.604 26.434 1.00 71.24 O ATOM 959 CB PRO A 70 8.561 -11.177 28.445 1.00 33.32 C ATOM 960 CG PRO A 70 8.382 -12.646 28.616 1.00 34.42 C ATOM 961 CD PRO A 70 7.261 -13.037 27.693 1.00 33.11 C ATOM 0 HA PRO A 70 7.754 -9.942 26.802 1.00 42.21 H new ATOM 0 HB2 PRO A 70 9.582 -10.873 28.675 1.00 33.32 H new ATOM 0 HB3 PRO A 70 7.905 -10.618 29.112 1.00 33.32 H new ATOM 0 HG2 PRO A 70 9.298 -13.182 28.367 1.00 34.42 H new ATOM 0 HG3 PRO A 70 8.140 -12.892 29.650 1.00 34.42 H new ATOM 0 HD2 PRO A 70 7.400 -14.042 27.295 1.00 33.11 H new ATOM 0 HD3 PRO A 70 6.298 -13.027 28.204 1.00 33.11 H new ATOM 969 N CYS A 71 9.475 -10.111 25.063 1.00 34.41 N ATOM 970 CA CYS A 71 10.624 -10.014 24.170 1.00 75.03 C ATOM 971 C CYS A 71 10.791 -8.589 23.653 1.00 41.11 C ATOM 972 O CYS A 71 9.843 -7.804 23.648 1.00 54.54 O ATOM 973 CB CYS A 71 10.466 -10.980 22.995 1.00 74.32 C ATOM 974 SG CYS A 71 11.550 -12.425 23.077 1.00 74.15 S ATOM 0 H CYS A 71 8.683 -9.525 24.797 1.00 34.41 H new ATOM 0 HA CYS A 71 11.516 -10.284 24.735 1.00 75.03 H new ATOM 0 HB2 CYS A 71 9.431 -11.318 22.953 1.00 74.32 H new ATOM 0 HB3 CYS A 71 10.664 -10.443 22.068 1.00 74.32 H new ATOM 0 HG CYS A 71 11.669 -12.809 24.313 1.00 74.15 H new ATOM 980 N HIS A 72 12.004 -8.261 23.220 1.00 4.32 N ATOM 981 CA HIS A 72 12.297 -6.929 22.702 1.00 10.11 C ATOM 982 C HIS A 72 11.889 -6.814 21.236 1.00 33.35 C ATOM 983 O HIS A 72 12.717 -6.530 20.371 1.00 63.21 O ATOM 984 CB HIS A 72 13.786 -6.615 22.855 1.00 55.10 C ATOM 985 CG HIS A 72 14.285 -6.750 24.261 1.00 52.44 C ATOM 986 ND1 HIS A 72 13.456 -6.704 25.361 1.00 13.24 N ATOM 987 CD2 HIS A 72 15.537 -6.931 24.742 1.00 72.53 C ATOM 988 CE1 HIS A 72 14.176 -6.850 26.459 1.00 42.01 C ATOM 989 NE2 HIS A 72 15.442 -6.990 26.110 1.00 25.54 N ATOM 0 H HIS A 72 12.800 -8.899 23.217 1.00 4.32 H new ATOM 0 HA HIS A 72 11.720 -6.207 23.279 1.00 10.11 H new ATOM 0 HB2 HIS A 72 14.358 -7.282 22.210 1.00 55.10 H new ATOM 0 HB3 HIS A 72 13.972 -5.599 22.508 1.00 55.10 H new ATOM 0 HD2 HIS A 72 16.442 -7.014 24.158 1.00 72.53 H new ATOM 0 HE1 HIS A 72 13.794 -6.854 27.469 1.00 42.01 H new ATOM 0 HE2 HIS A 72 16.223 -7.121 26.753 1.00 25.54 H new ATOM 997 N HIS A 73 10.607 -7.038 20.965 1.00 12.00 N ATOM 998 CA HIS A 73 10.089 -6.960 19.604 1.00 53.13 C ATOM 999 C HIS A 73 8.608 -6.590 19.606 1.00 25.12 C ATOM 1000 O HIS A 73 7.989 -6.477 20.665 1.00 51.55 O ATOM 1001 CB HIS A 73 10.292 -8.292 18.881 1.00 44.31 C ATOM 1002 CG HIS A 73 9.679 -9.459 19.591 1.00 12.22 C ATOM 1003 ND1 HIS A 73 8.544 -9.355 20.368 1.00 61.31 N ATOM 1004 CD2 HIS A 73 10.047 -10.760 19.638 1.00 64.42 C ATOM 1005 CE1 HIS A 73 8.242 -10.542 20.863 1.00 63.42 C ATOM 1006 NE2 HIS A 73 9.139 -11.413 20.435 1.00 52.45 N ATOM 0 H HIS A 73 9.908 -7.275 21.669 1.00 12.00 H new ATOM 0 HA HIS A 73 10.640 -6.181 19.077 1.00 53.13 H new ATOM 0 HB2 HIS A 73 9.866 -8.221 17.880 1.00 44.31 H new ATOM 0 HB3 HIS A 73 11.360 -8.471 18.760 1.00 44.31 H new ATOM 0 HD2 HIS A 73 10.897 -11.203 19.141 1.00 64.42 H new ATOM 0 HE1 HIS A 73 7.404 -10.763 21.508 1.00 63.42 H new ATOM 0 HE2 HIS A 73 9.154 -12.408 20.660 1.00 52.45 H new ATOM 1014 N CYS A 74 8.049 -6.403 18.416 1.00 13.12 N ATOM 1015 CA CYS A 74 6.641 -6.044 18.281 1.00 23.13 C ATOM 1016 C CYS A 74 5.893 -6.277 19.590 1.00 40.32 C ATOM 1017 O CYS A 74 5.618 -7.417 19.966 1.00 50.41 O ATOM 1018 CB CYS A 74 5.993 -6.854 17.158 1.00 55.02 C ATOM 1019 SG CYS A 74 4.283 -6.386 16.803 1.00 55.21 S ATOM 0 H CYS A 74 8.548 -6.494 17.531 1.00 13.12 H new ATOM 0 HA CYS A 74 6.583 -4.984 18.034 1.00 23.13 H new ATOM 0 HB2 CYS A 74 6.586 -6.737 16.251 1.00 55.02 H new ATOM 0 HB3 CYS A 74 6.022 -7.911 17.424 1.00 55.02 H new ATOM 0 HG CYS A 74 3.539 -7.451 16.775 1.00 55.21 H new ATOM 1025 N HIS A 75 5.568 -5.189 20.281 1.00 55.21 N ATOM 1026 CA HIS A 75 4.852 -5.274 21.549 1.00 72.21 C ATOM 1027 C HIS A 75 3.788 -6.367 21.500 1.00 50.23 C ATOM 1028 O HIS A 75 3.311 -6.732 20.426 1.00 35.42 O ATOM 1029 CB HIS A 75 4.204 -3.930 21.885 1.00 62.52 C ATOM 1030 CG HIS A 75 2.708 -3.958 21.834 1.00 14.44 C ATOM 1031 ND1 HIS A 75 1.986 -3.618 20.709 1.00 21.24 N ATOM 1032 CD2 HIS A 75 1.796 -4.288 22.779 1.00 71.13 C ATOM 1033 CE1 HIS A 75 0.695 -3.737 20.964 1.00 24.14 C ATOM 1034 NE2 HIS A 75 0.553 -4.143 22.213 1.00 10.33 N ATOM 0 H HIS A 75 5.789 -4.238 19.984 1.00 55.21 H new ATOM 0 HA HIS A 75 5.572 -5.526 22.328 1.00 72.21 H new ATOM 0 HB2 HIS A 75 4.520 -3.623 22.882 1.00 62.52 H new ATOM 0 HB3 HIS A 75 4.569 -3.175 21.188 1.00 62.52 H new ATOM 0 HD2 HIS A 75 2.007 -4.606 23.789 1.00 71.13 H new ATOM 0 HE1 HIS A 75 -0.107 -3.536 20.270 1.00 24.14 H new ATOM 0 HE2 HIS A 75 -0.336 -4.320 22.681 1.00 10.33 H new ATOM 1042 N GLU A 76 3.423 -6.884 22.669 1.00 52.32 N ATOM 1043 CA GLU A 76 2.417 -7.936 22.757 1.00 12.44 C ATOM 1044 C GLU A 76 1.824 -8.004 24.162 1.00 73.33 C ATOM 1045 O GLU A 76 2.418 -8.586 25.069 1.00 55.20 O ATOM 1046 CB GLU A 76 3.027 -9.288 22.383 1.00 74.03 C ATOM 1047 CG GLU A 76 4.544 -9.312 22.455 1.00 61.44 C ATOM 1048 CD GLU A 76 5.068 -8.990 23.841 1.00 73.12 C ATOM 1049 OE1 GLU A 76 4.685 -9.696 24.798 1.00 53.43 O ATOM 1050 OE2 GLU A 76 5.859 -8.033 23.969 1.00 64.20 O ATOM 0 H GLU A 76 3.808 -6.592 23.567 1.00 52.32 H new ATOM 0 HA GLU A 76 1.618 -7.700 22.054 1.00 12.44 H new ATOM 0 HB2 GLU A 76 2.628 -10.054 23.048 1.00 74.03 H new ATOM 0 HB3 GLU A 76 2.715 -9.550 21.372 1.00 74.03 H new ATOM 0 HG2 GLU A 76 4.903 -10.297 22.155 1.00 61.44 H new ATOM 0 HG3 GLU A 76 4.949 -8.594 21.742 1.00 61.44 H new ATOM 1057 N GLU A 77 0.649 -7.406 24.332 1.00 50.54 N ATOM 1058 CA GLU A 77 -0.024 -7.398 25.625 1.00 4.44 C ATOM 1059 C GLU A 77 0.287 -8.670 26.408 1.00 70.52 C ATOM 1060 O GLU A 77 -0.568 -9.544 26.558 1.00 42.40 O ATOM 1061 CB GLU A 77 -1.536 -7.257 25.438 1.00 23.12 C ATOM 1062 CG GLU A 77 -1.931 -6.125 24.505 1.00 1.10 C ATOM 1063 CD GLU A 77 -2.256 -6.609 23.105 1.00 22.13 C ATOM 1064 OE1 GLU A 77 -3.212 -7.399 22.958 1.00 13.35 O ATOM 1065 OE2 GLU A 77 -1.554 -6.199 22.157 1.00 32.22 O ATOM 0 H GLU A 77 0.144 -6.921 23.590 1.00 50.54 H new ATOM 0 HA GLU A 77 0.345 -6.544 26.192 1.00 4.44 H new ATOM 0 HB2 GLU A 77 -1.934 -8.194 25.048 1.00 23.12 H new ATOM 0 HB3 GLU A 77 -2.000 -7.094 26.411 1.00 23.12 H new ATOM 0 HG2 GLU A 77 -2.797 -5.606 24.916 1.00 1.10 H new ATOM 0 HG3 GLU A 77 -1.119 -5.400 24.455 1.00 1.10 H new ATOM 1072 N ASP A 78 1.516 -8.768 26.903 1.00 34.12 N ATOM 1073 CA ASP A 78 1.940 -9.933 27.671 1.00 62.24 C ATOM 1074 C ASP A 78 3.249 -9.654 28.403 1.00 30.10 C ATOM 1075 O ASP A 78 3.389 -9.966 29.586 1.00 72.13 O ATOM 1076 CB ASP A 78 2.104 -11.144 26.751 1.00 63.21 C ATOM 1077 CG ASP A 78 1.115 -12.249 27.066 1.00 51.20 C ATOM 1078 OD1 ASP A 78 -0.065 -12.117 26.679 1.00 73.04 O ATOM 1079 OD2 ASP A 78 1.521 -13.245 27.699 1.00 32.51 O ATOM 0 H ASP A 78 2.236 -8.055 26.786 1.00 34.12 H new ATOM 0 HA ASP A 78 1.170 -10.150 28.411 1.00 62.24 H new ATOM 0 HB2 ASP A 78 1.975 -10.830 25.715 1.00 63.21 H new ATOM 0 HB3 ASP A 78 3.119 -11.532 26.843 1.00 63.21 H new ATOM 1084 N ASP A 79 4.205 -9.066 27.692 1.00 13.22 N ATOM 1085 CA ASP A 79 5.503 -8.745 28.274 1.00 14.54 C ATOM 1086 C ASP A 79 5.342 -8.184 29.684 1.00 21.11 C ATOM 1087 O ASP A 79 4.606 -7.223 29.901 1.00 54.11 O ATOM 1088 CB ASP A 79 6.245 -7.739 27.394 1.00 45.52 C ATOM 1089 CG ASP A 79 5.329 -6.665 26.841 1.00 75.55 C ATOM 1090 OD1 ASP A 79 5.616 -6.149 25.740 1.00 14.43 O ATOM 1091 OD2 ASP A 79 4.323 -6.343 27.507 1.00 23.13 O ATOM 0 H ASP A 79 4.105 -8.802 26.712 1.00 13.22 H new ATOM 0 HA ASP A 79 6.085 -9.665 28.332 1.00 14.54 H new ATOM 0 HB2 ASP A 79 7.040 -7.271 27.974 1.00 45.52 H new ATOM 0 HB3 ASP A 79 6.722 -8.266 26.568 1.00 45.52 H new ATOM 1096 N GLY A 80 6.037 -8.793 30.641 1.00 73.35 N ATOM 1097 CA GLY A 80 5.956 -8.342 32.018 1.00 64.25 C ATOM 1098 C GLY A 80 5.386 -9.399 32.942 1.00 74.54 C ATOM 1099 O GLY A 80 4.635 -10.274 32.507 1.00 1.54 O ATOM 0 H GLY A 80 6.654 -9.590 30.487 1.00 73.35 H new ATOM 0 HA2 GLY A 80 6.951 -8.060 32.364 1.00 64.25 H new ATOM 0 HA3 GLY A 80 5.335 -7.447 32.068 1.00 64.25 H new ATOM 1103 N ASP A 81 5.743 -9.322 34.219 1.00 54.42 N ATOM 1104 CA ASP A 81 5.261 -10.280 35.207 1.00 3.00 C ATOM 1105 C ASP A 81 4.259 -9.627 36.154 1.00 72.23 C ATOM 1106 O ASP A 81 3.791 -8.514 35.910 1.00 24.20 O ATOM 1107 CB ASP A 81 6.433 -10.856 36.003 1.00 2.23 C ATOM 1108 CG ASP A 81 6.311 -12.352 36.213 1.00 32.33 C ATOM 1109 OD1 ASP A 81 5.853 -13.047 35.282 1.00 53.02 O ATOM 1110 OD2 ASP A 81 6.674 -12.829 37.309 1.00 51.13 O ATOM 0 H ASP A 81 6.365 -8.606 34.595 1.00 54.42 H new ATOM 0 HA ASP A 81 4.758 -11.089 34.677 1.00 3.00 H new ATOM 0 HB2 ASP A 81 7.365 -10.640 35.480 1.00 2.23 H new ATOM 0 HB3 ASP A 81 6.489 -10.360 36.972 1.00 2.23 H new ATOM 1115 N THR A 82 3.931 -10.328 37.235 1.00 1.52 N ATOM 1116 CA THR A 82 2.983 -9.818 38.217 1.00 14.24 C ATOM 1117 C THR A 82 3.261 -8.355 38.542 1.00 14.34 C ATOM 1118 O THR A 82 2.475 -7.471 38.197 1.00 20.40 O ATOM 1119 CB THR A 82 3.027 -10.639 39.520 1.00 3.31 C ATOM 1120 OG1 THR A 82 3.083 -12.037 39.216 1.00 11.14 O ATOM 1121 CG2 THR A 82 1.808 -10.350 40.383 1.00 25.25 C ATOM 0 H THR A 82 4.308 -11.250 37.452 1.00 1.52 H new ATOM 0 HA THR A 82 1.991 -9.907 37.774 1.00 14.24 H new ATOM 0 HB THR A 82 3.921 -10.352 40.075 1.00 3.31 H new ATOM 0 HG1 THR A 82 3.112 -12.552 40.049 1.00 11.14 H new ATOM 0 HG21 THR A 82 1.861 -10.941 41.297 1.00 25.25 H new ATOM 0 HG22 THR A 82 1.785 -9.290 40.637 1.00 25.25 H new ATOM 0 HG23 THR A 82 0.903 -10.611 39.834 1.00 25.25 H new ATOM 1129 N HIS A 83 4.384 -8.104 39.208 1.00 34.10 N ATOM 1130 CA HIS A 83 4.766 -6.746 39.579 1.00 71.15 C ATOM 1131 C HIS A 83 4.554 -5.785 38.413 1.00 54.21 C ATOM 1132 O HIS A 83 3.939 -4.729 38.570 1.00 21.15 O ATOM 1133 CB HIS A 83 6.228 -6.709 40.026 1.00 74.24 C ATOM 1134 CG HIS A 83 6.508 -7.559 41.226 1.00 23.14 C ATOM 1135 ND1 HIS A 83 5.515 -8.143 41.984 1.00 1.11 N ATOM 1136 CD2 HIS A 83 7.679 -7.924 41.799 1.00 45.05 C ATOM 1137 CE1 HIS A 83 6.063 -8.829 42.971 1.00 1.43 C ATOM 1138 NE2 HIS A 83 7.376 -8.712 42.881 1.00 33.40 N ATOM 0 H HIS A 83 5.045 -8.823 39.502 1.00 34.10 H new ATOM 0 HA HIS A 83 4.132 -6.430 40.408 1.00 71.15 H new ATOM 0 HB2 HIS A 83 6.860 -7.039 39.202 1.00 74.24 H new ATOM 0 HB3 HIS A 83 6.506 -5.679 40.248 1.00 74.24 H new ATOM 0 HD2 HIS A 83 8.668 -7.646 41.466 1.00 45.05 H new ATOM 0 HE1 HIS A 83 5.529 -9.390 43.723 1.00 1.43 H new ATOM 0 HE2 HIS A 83 8.054 -9.138 43.513 1.00 33.40 H new ATOM 1146 N CYS A 84 5.066 -6.157 37.245 1.00 1.52 N ATOM 1147 CA CYS A 84 4.934 -5.326 36.053 1.00 31.32 C ATOM 1148 C CYS A 84 3.479 -4.932 35.824 1.00 75.23 C ATOM 1149 O CYS A 84 3.183 -3.794 35.458 1.00 73.35 O ATOM 1150 CB CYS A 84 5.474 -6.066 34.829 1.00 72.35 C ATOM 1151 SG CYS A 84 7.276 -6.044 34.688 1.00 63.11 S ATOM 0 H CYS A 84 5.576 -7.028 37.098 1.00 1.52 H new ATOM 0 HA CYS A 84 5.517 -4.418 36.206 1.00 31.32 H new ATOM 0 HB2 CYS A 84 5.136 -7.102 34.866 1.00 72.35 H new ATOM 0 HB3 CYS A 84 5.045 -5.622 33.931 1.00 72.35 H new ATOM 0 HG CYS A 84 7.618 -6.304 33.461 1.00 63.11 H new ATOM 1157 N HIS A 85 2.573 -5.881 36.040 1.00 52.13 N ATOM 1158 CA HIS A 85 1.147 -5.633 35.855 1.00 23.24 C ATOM 1159 C HIS A 85 0.634 -4.627 36.881 1.00 54.13 C ATOM 1160 O HIS A 85 -0.263 -3.834 36.591 1.00 35.23 O ATOM 1161 CB HIS A 85 0.362 -6.940 35.969 1.00 61.34 C ATOM 1162 CG HIS A 85 0.622 -7.894 34.844 1.00 73.34 C ATOM 1163 ND1 HIS A 85 1.859 -8.042 34.252 1.00 34.03 N ATOM 1164 CD2 HIS A 85 -0.205 -8.753 34.203 1.00 70.41 C ATOM 1165 CE1 HIS A 85 1.781 -8.949 33.295 1.00 21.44 C ATOM 1166 NE2 HIS A 85 0.539 -9.397 33.245 1.00 24.01 N ATOM 0 H HIS A 85 2.801 -6.828 36.343 1.00 52.13 H new ATOM 0 HA HIS A 85 1.001 -5.216 34.858 1.00 23.24 H new ATOM 0 HB2 HIS A 85 0.615 -7.425 36.912 1.00 61.34 H new ATOM 0 HB3 HIS A 85 -0.703 -6.713 36.003 1.00 61.34 H new ATOM 0 HD1 HIS A 85 2.702 -7.531 34.513 1.00 34.03 H new ATOM 0 HD2 HIS A 85 -1.255 -8.904 34.407 1.00 70.41 H new ATOM 0 HE1 HIS A 85 2.594 -9.270 32.661 1.00 21.44 H new ATOM 1174 N CYS A 86 1.207 -4.665 38.078 1.00 30.23 N ATOM 1175 CA CYS A 86 0.806 -3.758 39.147 1.00 11.54 C ATOM 1176 C CYS A 86 1.338 -2.351 38.895 1.00 42.24 C ATOM 1177 O CYS A 86 0.709 -1.361 39.269 1.00 31.42 O ATOM 1178 CB CYS A 86 1.309 -4.272 40.497 1.00 44.41 C ATOM 1179 SG CYS A 86 0.372 -5.674 41.149 1.00 44.12 S ATOM 0 H CYS A 86 1.951 -5.314 38.333 1.00 30.23 H new ATOM 0 HA CYS A 86 -0.283 -3.717 39.165 1.00 11.54 H new ATOM 0 HB2 CYS A 86 2.355 -4.563 40.396 1.00 44.41 H new ATOM 0 HB3 CYS A 86 1.273 -3.457 41.220 1.00 44.41 H new ATOM 0 HG CYS A 86 0.874 -6.038 42.292 1.00 44.12 H new ATOM 1185 N SER A 87 2.502 -2.270 38.258 1.00 4.33 N ATOM 1186 CA SER A 87 3.123 -0.984 37.960 1.00 33.13 C ATOM 1187 C SER A 87 2.469 -0.335 36.744 1.00 4.41 C ATOM 1188 O SER A 87 2.506 0.886 36.584 1.00 40.01 O ATOM 1189 CB SER A 87 4.622 -1.162 37.714 1.00 60.44 C ATOM 1190 OG SER A 87 5.262 -1.726 38.846 1.00 74.14 O ATOM 0 H SER A 87 3.034 -3.079 37.938 1.00 4.33 H new ATOM 0 HA SER A 87 2.979 -0.330 38.820 1.00 33.13 H new ATOM 0 HB2 SER A 87 4.778 -1.804 36.847 1.00 60.44 H new ATOM 0 HB3 SER A 87 5.072 -0.197 37.481 1.00 60.44 H new ATOM 0 HG SER A 87 4.962 -2.652 38.964 1.00 74.14 H new ATOM 1196 N CYS A 88 1.873 -1.159 35.890 1.00 13.14 N ATOM 1197 CA CYS A 88 1.211 -0.666 34.687 1.00 22.33 C ATOM 1198 C CYS A 88 -0.182 -0.136 35.011 1.00 4.31 C ATOM 1199 O CYS A 88 -0.616 0.873 34.457 1.00 43.33 O ATOM 1200 CB CYS A 88 1.116 -1.778 33.641 1.00 44.40 C ATOM 1201 SG CYS A 88 2.683 -2.155 32.821 1.00 50.13 S ATOM 0 H CYS A 88 1.834 -2.171 36.008 1.00 13.14 H new ATOM 0 HA CYS A 88 1.807 0.153 34.284 1.00 22.33 H new ATOM 0 HB2 CYS A 88 0.742 -2.683 34.121 1.00 44.40 H new ATOM 0 HB3 CYS A 88 0.383 -1.491 32.887 1.00 44.40 H new ATOM 0 HG CYS A 88 3.391 -2.940 33.578 1.00 50.13 H new ATOM 1349 N THR A 99 -0.413 5.288 26.114 1.00 60.25 N ATOM 1350 CA THR A 99 -1.039 4.070 25.616 1.00 61.45 C ATOM 1351 C THR A 99 -0.579 3.755 24.197 1.00 44.33 C ATOM 1352 O THR A 99 -1.286 3.094 23.436 1.00 50.12 O ATOM 1353 CB THR A 99 -2.575 4.180 25.632 1.00 12.01 C ATOM 1354 OG1 THR A 99 -3.008 4.816 26.840 1.00 44.22 O ATOM 1355 CG2 THR A 99 -3.218 2.806 25.519 1.00 62.14 C ATOM 0 HA THR A 99 -0.733 3.263 26.282 1.00 61.45 H new ATOM 0 HB THR A 99 -2.883 4.779 24.775 1.00 12.01 H new ATOM 0 HG1 THR A 99 -2.301 5.410 27.169 1.00 44.22 H new ATOM 0 HG21 THR A 99 -4.303 2.910 25.533 1.00 62.14 H new ATOM 0 HG22 THR A 99 -2.910 2.336 24.585 1.00 62.14 H new ATOM 0 HG23 THR A 99 -2.902 2.186 26.358 1.00 62.14 H new ATOM 1363 N HIS A 100 0.612 4.233 23.846 1.00 35.41 N ATOM 1364 CA HIS A 100 1.167 4.001 22.518 1.00 60.15 C ATOM 1365 C HIS A 100 2.689 3.907 22.574 1.00 72.42 C ATOM 1366 O HIS A 100 3.288 4.015 23.643 1.00 62.14 O ATOM 1367 CB HIS A 100 0.749 5.121 21.564 1.00 33.23 C ATOM 1368 CG HIS A 100 -0.098 4.650 20.422 1.00 44.02 C ATOM 1369 ND1 HIS A 100 0.384 3.848 19.409 1.00 21.20 N ATOM 1370 CD2 HIS A 100 -1.402 4.872 20.136 1.00 20.42 C ATOM 1371 CE1 HIS A 100 -0.587 3.598 18.549 1.00 61.31 C ATOM 1372 NE2 HIS A 100 -1.681 4.207 18.967 1.00 14.14 N ATOM 0 H HIS A 100 1.210 4.783 24.463 1.00 35.41 H new ATOM 0 HA HIS A 100 0.775 3.054 22.148 1.00 60.15 H new ATOM 0 HB2 HIS A 100 0.201 5.878 22.124 1.00 33.23 H new ATOM 0 HB3 HIS A 100 1.643 5.602 21.168 1.00 33.23 H new ATOM 0 HD2 HIS A 100 -2.094 5.462 20.718 1.00 20.42 H new ATOM 0 HE1 HIS A 100 -0.500 2.997 17.656 1.00 61.31 H new ATOM 0 HE2 HIS A 100 -2.587 4.187 18.498 1.00 14.14 H new ATOM 1380 N GLY A 101 3.308 3.703 21.415 1.00 52.23 N ATOM 1381 CA GLY A 101 4.754 3.597 21.355 1.00 71.24 C ATOM 1382 C GLY A 101 5.402 4.830 20.758 1.00 53.41 C ATOM 1383 O GLY A 101 5.499 4.959 19.538 1.00 11.10 O ATOM 0 H GLY A 101 2.834 3.609 20.517 1.00 52.23 H new ATOM 0 HA2 GLY A 101 5.145 3.435 22.359 1.00 71.24 H new ATOM 0 HA3 GLY A 101 5.027 2.724 20.762 1.00 71.24 H new ATOM 1387 N GLU A 102 5.844 5.740 21.620 1.00 5.30 N ATOM 1388 CA GLU A 102 6.484 6.971 21.170 1.00 70.04 C ATOM 1389 C GLU A 102 7.497 7.466 22.198 1.00 33.12 C ATOM 1390 O GLU A 102 7.521 6.998 23.337 1.00 65.10 O ATOM 1391 CB GLU A 102 5.433 8.053 20.911 1.00 62.22 C ATOM 1392 CG GLU A 102 4.463 8.247 22.064 1.00 42.30 C ATOM 1393 CD GLU A 102 3.994 9.683 22.196 1.00 43.30 C ATOM 1394 OE1 GLU A 102 3.749 10.124 23.339 1.00 73.14 O ATOM 1395 OE2 GLU A 102 3.873 10.366 21.158 1.00 54.13 O ATOM 0 H GLU A 102 5.771 5.648 22.633 1.00 5.30 H new ATOM 0 HA GLU A 102 7.012 6.757 20.241 1.00 70.04 H new ATOM 0 HB2 GLU A 102 5.938 8.998 20.709 1.00 62.22 H new ATOM 0 HB3 GLU A 102 4.871 7.794 20.014 1.00 62.22 H new ATOM 0 HG2 GLU A 102 3.599 7.598 21.920 1.00 42.30 H new ATOM 0 HG3 GLU A 102 4.942 7.938 22.993 1.00 42.30 H new ATOM 1402 N CYS A 103 8.332 8.415 21.789 1.00 55.14 N ATOM 1403 CA CYS A 103 9.348 8.974 22.672 1.00 34.01 C ATOM 1404 C CYS A 103 9.983 10.216 22.053 1.00 33.05 C ATOM 1405 O CYS A 103 10.844 10.117 21.179 1.00 52.24 O ATOM 1406 CB CYS A 103 10.426 7.930 22.968 1.00 20.12 C ATOM 1407 SG CYS A 103 10.184 6.345 22.103 1.00 43.21 S ATOM 0 H CYS A 103 8.325 8.813 20.850 1.00 55.14 H new ATOM 0 HA CYS A 103 8.864 9.262 23.605 1.00 34.01 H new ATOM 0 HB2 CYS A 103 11.398 8.338 22.691 1.00 20.12 H new ATOM 0 HB3 CYS A 103 10.453 7.745 24.042 1.00 20.12 H new ATOM 1412 N THR A 104 9.552 11.386 22.514 1.00 11.34 N ATOM 1413 CA THR A 104 10.077 12.648 22.007 1.00 73.42 C ATOM 1414 C THR A 104 10.128 13.703 23.105 1.00 2.42 C ATOM 1415 O THR A 104 10.288 14.893 22.831 1.00 75.04 O ATOM 1416 CB THR A 104 9.226 13.180 20.838 1.00 4.20 C ATOM 1417 OG1 THR A 104 9.898 14.273 20.201 1.00 24.43 O ATOM 1418 CG2 THR A 104 7.859 13.635 21.326 1.00 23.45 C ATOM 0 H THR A 104 8.840 11.486 23.238 1.00 11.34 H new ATOM 0 HA THR A 104 11.088 12.450 21.651 1.00 73.42 H new ATOM 0 HB THR A 104 9.087 12.371 20.121 1.00 4.20 H new ATOM 0 HG1 THR A 104 10.226 14.897 20.882 1.00 24.43 H new ATOM 0 HG21 THR A 104 7.277 14.006 20.483 1.00 23.45 H new ATOM 0 HG22 THR A 104 7.338 12.795 21.785 1.00 23.45 H new ATOM 0 HG23 THR A 104 7.981 14.431 22.061 1.00 23.45 H new ATOM 1426 N LYS A 105 9.993 13.262 24.351 1.00 61.51 N ATOM 1427 CA LYS A 105 10.026 14.168 25.493 1.00 62.14 C ATOM 1428 C LYS A 105 11.276 13.935 26.336 1.00 13.10 C ATOM 1429 O LYS A 105 12.102 13.080 26.017 1.00 5.41 O ATOM 1430 CB LYS A 105 8.775 13.982 26.354 1.00 52.22 C ATOM 1431 CG LYS A 105 7.684 13.172 25.675 1.00 51.32 C ATOM 1432 CD LYS A 105 7.198 12.038 26.561 1.00 30.13 C ATOM 1433 CE LYS A 105 8.315 11.052 26.868 1.00 2.50 C ATOM 1434 NZ LYS A 105 8.354 9.935 25.885 1.00 62.40 N ATOM 0 H LYS A 105 9.859 12.281 24.596 1.00 61.51 H new ATOM 0 HA LYS A 105 10.050 15.190 25.114 1.00 62.14 H new ATOM 0 HB2 LYS A 105 9.055 13.490 27.285 1.00 52.22 H new ATOM 0 HB3 LYS A 105 8.377 14.962 26.618 1.00 52.22 H new ATOM 0 HG2 LYS A 105 6.847 13.824 25.426 1.00 51.32 H new ATOM 0 HG3 LYS A 105 8.062 12.766 24.737 1.00 51.32 H new ATOM 0 HD2 LYS A 105 6.805 12.446 27.492 1.00 30.13 H new ATOM 0 HD3 LYS A 105 6.377 11.517 26.069 1.00 30.13 H new ATOM 0 HE2 LYS A 105 9.272 11.574 26.863 1.00 2.50 H new ATOM 0 HE3 LYS A 105 8.178 10.648 27.871 1.00 2.50 H new ATOM 0 HZ1 LYS A 105 9.297 9.496 25.895 1.00 62.40 H new ATOM 0 HZ2 LYS A 105 7.639 9.224 26.139 1.00 62.40 H new ATOM 0 HZ3 LYS A 105 8.154 10.303 24.933 1.00 62.40 H new ATOM 1448 N LYS A 106 11.407 14.700 27.415 1.00 73.23 N ATOM 1449 CA LYS A 106 12.554 14.576 28.306 1.00 35.45 C ATOM 1450 C LYS A 106 12.537 13.233 29.030 1.00 1.14 C ATOM 1451 O LYS A 106 13.339 12.994 29.933 1.00 52.21 O ATOM 1452 CB LYS A 106 12.559 15.717 29.326 1.00 33.11 C ATOM 1453 CG LYS A 106 12.645 17.096 28.695 1.00 25.22 C ATOM 1454 CD LYS A 106 11.347 17.868 28.862 1.00 64.14 C ATOM 1455 CE LYS A 106 11.601 19.362 28.995 1.00 74.30 C ATOM 1456 NZ LYS A 106 10.356 20.107 29.333 1.00 45.23 N ATOM 0 H LYS A 106 10.732 15.413 27.693 1.00 73.23 H new ATOM 0 HA LYS A 106 13.460 14.633 27.702 1.00 35.45 H new ATOM 0 HB2 LYS A 106 11.653 15.658 29.929 1.00 33.11 H new ATOM 0 HB3 LYS A 106 13.402 15.584 30.004 1.00 33.11 H new ATOM 0 HG2 LYS A 106 13.463 17.655 29.150 1.00 25.22 H new ATOM 0 HG3 LYS A 106 12.877 16.998 27.635 1.00 25.22 H new ATOM 0 HD2 LYS A 106 10.699 17.683 28.005 1.00 64.14 H new ATOM 0 HD3 LYS A 106 10.819 17.508 29.745 1.00 64.14 H new ATOM 0 HE2 LYS A 106 12.350 19.536 29.768 1.00 74.30 H new ATOM 0 HE3 LYS A 106 12.012 19.745 28.061 1.00 74.30 H new ATOM 0 HZ1 LYS A 106 10.570 21.121 29.415 1.00 45.23 H new ATOM 0 HZ2 LYS A 106 9.650 19.962 28.583 1.00 45.23 H new ATOM 0 HZ3 LYS A 106 9.978 19.759 30.237 1.00 45.23 H new ATOM 1470 N ALA A 107 11.620 12.360 28.628 1.00 73.05 N ATOM 1471 CA ALA A 107 11.502 11.041 29.236 1.00 71.54 C ATOM 1472 C ALA A 107 12.006 9.954 28.292 1.00 50.02 C ATOM 1473 O ALA A 107 12.234 10.186 27.104 1.00 14.23 O ATOM 1474 CB ALA A 107 10.058 10.769 29.633 1.00 43.44 C ATOM 0 H ALA A 107 10.947 12.543 27.883 1.00 73.05 H new ATOM 0 HA ALA A 107 12.123 11.025 30.132 1.00 71.54 H new ATOM 0 HB1 ALA A 107 9.985 9.780 30.086 1.00 43.44 H new ATOM 0 HB2 ALA A 107 9.730 11.521 30.350 1.00 43.44 H new ATOM 0 HB3 ALA A 107 9.423 10.810 28.748 1.00 43.44 H new ATOM 1480 N PRO A 108 12.186 8.739 28.830 1.00 71.43 N ATOM 1481 CA PRO A 108 12.665 7.592 28.052 1.00 24.04 C ATOM 1482 C PRO A 108 11.631 7.101 27.045 1.00 31.15 C ATOM 1483 O PRO A 108 10.530 7.645 26.956 1.00 50.05 O ATOM 1484 CB PRO A 108 12.923 6.524 29.118 1.00 24.11 C ATOM 1485 CG PRO A 108 12.021 6.889 30.246 1.00 24.32 C ATOM 1486 CD PRO A 108 11.935 8.390 30.238 1.00 34.12 C ATOM 0 HA PRO A 108 13.544 7.842 27.457 1.00 24.04 H new ATOM 0 HB2 PRO A 108 12.701 5.526 28.740 1.00 24.11 H new ATOM 0 HB3 PRO A 108 13.967 6.521 29.431 1.00 24.11 H new ATOM 0 HG2 PRO A 108 11.036 6.441 30.118 1.00 24.32 H new ATOM 0 HG3 PRO A 108 12.416 6.526 31.195 1.00 24.32 H new ATOM 0 HD2 PRO A 108 10.957 8.738 30.570 1.00 34.12 H new ATOM 0 HD3 PRO A 108 12.675 8.838 30.901 1.00 34.12 H new ATOM 1494 N CYS A 109 11.991 6.069 26.290 1.00 61.12 N ATOM 1495 CA CYS A 109 11.094 5.504 25.289 1.00 64.32 C ATOM 1496 C CYS A 109 10.070 4.577 25.937 1.00 1.14 C ATOM 1497 O CYS A 109 10.419 3.722 26.751 1.00 64.54 O ATOM 1498 CB CYS A 109 11.893 4.739 24.232 1.00 65.31 C ATOM 1499 SG CYS A 109 11.401 5.107 22.517 1.00 21.50 S ATOM 0 H CYS A 109 12.898 5.607 26.352 1.00 61.12 H new ATOM 0 HA CYS A 109 10.562 6.326 24.809 1.00 64.32 H new ATOM 0 HB2 CYS A 109 12.951 4.972 24.353 1.00 65.31 H new ATOM 0 HB3 CYS A 109 11.779 3.670 24.410 1.00 65.31 H new ATOM 1504 N TRP A 110 8.806 4.754 25.571 1.00 32.04 N ATOM 1505 CA TRP A 110 7.730 3.934 26.117 1.00 24.43 C ATOM 1506 C TRP A 110 6.847 3.383 25.003 1.00 31.14 C ATOM 1507 O TRP A 110 6.767 3.961 23.919 1.00 32.33 O ATOM 1508 CB TRP A 110 6.887 4.749 27.098 1.00 13.33 C ATOM 1509 CG TRP A 110 5.782 5.517 26.437 1.00 62.55 C ATOM 1510 CD1 TRP A 110 4.821 5.017 25.605 1.00 33.45 C ATOM 1511 CD2 TRP A 110 5.527 6.921 26.549 1.00 24.12 C ATOM 1512 NE1 TRP A 110 3.983 6.026 25.195 1.00 64.33 N ATOM 1513 CE2 TRP A 110 4.395 7.203 25.760 1.00 0.44 C ATOM 1514 CE3 TRP A 110 6.144 7.967 27.241 1.00 30.32 C ATOM 1515 CZ2 TRP A 110 3.870 8.488 25.645 1.00 21.23 C ATOM 1516 CZ3 TRP A 110 5.622 9.241 27.126 1.00 71.14 C ATOM 1517 CH2 TRP A 110 4.494 9.493 26.333 1.00 31.35 C ATOM 0 H TRP A 110 8.501 5.458 24.899 1.00 32.04 H new ATOM 0 HA TRP A 110 8.180 3.094 26.647 1.00 24.43 H new ATOM 0 HB2 TRP A 110 6.458 4.078 27.842 1.00 13.33 H new ATOM 0 HB3 TRP A 110 7.535 5.445 27.631 1.00 13.33 H new ATOM 0 HD1 TRP A 110 4.733 3.981 25.312 1.00 33.45 H new ATOM 0 HE1 TRP A 110 3.184 5.916 24.571 1.00 64.33 H new ATOM 0 HE3 TRP A 110 7.013 7.783 27.855 1.00 30.32 H new ATOM 0 HZ2 TRP A 110 3.001 8.684 25.034 1.00 21.23 H new ATOM 0 HZ3 TRP A 110 6.091 10.057 27.656 1.00 71.14 H new ATOM 0 HH2 TRP A 110 4.110 10.500 26.264 1.00 31.35 H new ATOM 1528 N ARG A 111 6.185 2.263 25.278 1.00 43.34 N ATOM 1529 CA ARG A 111 5.308 1.635 24.297 1.00 22.33 C ATOM 1530 C ARG A 111 4.081 1.030 24.974 1.00 3.40 C ATOM 1531 O ARG A 111 4.115 0.698 26.159 1.00 34.04 O ATOM 1532 CB ARG A 111 6.064 0.551 23.526 1.00 51.11 C ATOM 1533 CG ARG A 111 6.483 -0.629 24.387 1.00 60.31 C ATOM 1534 CD ARG A 111 7.514 -1.495 23.681 1.00 64.42 C ATOM 1535 NE ARG A 111 7.795 -2.724 24.419 1.00 5.31 N ATOM 1536 CZ ARG A 111 8.334 -3.806 23.868 1.00 53.22 C ATOM 1537 NH1 ARG A 111 8.648 -3.811 22.580 1.00 73.13 N ATOM 1538 NH2 ARG A 111 8.559 -4.885 24.606 1.00 64.45 N ATOM 0 H ARG A 111 6.239 1.773 26.171 1.00 43.34 H new ATOM 0 HA ARG A 111 4.975 2.403 23.599 1.00 22.33 H new ATOM 0 HB2 ARG A 111 5.435 0.191 22.712 1.00 51.11 H new ATOM 0 HB3 ARG A 111 6.951 0.992 23.072 1.00 51.11 H new ATOM 0 HG2 ARG A 111 6.895 -0.266 25.329 1.00 60.31 H new ATOM 0 HG3 ARG A 111 5.608 -1.230 24.633 1.00 60.31 H new ATOM 0 HD2 ARG A 111 7.154 -1.746 22.683 1.00 64.42 H new ATOM 0 HD3 ARG A 111 8.437 -0.929 23.554 1.00 64.42 H new ATOM 0 HE ARG A 111 7.565 -2.753 25.412 1.00 5.31 H new ATOM 0 HH11 ARG A 111 8.476 -2.983 22.010 1.00 73.13 H new ATOM 0 HH12 ARG A 111 9.062 -4.643 22.159 1.00 73.13 H new ATOM 0 HH21 ARG A 111 8.318 -4.884 25.597 1.00 64.45 H new ATOM 0 HH22 ARG A 111 8.973 -5.715 24.182 1.00 64.45 H new ATOM 1552 N CYS A 112 3.001 0.892 24.214 1.00 70.03 N ATOM 1553 CA CYS A 112 1.763 0.329 24.740 1.00 15.01 C ATOM 1554 C CYS A 112 1.952 -1.133 25.130 1.00 65.34 C ATOM 1555 O CYS A 112 2.264 -1.974 24.287 1.00 21.10 O ATOM 1556 CB CYS A 112 0.642 0.453 23.707 1.00 70.34 C ATOM 1557 SG CYS A 112 -0.593 -0.865 23.796 1.00 14.40 S ATOM 0 H CYS A 112 2.957 1.162 23.231 1.00 70.03 H new ATOM 0 HA CYS A 112 1.489 0.891 25.633 1.00 15.01 H new ATOM 0 HB2 CYS A 112 0.144 1.413 23.841 1.00 70.34 H new ATOM 0 HB3 CYS A 112 1.081 0.458 22.709 1.00 70.34 H new ATOM 0 HG CYS A 112 -0.115 -1.945 23.254 1.00 14.40 H new ATOM 1563 N GLU A 113 1.764 -1.428 26.412 1.00 0.02 N ATOM 1564 CA GLU A 113 1.917 -2.789 26.913 1.00 4.21 C ATOM 1565 C GLU A 113 0.807 -3.133 27.902 1.00 42.01 C ATOM 1566 O GLU A 113 0.187 -2.246 28.489 1.00 23.13 O ATOM 1567 CB GLU A 113 3.283 -2.959 27.583 1.00 54.50 C ATOM 1568 CG GLU A 113 3.303 -2.531 29.041 1.00 53.32 C ATOM 1569 CD GLU A 113 3.165 -3.702 29.994 1.00 12.44 C ATOM 1570 OE1 GLU A 113 2.024 -3.996 30.410 1.00 25.20 O ATOM 1571 OE2 GLU A 113 4.196 -4.323 30.325 1.00 2.21 O ATOM 0 H GLU A 113 1.506 -0.743 27.123 1.00 0.02 H new ATOM 0 HA GLU A 113 1.849 -3.471 26.065 1.00 4.21 H new ATOM 0 HB2 GLU A 113 3.584 -4.005 27.516 1.00 54.50 H new ATOM 0 HB3 GLU A 113 4.023 -2.378 27.032 1.00 54.50 H new ATOM 0 HG2 GLU A 113 4.235 -2.006 29.249 1.00 53.32 H new ATOM 0 HG3 GLU A 113 2.492 -1.824 29.220 1.00 53.32 H new ATOM 1721 N CYS A 123 -1.431 -0.863 19.870 1.00 41.34 N ATOM 1722 CA CYS A 123 -0.609 0.342 19.903 1.00 23.32 C ATOM 1723 C CYS A 123 0.845 -0.001 20.215 1.00 55.41 C ATOM 1724 O CYS A 123 1.127 -0.959 20.933 1.00 41.21 O ATOM 1725 CB CYS A 123 -1.149 1.324 20.944 1.00 65.21 C ATOM 1726 SG CYS A 123 -2.877 1.790 20.692 1.00 34.32 S ATOM 0 HA CYS A 123 -0.650 0.808 18.919 1.00 23.32 H new ATOM 0 HB2 CYS A 123 -1.044 0.881 21.934 1.00 65.21 H new ATOM 0 HB3 CYS A 123 -0.535 2.225 20.931 1.00 65.21 H new ATOM 0 HG CYS A 123 -2.943 2.767 19.837 1.00 34.32 H new ATOM 1732 N GLY A 124 1.764 0.789 19.668 1.00 52.20 N ATOM 1733 CA GLY A 124 3.177 0.552 19.898 1.00 50.43 C ATOM 1734 C GLY A 124 3.932 0.259 18.616 1.00 15.02 C ATOM 1735 O GLY A 124 4.784 1.043 18.197 1.00 71.25 O ATOM 0 H GLY A 124 1.555 1.588 19.070 1.00 52.20 H new ATOM 0 HA2 GLY A 124 3.615 1.425 20.382 1.00 50.43 H new ATOM 0 HA3 GLY A 124 3.295 -0.286 20.585 1.00 50.43 H new ATOM 1739 N CYS A 125 3.620 -0.872 17.994 1.00 72.41 N ATOM 1740 CA CYS A 125 4.277 -1.269 16.753 1.00 13.24 C ATOM 1741 C CYS A 125 3.673 -0.536 15.560 1.00 11.51 C ATOM 1742 O CYS A 125 3.983 -0.843 14.410 1.00 51.24 O ATOM 1743 CB CYS A 125 4.161 -2.780 16.551 1.00 75.22 C ATOM 1744 SG CYS A 125 2.494 -3.343 16.130 1.00 4.40 S ATOM 0 H CYS A 125 2.916 -1.531 18.328 1.00 72.41 H new ATOM 0 HA CYS A 125 5.331 -1.000 16.826 1.00 13.24 H new ATOM 0 HB2 CYS A 125 4.846 -3.084 15.759 1.00 75.22 H new ATOM 0 HB3 CYS A 125 4.484 -3.283 17.462 1.00 75.22 H new ATOM 0 HG CYS A 125 1.738 -2.315 15.885 1.00 4.40 H new ATOM 1750 N GLU A 126 2.808 0.434 15.843 1.00 23.23 N ATOM 1751 CA GLU A 126 2.159 1.209 14.792 1.00 23.43 C ATOM 1752 C GLU A 126 3.142 2.184 14.150 1.00 74.33 C ATOM 1753 O GLU A 126 2.780 3.311 13.809 1.00 64.23 O ATOM 1754 CB GLU A 126 0.961 1.973 15.358 1.00 52.41 C ATOM 1755 CG GLU A 126 -0.241 1.091 15.651 1.00 0.20 C ATOM 1756 CD GLU A 126 0.148 -0.241 16.261 1.00 65.53 C ATOM 1757 OE1 GLU A 126 -0.074 -1.281 15.605 1.00 14.11 O ATOM 1758 OE2 GLU A 126 0.675 -0.245 17.393 1.00 65.43 O ATOM 0 H GLU A 126 2.541 0.701 16.790 1.00 23.23 H new ATOM 0 HA GLU A 126 1.810 0.516 14.027 1.00 23.43 H new ATOM 0 HB2 GLU A 126 1.263 2.477 16.276 1.00 52.41 H new ATOM 0 HB3 GLU A 126 0.668 2.748 14.650 1.00 52.41 H new ATOM 0 HG2 GLU A 126 -0.914 1.614 16.330 1.00 0.20 H new ATOM 0 HG3 GLU A 126 -0.792 0.916 14.727 1.00 0.20 H new ATOM 1765 N CYS A 127 4.384 1.742 13.988 1.00 11.25 N ATOM 1766 CA CYS A 127 5.420 2.576 13.388 1.00 33.33 C ATOM 1767 C CYS A 127 5.291 2.593 11.869 1.00 61.34 C ATOM 1768 O CYS A 127 4.945 1.584 11.254 1.00 41.15 O ATOM 1769 CB CYS A 127 6.806 2.070 13.789 1.00 3.02 C ATOM 1770 SG CYS A 127 7.110 2.082 15.572 1.00 55.33 S ATOM 0 H CYS A 127 4.698 0.812 14.263 1.00 11.25 H new ATOM 0 HA CYS A 127 5.292 3.594 13.757 1.00 33.33 H new ATOM 0 HB2 CYS A 127 6.931 1.053 13.417 1.00 3.02 H new ATOM 0 HB3 CYS A 127 7.561 2.684 13.298 1.00 3.02 H new ATOM 0 HG CYS A 127 7.763 3.159 15.894 1.00 55.33 H new ATOM 1776 N SER A 128 5.570 3.746 11.269 1.00 23.22 N ATOM 1777 CA SER A 128 5.480 3.896 9.822 1.00 45.15 C ATOM 1778 C SER A 128 6.865 3.840 9.183 1.00 52.34 C ATOM 1779 O SER A 128 7.869 3.635 9.865 1.00 50.11 O ATOM 1780 CB SER A 128 4.795 5.217 9.466 1.00 22.02 C ATOM 1781 OG SER A 128 4.715 5.388 8.062 1.00 53.21 O ATOM 0 H SER A 128 5.860 4.590 11.763 1.00 23.22 H new ATOM 0 HA SER A 128 4.885 3.070 9.432 1.00 45.15 H new ATOM 0 HB2 SER A 128 3.793 5.238 9.896 1.00 22.02 H new ATOM 0 HB3 SER A 128 5.348 6.047 9.906 1.00 22.02 H new ATOM 0 HG SER A 128 4.272 6.239 7.861 1.00 53.21 H new ATOM 1787 N LYS A 129 6.910 4.025 7.868 1.00 64.44 N ATOM 1788 CA LYS A 129 8.170 3.997 7.134 1.00 40.12 C ATOM 1789 C LYS A 129 9.274 4.695 7.922 1.00 40.03 C ATOM 1790 O LYS A 129 10.029 4.053 8.653 1.00 4.41 O ATOM 1791 CB LYS A 129 8.003 4.666 5.768 1.00 51.14 C ATOM 1792 CG LYS A 129 9.315 4.890 5.036 1.00 53.44 C ATOM 1793 CD LYS A 129 9.100 5.038 3.539 1.00 71.44 C ATOM 1794 CE LYS A 129 10.421 5.176 2.797 1.00 55.21 C ATOM 1795 NZ LYS A 129 11.306 6.195 3.426 1.00 32.03 N ATOM 0 H LYS A 129 6.088 4.196 7.288 1.00 64.44 H new ATOM 0 HA LYS A 129 8.454 2.955 6.989 1.00 40.12 H new ATOM 0 HB2 LYS A 129 7.351 4.050 5.148 1.00 51.14 H new ATOM 0 HB3 LYS A 129 7.503 5.625 5.901 1.00 51.14 H new ATOM 0 HG2 LYS A 129 9.802 5.785 5.425 1.00 53.44 H new ATOM 0 HG3 LYS A 129 9.987 4.053 5.227 1.00 53.44 H new ATOM 0 HD2 LYS A 129 8.558 4.171 3.161 1.00 71.44 H new ATOM 0 HD3 LYS A 129 8.479 5.912 3.344 1.00 71.44 H new ATOM 0 HE2 LYS A 129 10.931 4.213 2.781 1.00 55.21 H new ATOM 0 HE3 LYS A 129 10.228 5.452 1.760 1.00 55.21 H new ATOM 0 HZ1 LYS A 129 12.080 6.432 2.774 1.00 32.03 H new ATOM 0 HZ2 LYS A 129 10.755 7.052 3.635 1.00 32.03 H new ATOM 0 HZ3 LYS A 129 11.702 5.814 4.309 1.00 32.03 H new ATOM 1809 N LEU A 130 9.361 6.012 7.769 1.00 25.31 N ATOM 1810 CA LEU A 130 10.373 6.797 8.468 1.00 54.40 C ATOM 1811 C LEU A 130 9.919 8.244 8.634 1.00 2.30 C ATOM 1812 O LEU A 130 10.569 9.181 8.170 1.00 2.42 O ATOM 1813 CB LEU A 130 11.699 6.751 7.707 1.00 31.31 C ATOM 1814 CG LEU A 130 12.965 6.818 8.561 1.00 24.43 C ATOM 1815 CD1 LEU A 130 13.039 8.143 9.304 1.00 32.52 C ATOM 1816 CD2 LEU A 130 13.011 5.652 9.539 1.00 4.40 C ATOM 0 H LEU A 130 8.744 6.558 7.168 1.00 25.31 H new ATOM 0 HA LEU A 130 10.515 6.363 9.458 1.00 54.40 H new ATOM 0 HB2 LEU A 130 11.728 5.832 7.122 1.00 31.31 H new ATOM 0 HB3 LEU A 130 11.718 7.580 6.999 1.00 31.31 H new ATOM 0 HG LEU A 130 13.829 6.747 7.901 1.00 24.43 H new ATOM 0 HD11 LEU A 130 13.947 8.172 9.907 1.00 32.52 H new ATOM 0 HD12 LEU A 130 13.054 8.963 8.586 1.00 32.52 H new ATOM 0 HD13 LEU A 130 12.169 8.245 9.953 1.00 32.52 H new ATOM 0 HD21 LEU A 130 13.919 5.716 10.139 1.00 4.40 H new ATOM 0 HD22 LEU A 130 12.140 5.692 10.194 1.00 4.40 H new ATOM 0 HD23 LEU A 130 13.007 4.713 8.986 1.00 4.40 H new ATOM 1828 N PRO A 131 8.778 8.433 9.313 1.00 22.24 N ATOM 1829 CA PRO A 131 8.214 9.763 9.559 1.00 13.20 C ATOM 1830 C PRO A 131 9.049 10.574 10.544 1.00 52.42 C ATOM 1831 O PRO A 131 9.988 11.268 10.153 1.00 23.01 O ATOM 1832 CB PRO A 131 6.835 9.460 10.150 1.00 32.13 C ATOM 1833 CG PRO A 131 6.973 8.107 10.759 1.00 11.33 C ATOM 1834 CD PRO A 131 7.951 7.362 9.894 1.00 24.25 C ATOM 0 HA PRO A 131 8.181 10.366 8.651 1.00 13.20 H new ATOM 0 HB2 PRO A 131 6.552 10.203 10.896 1.00 32.13 H new ATOM 0 HB3 PRO A 131 6.063 9.471 9.380 1.00 32.13 H new ATOM 0 HG2 PRO A 131 7.333 8.176 11.785 1.00 11.33 H new ATOM 0 HG3 PRO A 131 6.012 7.594 10.792 1.00 11.33 H new ATOM 0 HD2 PRO A 131 8.551 6.662 10.476 1.00 24.25 H new ATOM 0 HD3 PRO A 131 7.444 6.782 9.122 1.00 24.25 H new ATOM 1842 N CYS A 132 8.701 10.483 11.823 1.00 20.01 N ATOM 1843 CA CYS A 132 9.418 11.208 12.865 1.00 42.13 C ATOM 1844 C CYS A 132 9.909 10.256 13.951 1.00 33.44 C ATOM 1845 O CYS A 132 9.490 10.345 15.105 1.00 50.23 O ATOM 1846 CB CYS A 132 8.518 12.281 13.480 1.00 2.42 C ATOM 1847 SG CYS A 132 6.882 11.672 13.998 1.00 34.33 S ATOM 0 H CYS A 132 7.926 9.914 12.163 1.00 20.01 H new ATOM 0 HA CYS A 132 10.284 11.688 12.409 1.00 42.13 H new ATOM 0 HB2 CYS A 132 9.023 12.712 14.344 1.00 2.42 H new ATOM 0 HB3 CYS A 132 8.382 13.085 12.756 1.00 2.42 H new ATOM 1852 N ASN A 133 10.799 9.344 13.574 1.00 42.13 N ATOM 1853 CA ASN A 133 11.347 8.375 14.515 1.00 31.44 C ATOM 1854 C ASN A 133 12.871 8.433 14.531 1.00 24.31 C ATOM 1855 O ASN A 133 13.518 8.305 13.492 1.00 64.45 O ATOM 1856 CB ASN A 133 10.883 6.962 14.153 1.00 10.32 C ATOM 1857 CG ASN A 133 10.093 6.927 12.859 1.00 45.31 C ATOM 1858 OD1 ASN A 133 8.918 6.560 12.845 1.00 4.43 O ATOM 1859 ND2 ASN A 133 10.738 7.310 11.763 1.00 72.35 N ATOM 0 H ASN A 133 11.156 9.256 12.623 1.00 42.13 H new ATOM 0 HA ASN A 133 10.981 8.627 15.511 1.00 31.44 H new ATOM 0 HB2 ASN A 133 11.751 6.309 14.063 1.00 10.32 H new ATOM 0 HB3 ASN A 133 10.269 6.566 14.962 1.00 10.32 H new ATOM 0 HD21 ASN A 133 10.259 7.308 10.862 1.00 72.35 H new ATOM 0 HD22 ASN A 133 11.712 7.607 11.822 1.00 72.35 H new ATOM 2085 N ASP A 149 9.545 7.517 17.842 1.00 33.34 N ATOM 2086 CA ASP A 149 8.641 8.253 16.966 1.00 71.53 C ATOM 2087 C ASP A 149 7.532 8.925 17.769 1.00 3.23 C ATOM 2088 O ASP A 149 7.288 8.576 18.924 1.00 25.55 O ATOM 2089 CB ASP A 149 8.034 7.315 15.921 1.00 34.11 C ATOM 2090 CG ASP A 149 8.192 5.854 16.293 1.00 72.31 C ATOM 2091 OD1 ASP A 149 8.681 5.075 15.447 1.00 12.51 O ATOM 2092 OD2 ASP A 149 7.828 5.489 17.430 1.00 75.50 O ATOM 0 HA ASP A 149 9.217 9.027 16.458 1.00 71.53 H new ATOM 0 HB2 ASP A 149 6.975 7.544 15.803 1.00 34.11 H new ATOM 0 HB3 ASP A 149 8.509 7.495 14.956 1.00 34.11 H new ATOM 2097 N CYS A 150 6.864 9.893 17.151 1.00 43.22 N ATOM 2098 CA CYS A 150 5.783 10.617 17.808 1.00 74.23 C ATOM 2099 C CYS A 150 4.441 9.933 17.560 1.00 62.31 C ATOM 2100 O CYS A 150 4.053 9.699 16.415 1.00 14.12 O ATOM 2101 CB CYS A 150 5.730 12.062 17.308 1.00 25.01 C ATOM 2102 SG CYS A 150 5.573 12.218 15.500 1.00 12.30 S ATOM 0 H CYS A 150 7.053 10.194 16.195 1.00 43.22 H new ATOM 0 HA CYS A 150 5.979 10.617 18.880 1.00 74.23 H new ATOM 0 HB2 CYS A 150 4.888 12.568 17.780 1.00 25.01 H new ATOM 0 HB3 CYS A 150 6.634 12.580 17.630 1.00 25.01 H new ATOM 2107 N LYS A 151 3.737 9.614 18.641 1.00 64.12 N ATOM 2108 CA LYS A 151 2.439 8.958 18.543 1.00 52.11 C ATOM 2109 C LYS A 151 1.371 9.750 19.291 1.00 44.30 C ATOM 2110 O LYS A 151 0.595 10.491 18.687 1.00 72.24 O ATOM 2111 CB LYS A 151 2.519 7.536 19.102 1.00 22.13 C ATOM 2112 CG LYS A 151 3.409 6.612 18.289 1.00 72.30 C ATOM 2113 CD LYS A 151 2.786 5.235 18.131 1.00 21.21 C ATOM 2114 CE LYS A 151 3.326 4.516 16.904 1.00 53.42 C ATOM 2115 NZ LYS A 151 4.813 4.449 16.910 1.00 64.01 N ATOM 0 H LYS A 151 4.044 9.800 19.596 1.00 64.12 H new ATOM 0 HA LYS A 151 2.162 8.913 17.490 1.00 52.11 H new ATOM 0 HB2 LYS A 151 2.891 7.577 20.126 1.00 22.13 H new ATOM 0 HB3 LYS A 151 1.515 7.114 19.145 1.00 22.13 H new ATOM 0 HG2 LYS A 151 3.585 7.048 17.306 1.00 72.30 H new ATOM 0 HG3 LYS A 151 4.380 6.519 18.776 1.00 72.30 H new ATOM 0 HD2 LYS A 151 2.987 4.639 19.021 1.00 21.21 H new ATOM 0 HD3 LYS A 151 1.703 5.331 18.050 1.00 21.21 H new ATOM 0 HE2 LYS A 151 2.917 3.506 16.866 1.00 53.42 H new ATOM 0 HE3 LYS A 151 2.989 5.031 16.004 1.00 53.42 H new ATOM 0 HZ1 LYS A 151 5.120 3.522 16.551 1.00 64.01 H new ATOM 0 HZ2 LYS A 151 5.197 5.200 16.302 1.00 64.01 H new ATOM 0 HZ3 LYS A 151 5.162 4.577 17.881 1.00 64.01 H new ATOM 2129 N THR A 152 1.339 9.591 20.611 1.00 53.35 N ATOM 2130 CA THR A 152 0.367 10.292 21.441 1.00 61.31 C ATOM 2131 C THR A 152 0.643 11.791 21.464 1.00 75.24 C ATOM 2132 O THR A 152 -0.283 12.602 21.425 1.00 71.14 O ATOM 2133 CB THR A 152 0.375 9.758 22.886 1.00 74.12 C ATOM 2134 OG1 THR A 152 1.520 8.925 23.094 1.00 23.34 O ATOM 2135 CG2 THR A 152 -0.893 8.969 23.178 1.00 63.44 C ATOM 0 H THR A 152 1.975 8.983 21.128 1.00 53.35 H new ATOM 0 HA THR A 152 -0.614 10.113 21.000 1.00 61.31 H new ATOM 0 HB THR A 152 0.418 10.610 23.565 1.00 74.12 H new ATOM 0 HG1 THR A 152 2.223 9.441 23.542 1.00 23.34 H new ATOM 0 HG21 THR A 152 -0.865 8.602 24.204 1.00 63.44 H new ATOM 0 HG22 THR A 152 -1.761 9.615 23.047 1.00 63.44 H new ATOM 0 HG23 THR A 152 -0.962 8.125 22.492 1.00 63.44 H new ATOM 2143 N ILE A 153 1.920 12.152 21.526 1.00 14.12 N ATOM 2144 CA ILE A 153 2.316 13.555 21.552 1.00 32.41 C ATOM 2145 C ILE A 153 3.064 13.938 20.280 1.00 52.13 C ATOM 2146 O ILE A 153 4.258 13.669 20.142 1.00 34.42 O ATOM 2147 CB ILE A 153 3.205 13.866 22.770 1.00 11.15 C ATOM 2148 CG1 ILE A 153 4.434 12.955 22.778 1.00 5.41 C ATOM 2149 CG2 ILE A 153 2.412 13.706 24.059 1.00 24.12 C ATOM 2150 CD1 ILE A 153 4.932 12.624 24.168 1.00 45.35 C ATOM 0 H ILE A 153 2.698 11.493 21.559 1.00 14.12 H new ATOM 0 HA ILE A 153 1.399 14.141 21.622 1.00 32.41 H new ATOM 0 HB ILE A 153 3.543 14.900 22.700 1.00 11.15 H new ATOM 0 HG12 ILE A 153 4.193 12.028 22.257 1.00 5.41 H new ATOM 0 HG13 ILE A 153 5.236 13.436 22.218 1.00 5.41 H new ATOM 0 HG21 ILE A 153 3.054 13.929 24.911 1.00 24.12 H new ATOM 0 HG22 ILE A 153 1.565 14.392 24.053 1.00 24.12 H new ATOM 0 HG23 ILE A 153 2.048 12.682 24.137 1.00 24.12 H new ATOM 0 HD11 ILE A 153 5.805 11.975 24.097 1.00 45.35 H new ATOM 0 HD12 ILE A 153 5.205 13.544 24.685 1.00 45.35 H new ATOM 0 HD13 ILE A 153 4.145 12.115 24.725 1.00 45.35 H new ATOM 2268 N TYR A 162 6.569 16.456 21.177 1.00 72.31 N ATOM 2269 CA TYR A 162 5.433 16.035 21.989 1.00 3.43 C ATOM 2270 C TYR A 162 4.407 17.157 22.113 1.00 0.43 C ATOM 2271 O TYR A 162 4.725 18.259 22.564 1.00 71.45 O ATOM 2272 CB TYR A 162 5.905 15.605 23.379 1.00 23.02 C ATOM 2273 CG TYR A 162 6.609 16.702 24.146 1.00 22.41 C ATOM 2274 CD1 TYR A 162 5.908 17.527 25.017 1.00 24.21 C ATOM 2275 CD2 TYR A 162 7.974 16.913 23.999 1.00 4.32 C ATOM 2276 CE1 TYR A 162 6.547 18.531 25.720 1.00 70.55 C ATOM 2277 CE2 TYR A 162 8.622 17.913 24.699 1.00 55.45 C ATOM 2278 CZ TYR A 162 7.904 18.720 25.557 1.00 34.52 C ATOM 2279 OH TYR A 162 8.544 19.718 26.255 1.00 63.14 O ATOM 0 HA TYR A 162 4.959 15.187 21.495 1.00 3.43 H new ATOM 0 HB2 TYR A 162 5.045 15.264 23.956 1.00 23.02 H new ATOM 0 HB3 TYR A 162 6.579 14.754 23.278 1.00 23.02 H new ATOM 0 HD1 TYR A 162 4.846 17.381 25.147 1.00 24.21 H new ATOM 0 HD2 TYR A 162 8.539 16.285 23.326 1.00 4.32 H new ATOM 0 HE1 TYR A 162 5.987 19.164 26.393 1.00 70.55 H new ATOM 0 HE2 TYR A 162 9.684 18.062 24.575 1.00 55.45 H new ATOM 0 HH TYR A 162 9.497 19.717 26.028 1.00 63.14 H new ATOM 2289 N HIS A 163 3.173 16.869 21.711 1.00 43.22 N ATOM 2290 CA HIS A 163 2.098 17.853 21.777 1.00 21.44 C ATOM 2291 C HIS A 163 1.176 17.570 22.959 1.00 33.23 C ATOM 2292 O HIS A 163 1.176 18.303 23.948 1.00 33.43 O ATOM 2293 CB HIS A 163 1.295 17.850 20.476 1.00 32.14 C ATOM 2294 CG HIS A 163 1.077 19.217 19.904 1.00 32.24 C ATOM 2295 ND1 HIS A 163 2.046 20.197 19.908 1.00 41.52 N ATOM 2296 CD2 HIS A 163 -0.008 19.764 19.307 1.00 64.11 C ATOM 2297 CE1 HIS A 163 1.567 21.289 19.339 1.00 51.23 C ATOM 2298 NE2 HIS A 163 0.322 21.052 18.965 1.00 44.21 N ATOM 0 H HIS A 163 2.893 15.963 21.336 1.00 43.22 H new ATOM 0 HA HIS A 163 2.546 18.837 21.916 1.00 21.44 H new ATOM 0 HB2 HIS A 163 1.813 17.236 19.740 1.00 32.14 H new ATOM 0 HB3 HIS A 163 0.327 17.382 20.657 1.00 32.14 H new ATOM 0 HD2 HIS A 163 -0.956 19.278 19.132 1.00 64.11 H new ATOM 0 HE1 HIS A 163 2.102 22.217 19.203 1.00 51.23 H new ATOM 0 HE2 HIS A 163 -0.294 21.718 18.498 1.00 44.21 H new ATOM 2306 N SER A 164 0.390 16.503 22.849 1.00 43.11 N ATOM 2307 CA SER A 164 -0.540 16.126 23.906 1.00 13.44 C ATOM 2308 C SER A 164 -0.823 14.628 23.873 1.00 71.54 C ATOM 2309 O SER A 164 -0.047 13.850 23.316 1.00 11.41 O ATOM 2310 CB SER A 164 -1.848 16.907 23.766 1.00 75.04 C ATOM 2311 OG SER A 164 -2.688 16.323 22.785 1.00 60.31 O ATOM 0 H SER A 164 0.379 15.885 22.038 1.00 43.11 H new ATOM 0 HA SER A 164 -0.080 16.370 24.864 1.00 13.44 H new ATOM 0 HB2 SER A 164 -2.366 16.931 24.725 1.00 75.04 H new ATOM 0 HB3 SER A 164 -1.631 17.940 23.495 1.00 75.04 H new ATOM 0 HG SER A 164 -3.518 16.839 22.716 1.00 60.31 H new ATOM 2317 N TYR A 165 -1.939 14.229 24.472 1.00 15.11 N ATOM 2318 CA TYR A 165 -2.325 12.823 24.514 1.00 41.54 C ATOM 2319 C TYR A 165 -3.409 12.525 23.483 1.00 55.31 C ATOM 2320 O TYR A 165 -4.438 13.199 23.436 1.00 1.21 O ATOM 2321 CB TYR A 165 -2.818 12.449 25.912 1.00 13.43 C ATOM 2322 CG TYR A 165 -4.121 13.116 26.293 1.00 30.22 C ATOM 2323 CD1 TYR A 165 -5.335 12.464 26.116 1.00 32.20 C ATOM 2324 CD2 TYR A 165 -4.138 14.398 26.829 1.00 20.51 C ATOM 2325 CE1 TYR A 165 -6.528 13.069 26.462 1.00 71.21 C ATOM 2326 CE2 TYR A 165 -5.326 15.010 27.179 1.00 22.32 C ATOM 2327 CZ TYR A 165 -6.518 14.342 26.993 1.00 31.55 C ATOM 2328 OH TYR A 165 -7.704 14.948 27.340 1.00 44.54 O ATOM 0 H TYR A 165 -2.593 14.860 24.936 1.00 15.11 H new ATOM 0 HA TYR A 165 -1.446 12.224 24.274 1.00 41.54 H new ATOM 0 HB2 TYR A 165 -2.943 11.368 25.967 1.00 13.43 H new ATOM 0 HB3 TYR A 165 -2.054 12.719 26.642 1.00 13.43 H new ATOM 0 HD1 TYR A 165 -5.346 11.467 25.701 1.00 32.20 H new ATOM 0 HD2 TYR A 165 -3.207 14.925 26.974 1.00 20.51 H new ATOM 0 HE1 TYR A 165 -7.463 12.548 26.318 1.00 71.21 H new ATOM 0 HE2 TYR A 165 -5.321 16.006 27.596 1.00 22.32 H new ATOM 0 HH TYR A 165 -7.522 15.841 27.700 1.00 44.54 H new ATOM 2338 N GLU A 166 -3.171 11.510 22.659 1.00 65.30 N ATOM 2339 CA GLU A 166 -4.127 11.122 21.629 1.00 65.25 C ATOM 2340 C GLU A 166 -3.762 9.766 21.031 1.00 70.20 C ATOM 2341 O GLU A 166 -2.681 9.595 20.469 1.00 23.43 O ATOM 2342 CB GLU A 166 -4.178 12.180 20.525 1.00 52.41 C ATOM 2343 CG GLU A 166 -5.585 12.655 20.202 1.00 72.31 C ATOM 2344 CD GLU A 166 -5.634 14.122 19.824 1.00 43.40 C ATOM 2345 OE1 GLU A 166 -4.575 14.675 19.457 1.00 15.22 O ATOM 2346 OE2 GLU A 166 -6.729 14.718 19.895 1.00 3.11 O ATOM 0 H GLU A 166 -2.324 10.942 22.685 1.00 65.30 H new ATOM 0 HA GLU A 166 -5.110 11.043 22.093 1.00 65.25 H new ATOM 0 HB2 GLU A 166 -3.575 13.036 20.826 1.00 52.41 H new ATOM 0 HB3 GLU A 166 -3.725 11.772 19.621 1.00 52.41 H new ATOM 0 HG2 GLU A 166 -5.986 12.059 19.382 1.00 72.31 H new ATOM 0 HG3 GLU A 166 -6.229 12.484 21.065 1.00 72.31 H new ATOM 2353 N GLU A 167 -4.673 8.806 21.158 1.00 62.34 N ATOM 2354 CA GLU A 167 -4.446 7.465 20.631 1.00 34.35 C ATOM 2355 C GLU A 167 -4.097 7.515 19.147 1.00 72.42 C ATOM 2356 O GLU A 167 -4.980 7.493 18.289 1.00 14.44 O ATOM 2357 CB GLU A 167 -5.685 6.593 20.846 1.00 32.32 C ATOM 2358 CG GLU A 167 -6.980 7.257 20.411 1.00 54.40 C ATOM 2359 CD GLU A 167 -7.928 7.504 21.569 1.00 25.12 C ATOM 2360 OE1 GLU A 167 -7.440 7.785 22.684 1.00 22.41 O ATOM 2361 OE2 GLU A 167 -9.156 7.416 21.361 1.00 24.12 O ATOM 0 H GLU A 167 -5.574 8.931 21.620 1.00 62.34 H new ATOM 0 HA GLU A 167 -3.605 7.028 21.169 1.00 34.35 H new ATOM 0 HB2 GLU A 167 -5.562 5.660 20.296 1.00 32.32 H new ATOM 0 HB3 GLU A 167 -5.757 6.333 21.902 1.00 32.32 H new ATOM 0 HG2 GLU A 167 -6.752 8.205 19.925 1.00 54.40 H new ATOM 0 HG3 GLU A 167 -7.474 6.629 19.669 1.00 54.40 H new ATOM 2368 N ASP A 168 -2.804 7.581 18.851 1.00 2.54 N ATOM 2369 CA ASP A 168 -2.336 7.634 17.471 1.00 34.00 C ATOM 2370 C ASP A 168 -0.918 7.085 17.356 1.00 21.23 C ATOM 2371 O ASP A 168 -0.363 6.563 18.322 1.00 35.44 O ATOM 2372 CB ASP A 168 -2.384 9.071 16.948 1.00 33.52 C ATOM 2373 CG ASP A 168 -3.042 9.169 15.586 1.00 41.23 C ATOM 2374 OD1 ASP A 168 -2.526 9.920 14.731 1.00 73.44 O ATOM 2375 OD2 ASP A 168 -4.071 8.495 15.374 1.00 15.32 O ATOM 0 H ASP A 168 -2.060 7.599 19.549 1.00 2.54 H new ATOM 0 HA ASP A 168 -2.997 7.013 16.866 1.00 34.00 H new ATOM 0 HB2 ASP A 168 -2.928 9.695 17.657 1.00 33.52 H new ATOM 0 HB3 ASP A 168 -1.370 9.467 16.888 1.00 33.52 H new ATOM 2380 N GLY A 169 -0.336 7.206 16.167 1.00 60.12 N ATOM 2381 CA GLY A 169 1.012 6.716 15.947 1.00 23.03 C ATOM 2382 C GLY A 169 1.610 7.224 14.650 1.00 34.20 C ATOM 2383 O GLY A 169 0.889 7.680 13.763 1.00 75.15 O ATOM 0 H GLY A 169 -0.774 7.635 15.352 1.00 60.12 H new ATOM 0 HA2 GLY A 169 1.646 7.021 16.780 1.00 23.03 H new ATOM 0 HA3 GLY A 169 1.002 5.626 15.936 1.00 23.03 H new