USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=42 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 75 HIS : no HD1:sc= -1.87 X(o=-2.7,f=-3.1) USER MOD Set 1.2: A 123 CYS SG : rot 146:sc= -0.809 USER MOD Set 2.1: A 66 ASN : amide:sc= -5.28! C(o=-9.2!,f=-18!) USER MOD Set 2.2: A 69 HIS : no HE2:sc= -3.9 K(o=-9.2,f=-12!) USER MOD Set 3.1: A 34 CYS SG : rot 140:sc= -9.66! USER MOD Set 3.2: A 47 CYS SG : rot 102:sc= -12.2! USER MOD Set 4.1: A 17 HIS : no HD1:sc= -11.4! C(o=-13!,f=-14!) USER MOD Set 4.2: A 28 ASN :FLIP amide:sc= 0.359 F(o=-14,f=-13) USER MOD Set 4.3: A 29 CYS SG : rot 180:sc= -1.82 USER MOD Set 5.1: A 18 CYS SG : rot 114:sc= -0.459 USER MOD Set 5.2: A 21 ASN :FLIP amide:sc= -8.35! C(o=-13!,f=-8.8!) USER MOD Single : A 24 ASN : amide:sc= -0.0186 X(o=-0.019,f=-0.019) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 29:sc= 0.793 USER MOD Single : A 27 CYS SG : rot 49:sc= -0.167 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.147) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 HIS :FLIP no HD1:sc= -1.07 F(o=-2.4!,f=-1.1) USER MOD Single : A 50 CYS SG : rot 170:sc= -1.72 USER MOD Single : A 53 ASN :FLIP amide:sc= -0.286 F(o=-1.6,f=-0.29) USER MOD Single : A 54 ASN :FLIP amide:sc= -3.63! C(o=-7.8!,f=-3.6!) USER MOD Single : A 65 CYS SG : rot -44:sc= -0.469 USER MOD Single : A 71 CYS SG : rot 152:sc= 0.0835 USER MOD Single : A 72 HIS : no HD1:sc= -0.853 K(o=-0.85,f=-4.8!) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -0.238 F(o=-0.9,f=-0.24) USER MOD Single : A 74 CYS SG : rot 163:sc= -3.42! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.023 USER MOD Single : A 83 HIS : no HD1:sc= -0.0756 X(o=-0.076,f=-0.3) USER MOD Single : A 84 CYS SG : rot 180:sc= 0.0222 USER MOD Single : A 85 HIS : no HE2:sc= -1.78 K(o=-1.8,f=-4.9!) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 70:sc= 0.0401 USER MOD Single : A 88 CYS SG : rot -26:sc= 0.0633 USER MOD Single : A 99 THR OG1 : rot 0:sc= 0.168 USER MOD Single : A 100 HIS : no HE2:sc= -10.5 K(o=-11,f=-15!) USER MOD Single : A 104 THR OG1 : rot 130:sc= -0.818 USER MOD Single : A 105 LYS NZ :NH3+ -151:sc= -0.0391 (180deg=-0.624) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot -42:sc= -0.248 USER MOD Single : A 125 CYS SG : rot -170:sc= -0.504 USER MOD Single : A 127 CYS SG : rot 68:sc= 0.23 USER MOD Single : A 128 SER OG : rot 120:sc= -1.5 USER MOD Single : A 129 LYS NZ :NH3+ 146:sc= -0.0639 (180deg=-0.741) USER MOD Single : A 133 ASN : amide:sc= -1.12! C(o=-1.1!,f=-1.2!) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot 118:sc= 0.273! USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 163 HIS : no HE2:sc= 0.397 K(o=0.4,f=-1.5) USER MOD Single : A 164 SER OG : rot 180:sc= 0.0259 USER MOD Single : A 165 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 216 N HIS A 17 1.058 -4.524 3.983 1.00 13.25 N ATOM 217 CA HIS A 17 2.156 -4.313 4.920 1.00 41.24 C ATOM 218 C HIS A 17 1.789 -4.819 6.311 1.00 31.32 C ATOM 219 O HIS A 17 0.629 -5.134 6.582 1.00 43.03 O ATOM 220 CB HIS A 17 2.521 -2.830 4.984 1.00 45.40 C ATOM 221 CG HIS A 17 3.760 -2.552 5.779 1.00 12.33 C ATOM 222 ND1 HIS A 17 3.795 -2.594 7.157 1.00 13.01 N ATOM 223 CD2 HIS A 17 5.013 -2.228 5.382 1.00 12.04 C ATOM 224 CE1 HIS A 17 5.015 -2.307 7.573 1.00 1.54 C ATOM 225 NE2 HIS A 17 5.774 -2.081 6.516 1.00 13.20 N ATOM 0 HA HIS A 17 3.018 -4.877 4.564 1.00 41.24 H new ATOM 0 HB2 HIS A 17 2.658 -2.454 3.970 1.00 45.40 H new ATOM 0 HB3 HIS A 17 1.688 -2.278 5.419 1.00 45.40 H new ATOM 0 HD2 HIS A 17 5.351 -2.108 4.363 1.00 12.04 H new ATOM 0 HE1 HIS A 17 5.337 -2.264 8.603 1.00 1.54 H new ATOM 0 HE2 HIS A 17 6.764 -1.837 6.538 1.00 13.20 H new ATOM 233 N CYS A 18 2.783 -4.896 7.189 1.00 60.12 N ATOM 234 CA CYS A 18 2.565 -5.366 8.552 1.00 33.13 C ATOM 235 C CYS A 18 3.151 -4.388 9.565 1.00 41.11 C ATOM 236 O CYS A 18 4.338 -4.065 9.515 1.00 1.15 O ATOM 237 CB CYS A 18 3.187 -6.750 8.743 1.00 71.15 C ATOM 238 SG CYS A 18 2.034 -7.999 9.360 1.00 3.01 S ATOM 0 H CYS A 18 3.748 -4.639 6.981 1.00 60.12 H new ATOM 0 HA CYS A 18 1.490 -5.433 8.719 1.00 33.13 H new ATOM 0 HB2 CYS A 18 3.596 -7.087 7.791 1.00 71.15 H new ATOM 0 HB3 CYS A 18 4.023 -6.668 9.438 1.00 71.15 H new ATOM 0 HG CYS A 18 1.855 -8.911 8.451 1.00 3.01 H new ATOM 244 N ASP A 19 2.311 -3.919 10.481 1.00 4.21 N ATOM 245 CA ASP A 19 2.746 -2.977 11.506 1.00 40.53 C ATOM 246 C ASP A 19 4.244 -3.106 11.762 1.00 2.24 C ATOM 247 O ASP A 19 5.061 -2.799 10.895 1.00 62.32 O ATOM 248 CB ASP A 19 1.972 -3.209 12.804 1.00 14.20 C ATOM 249 CG ASP A 19 0.497 -2.887 12.664 1.00 73.11 C ATOM 250 OD1 ASP A 19 -0.084 -2.334 13.622 1.00 42.15 O ATOM 251 OD2 ASP A 19 -0.077 -3.188 11.596 1.00 2.44 O ATOM 0 H ASP A 19 1.325 -4.176 10.535 1.00 4.21 H new ATOM 0 HA ASP A 19 2.543 -1.968 11.147 1.00 40.53 H new ATOM 0 HB2 ASP A 19 2.086 -4.249 13.111 1.00 14.20 H new ATOM 0 HB3 ASP A 19 2.402 -2.594 13.595 1.00 14.20 H new ATOM 256 N ALA A 20 4.597 -3.561 12.960 1.00 1.53 N ATOM 257 CA ALA A 20 5.996 -3.731 13.331 1.00 64.01 C ATOM 258 C ALA A 20 6.665 -4.799 12.472 1.00 25.03 C ATOM 259 O ALA A 20 7.818 -4.651 12.068 1.00 72.41 O ATOM 260 CB ALA A 20 6.112 -4.088 14.805 1.00 2.55 C ATOM 0 H ALA A 20 3.933 -3.818 13.690 1.00 1.53 H new ATOM 0 HA ALA A 20 6.510 -2.786 13.156 1.00 64.01 H new ATOM 0 HB1 ALA A 20 7.163 -4.212 15.068 1.00 2.55 H new ATOM 0 HB2 ALA A 20 5.679 -3.290 15.408 1.00 2.55 H new ATOM 0 HB3 ALA A 20 5.578 -5.018 14.997 1.00 2.55 H new ATOM 266 N ASN A 21 5.935 -5.875 12.199 1.00 72.04 N ATOM 267 CA ASN A 21 6.459 -6.969 11.389 1.00 52.12 C ATOM 268 C ASN A 21 6.872 -6.473 10.006 1.00 1.25 C ATOM 269 O ASN A 21 7.969 -6.765 9.533 1.00 62.11 O ATOM 270 CB ASN A 21 5.413 -8.077 11.254 1.00 71.45 C ATOM 271 CG ASN A 21 4.102 -7.721 11.928 1.00 23.01 C ATOM 272 OD1 ASN A 21 3.630 -6.502 11.697 1.00 2.14 O flip ATOM 273 ND2 ASN A 21 3.521 -8.533 12.648 1.00 43.54 N flip ATOM 0 H ASN A 21 4.979 -6.013 12.527 1.00 72.04 H new ATOM 0 HA ASN A 21 7.340 -7.369 11.890 1.00 52.12 H new ATOM 0 HB2 ASN A 21 5.233 -8.276 10.198 1.00 71.45 H new ATOM 0 HB3 ASN A 21 5.804 -8.997 11.689 1.00 71.45 H new ATOM 0 HD21 ASN A 21 3.921 -9.459 12.798 1.00 43.54 H new ATOM 0 HD22 ASN A 21 2.640 -8.279 13.095 1.00 43.54 H new ATOM 280 N GLY A 22 5.984 -5.719 9.364 1.00 25.41 N ATOM 281 CA GLY A 22 6.275 -5.194 8.043 1.00 62.11 C ATOM 282 C GLY A 22 7.467 -4.258 8.041 1.00 42.33 C ATOM 283 O GLY A 22 8.357 -4.378 7.199 1.00 20.34 O ATOM 0 H GLY A 22 5.069 -5.463 9.735 1.00 25.41 H new ATOM 0 HA2 GLY A 22 6.466 -6.022 7.360 1.00 62.11 H new ATOM 0 HA3 GLY A 22 5.400 -4.664 7.665 1.00 62.11 H new ATOM 287 N GLU A 23 7.484 -3.321 8.984 1.00 72.01 N ATOM 288 CA GLU A 23 8.575 -2.359 9.085 1.00 51.12 C ATOM 289 C GLU A 23 9.866 -3.044 9.523 1.00 31.30 C ATOM 290 O GLU A 23 10.954 -2.488 9.383 1.00 24.41 O ATOM 291 CB GLU A 23 8.214 -1.247 10.072 1.00 22.13 C ATOM 292 CG GLU A 23 9.210 -0.100 10.087 1.00 2.33 C ATOM 293 CD GLU A 23 8.613 1.184 10.631 1.00 24.22 C ATOM 294 OE1 GLU A 23 9.385 2.035 11.121 1.00 51.21 O ATOM 295 OE2 GLU A 23 7.376 1.337 10.568 1.00 72.05 O ATOM 0 H GLU A 23 6.755 -3.208 9.688 1.00 72.01 H new ATOM 0 HA GLU A 23 8.733 -1.922 8.099 1.00 51.12 H new ATOM 0 HB2 GLU A 23 7.227 -0.857 9.822 1.00 22.13 H new ATOM 0 HB3 GLU A 23 8.145 -1.670 11.074 1.00 22.13 H new ATOM 0 HG2 GLU A 23 10.072 -0.380 10.692 1.00 2.33 H new ATOM 0 HG3 GLU A 23 9.574 0.073 9.074 1.00 2.33 H new ATOM 302 N ASN A 24 9.735 -4.255 10.055 1.00 60.44 N ATOM 303 CA ASN A 24 10.890 -5.017 10.515 1.00 65.02 C ATOM 304 C ASN A 24 11.384 -5.966 9.427 1.00 23.54 C ATOM 305 O ASN A 24 12.570 -6.292 9.365 1.00 25.02 O ATOM 306 CB ASN A 24 10.537 -5.808 11.776 1.00 52.11 C ATOM 307 CG ASN A 24 11.526 -6.923 12.055 1.00 12.05 C ATOM 308 OD1 ASN A 24 12.672 -6.672 12.427 1.00 64.11 O ATOM 309 ND2 ASN A 24 11.085 -8.163 11.877 1.00 2.13 N ATOM 0 H ASN A 24 8.841 -4.730 10.178 1.00 60.44 H new ATOM 0 HA ASN A 24 11.689 -4.313 10.748 1.00 65.02 H new ATOM 0 HB2 ASN A 24 10.507 -5.131 12.630 1.00 52.11 H new ATOM 0 HB3 ASN A 24 9.538 -6.231 11.669 1.00 52.11 H new ATOM 0 HD21 ASN A 24 11.705 -8.954 12.050 1.00 2.13 H new ATOM 0 HD22 ASN A 24 10.127 -8.324 11.567 1.00 2.13 H new ATOM 316 N CYS A 25 10.467 -6.406 8.573 1.00 64.22 N ATOM 317 CA CYS A 25 10.809 -7.319 7.487 1.00 0.43 C ATOM 318 C CYS A 25 10.913 -6.572 6.162 1.00 42.34 C ATOM 319 O CYS A 25 11.898 -6.709 5.436 1.00 40.10 O ATOM 320 CB CYS A 25 9.764 -8.430 7.380 1.00 61.14 C ATOM 321 SG CYS A 25 10.449 -10.100 7.489 1.00 73.15 S ATOM 0 H CYS A 25 9.481 -6.146 8.611 1.00 64.22 H new ATOM 0 HA CYS A 25 11.779 -7.763 7.710 1.00 0.43 H new ATOM 0 HB2 CYS A 25 9.027 -8.299 8.172 1.00 61.14 H new ATOM 0 HB3 CYS A 25 9.235 -8.327 6.432 1.00 61.14 H new ATOM 0 HG CYS A 25 9.488 -10.970 7.391 1.00 73.15 H new ATOM 327 N SER A 26 9.890 -5.782 5.851 1.00 31.22 N ATOM 328 CA SER A 26 9.864 -5.017 4.610 1.00 74.41 C ATOM 329 C SER A 26 9.096 -3.711 4.793 1.00 64.55 C ATOM 330 O SER A 26 7.880 -3.715 4.985 1.00 72.23 O ATOM 331 CB SER A 26 9.227 -5.844 3.490 1.00 4.34 C ATOM 332 OG SER A 26 7.880 -6.162 3.794 1.00 24.32 O ATOM 0 H SER A 26 9.068 -5.655 6.442 1.00 31.22 H new ATOM 0 HA SER A 26 10.892 -4.779 4.337 1.00 74.41 H new ATOM 0 HB2 SER A 26 9.270 -5.288 2.553 1.00 4.34 H new ATOM 0 HB3 SER A 26 9.796 -6.762 3.342 1.00 4.34 H new ATOM 0 HG SER A 26 7.498 -5.460 4.361 1.00 24.32 H new ATOM 338 N CYS A 27 9.816 -2.597 4.731 1.00 11.43 N ATOM 339 CA CYS A 27 9.204 -1.282 4.891 1.00 62.04 C ATOM 340 C CYS A 27 8.970 -0.623 3.535 1.00 22.31 C ATOM 341 O CYS A 27 9.862 0.021 2.985 1.00 61.12 O ATOM 342 CB CYS A 27 10.088 -0.387 5.760 1.00 25.23 C ATOM 343 SG CYS A 27 11.823 -0.343 5.250 1.00 34.52 S ATOM 0 H CYS A 27 10.823 -2.577 4.571 1.00 11.43 H new ATOM 0 HA CYS A 27 8.240 -1.415 5.382 1.00 62.04 H new ATOM 0 HB2 CYS A 27 9.689 0.627 5.741 1.00 25.23 H new ATOM 0 HB3 CYS A 27 10.033 -0.732 6.792 1.00 25.23 H new ATOM 0 HG CYS A 27 11.894 -0.117 3.972 1.00 34.52 H new ATOM 349 N ASN A 28 7.764 -0.791 3.002 1.00 65.33 N ATOM 350 CA ASN A 28 7.414 -0.215 1.709 1.00 54.22 C ATOM 351 C ASN A 28 5.908 -0.289 1.470 1.00 25.25 C ATOM 352 O ASN A 28 5.456 -0.428 0.333 1.00 31.25 O ATOM 353 CB ASN A 28 8.156 -0.941 0.585 1.00 53.11 C ATOM 354 CG ASN A 28 8.394 -2.405 0.901 1.00 1.20 C ATOM 355 OD1 ASN A 28 9.651 -2.761 1.139 1.00 21.11 O flip ATOM 356 ND2 ASN A 28 7.459 -3.205 0.931 1.00 31.50 N flip ATOM 0 H ASN A 28 7.013 -1.321 3.445 1.00 65.33 H new ATOM 0 HA ASN A 28 7.713 0.833 1.714 1.00 54.22 H new ATOM 0 HB2 ASN A 28 7.581 -0.860 -0.338 1.00 53.11 H new ATOM 0 HB3 ASN A 28 9.113 -0.450 0.409 1.00 53.11 H new ATOM 0 HD21 ASN A 28 6.509 -2.886 0.741 1.00 31.50 H new ATOM 0 HD22 ASN A 28 7.634 -4.187 1.145 1.00 31.50 H new ATOM 363 N CYS A 29 5.139 -0.195 2.549 1.00 21.12 N ATOM 364 CA CYS A 29 3.684 -0.252 2.458 1.00 4.20 C ATOM 365 C CYS A 29 3.045 -0.032 3.825 1.00 0.22 C ATOM 366 O CYS A 29 3.741 0.144 4.825 1.00 53.33 O ATOM 367 CB CYS A 29 3.241 -1.598 1.885 1.00 74.33 C ATOM 368 SG CYS A 29 4.449 -2.926 2.099 1.00 61.12 S ATOM 0 H CYS A 29 5.498 -0.079 3.497 1.00 21.12 H new ATOM 0 HA CYS A 29 3.354 0.545 1.791 1.00 4.20 H new ATOM 0 HB2 CYS A 29 2.305 -1.893 2.360 1.00 74.33 H new ATOM 0 HB3 CYS A 29 3.034 -1.478 0.822 1.00 74.33 H new ATOM 0 HG CYS A 29 3.982 -4.024 1.584 1.00 61.12 H new ATOM 374 N GLU A 30 1.716 -0.042 3.860 1.00 41.12 N ATOM 375 CA GLU A 30 0.984 0.159 5.105 1.00 54.25 C ATOM 376 C GLU A 30 -0.430 -0.407 5.002 1.00 63.14 C ATOM 377 O GLU A 30 -1.315 0.208 4.406 1.00 35.22 O ATOM 378 CB GLU A 30 0.924 1.648 5.452 1.00 1.04 C ATOM 379 CG GLU A 30 0.582 2.537 4.268 1.00 31.44 C ATOM 380 CD GLU A 30 0.554 4.008 4.632 1.00 11.33 C ATOM 381 OE1 GLU A 30 1.584 4.687 4.436 1.00 51.01 O ATOM 382 OE2 GLU A 30 -0.497 4.481 5.113 1.00 2.33 O ATOM 0 H GLU A 30 1.125 -0.187 3.041 1.00 41.12 H new ATOM 0 HA GLU A 30 1.513 -0.371 5.897 1.00 54.25 H new ATOM 0 HB2 GLU A 30 0.182 1.800 6.236 1.00 1.04 H new ATOM 0 HB3 GLU A 30 1.886 1.956 5.861 1.00 1.04 H new ATOM 0 HG2 GLU A 30 1.313 2.377 3.475 1.00 31.44 H new ATOM 0 HG3 GLU A 30 -0.390 2.247 3.869 1.00 31.44 H new ATOM 389 N LEU A 31 -0.633 -1.583 5.585 1.00 33.01 N ATOM 390 CA LEU A 31 -1.939 -2.234 5.560 1.00 65.15 C ATOM 391 C LEU A 31 -2.020 -3.333 6.614 1.00 2.25 C ATOM 392 O LEU A 31 -1.047 -3.605 7.319 1.00 53.31 O ATOM 393 CB LEU A 31 -2.210 -2.821 4.173 1.00 35.14 C ATOM 394 CG LEU A 31 -3.290 -2.121 3.348 1.00 53.31 C ATOM 395 CD1 LEU A 31 -3.357 -2.709 1.947 1.00 1.11 C ATOM 396 CD2 LEU A 31 -4.642 -2.228 4.038 1.00 14.41 C ATOM 0 H LEU A 31 0.089 -2.105 6.081 1.00 33.01 H new ATOM 0 HA LEU A 31 -2.697 -1.484 5.786 1.00 65.15 H new ATOM 0 HB2 LEU A 31 -1.280 -2.805 3.605 1.00 35.14 H new ATOM 0 HB3 LEU A 31 -2.493 -3.867 4.292 1.00 35.14 H new ATOM 0 HG LEU A 31 -3.029 -1.066 3.265 1.00 53.31 H new ATOM 0 HD11 LEU A 31 -4.131 -2.198 1.375 1.00 1.11 H new ATOM 0 HD12 LEU A 31 -2.395 -2.580 1.452 1.00 1.11 H new ATOM 0 HD13 LEU A 31 -3.593 -3.771 2.009 1.00 1.11 H new ATOM 0 HD21 LEU A 31 -5.398 -1.724 3.436 1.00 14.41 H new ATOM 0 HD22 LEU A 31 -4.910 -3.278 4.153 1.00 14.41 H new ATOM 0 HD23 LEU A 31 -4.587 -1.758 5.020 1.00 14.41 H new ATOM 408 N PHE A 32 -3.185 -3.963 6.717 1.00 53.24 N ATOM 409 CA PHE A 32 -3.393 -5.033 7.685 1.00 75.44 C ATOM 410 C PHE A 32 -2.977 -6.381 7.103 1.00 74.22 C ATOM 411 O PHE A 32 -3.649 -6.925 6.226 1.00 33.12 O ATOM 412 CB PHE A 32 -4.861 -5.082 8.115 1.00 21.22 C ATOM 413 CG PHE A 32 -5.825 -4.863 6.985 1.00 50.24 C ATOM 414 CD1 PHE A 32 -6.292 -3.592 6.692 1.00 54.22 C ATOM 415 CD2 PHE A 32 -6.264 -5.928 6.215 1.00 54.11 C ATOM 416 CE1 PHE A 32 -7.179 -3.386 5.652 1.00 74.42 C ATOM 417 CE2 PHE A 32 -7.151 -5.729 5.173 1.00 1.44 C ATOM 418 CZ PHE A 32 -7.610 -4.457 4.892 1.00 1.53 C ATOM 0 H PHE A 32 -4.000 -3.751 6.142 1.00 53.24 H new ATOM 0 HA PHE A 32 -2.773 -4.826 8.557 1.00 75.44 H new ATOM 0 HB2 PHE A 32 -5.065 -6.050 8.573 1.00 21.22 H new ATOM 0 HB3 PHE A 32 -5.033 -4.325 8.880 1.00 21.22 H new ATOM 0 HD1 PHE A 32 -5.959 -2.752 7.283 1.00 54.22 H new ATOM 0 HD2 PHE A 32 -5.909 -6.925 6.431 1.00 54.11 H new ATOM 0 HE1 PHE A 32 -7.535 -2.390 5.434 1.00 74.42 H new ATOM 0 HE2 PHE A 32 -7.485 -6.567 4.579 1.00 1.44 H new ATOM 0 HZ PHE A 32 -8.304 -4.300 4.080 1.00 1.53 H new ATOM 428 N ASP A 33 -1.865 -6.914 7.597 1.00 51.24 N ATOM 429 CA ASP A 33 -1.358 -8.198 7.127 1.00 34.10 C ATOM 430 C ASP A 33 -1.298 -9.209 8.268 1.00 14.32 C ATOM 431 O ASP A 33 -0.905 -8.876 9.387 1.00 54.33 O ATOM 432 CB ASP A 33 0.029 -8.027 6.507 1.00 24.22 C ATOM 433 CG ASP A 33 0.716 -9.354 6.249 1.00 33.22 C ATOM 434 OD1 ASP A 33 1.135 -10.006 7.229 1.00 40.03 O ATOM 435 OD2 ASP A 33 0.833 -9.741 5.068 1.00 74.40 O ATOM 0 H ASP A 33 -1.297 -6.477 8.323 1.00 51.24 H new ATOM 0 HA ASP A 33 -2.043 -8.575 6.367 1.00 34.10 H new ATOM 0 HB2 ASP A 33 -0.061 -7.479 5.569 1.00 24.22 H new ATOM 0 HB3 ASP A 33 0.648 -7.424 7.171 1.00 24.22 H new ATOM 440 N CYS A 34 -1.692 -10.444 7.979 1.00 63.54 N ATOM 441 CA CYS A 34 -1.685 -11.504 8.980 1.00 63.12 C ATOM 442 C CYS A 34 -2.151 -12.826 8.376 1.00 1.11 C ATOM 443 O CYS A 34 -3.266 -12.927 7.865 1.00 44.42 O ATOM 444 CB CYS A 34 -2.582 -11.125 10.160 1.00 64.30 C ATOM 445 SG CYS A 34 -2.638 -12.377 11.483 1.00 42.43 S ATOM 0 H CYS A 34 -2.021 -10.736 7.059 1.00 63.54 H new ATOM 0 HA CYS A 34 -0.662 -11.628 9.335 1.00 63.12 H new ATOM 0 HB2 CYS A 34 -2.232 -10.182 10.581 1.00 64.30 H new ATOM 0 HB3 CYS A 34 -3.594 -10.954 9.793 1.00 64.30 H new ATOM 0 HG CYS A 34 -2.636 -11.785 12.641 1.00 42.43 H new ATOM 450 N GLU A 35 -1.289 -13.836 8.440 1.00 32.13 N ATOM 451 CA GLU A 35 -1.613 -15.151 7.900 1.00 60.04 C ATOM 452 C GLU A 35 -0.483 -16.142 8.164 1.00 2.44 C ATOM 453 O GLU A 35 0.693 -15.780 8.137 1.00 0.55 O ATOM 454 CB GLU A 35 -1.882 -15.057 6.396 1.00 5.32 C ATOM 455 CG GLU A 35 -0.801 -14.311 5.631 1.00 73.45 C ATOM 456 CD GLU A 35 -1.110 -14.195 4.150 1.00 20.15 C ATOM 457 OE1 GLU A 35 -2.009 -13.405 3.793 1.00 44.12 O ATOM 458 OE2 GLU A 35 -0.454 -14.894 3.350 1.00 2.23 O ATOM 0 H GLU A 35 -0.362 -13.769 8.860 1.00 32.13 H new ATOM 0 HA GLU A 35 -2.512 -15.510 8.402 1.00 60.04 H new ATOM 0 HB2 GLU A 35 -1.975 -16.064 5.988 1.00 5.32 H new ATOM 0 HB3 GLU A 35 -2.838 -14.559 6.237 1.00 5.32 H new ATOM 0 HG2 GLU A 35 -0.685 -13.313 6.054 1.00 73.45 H new ATOM 0 HG3 GLU A 35 0.151 -14.825 5.761 1.00 73.45 H new ATOM 465 N ALA A 36 -0.849 -17.393 8.421 1.00 62.23 N ATOM 466 CA ALA A 36 0.133 -18.437 8.689 1.00 40.50 C ATOM 467 C ALA A 36 0.889 -18.818 7.421 1.00 70.22 C ATOM 468 O ALA A 36 0.326 -18.819 6.326 1.00 13.10 O ATOM 469 CB ALA A 36 -0.546 -19.659 9.289 1.00 52.21 C ATOM 0 H ALA A 36 -1.819 -17.709 8.449 1.00 62.23 H new ATOM 0 HA ALA A 36 0.854 -18.047 9.407 1.00 40.50 H new ATOM 0 HB1 ALA A 36 0.199 -20.430 9.484 1.00 52.21 H new ATOM 0 HB2 ALA A 36 -1.034 -19.382 10.223 1.00 52.21 H new ATOM 0 HB3 ALA A 36 -1.290 -20.042 8.590 1.00 52.21 H new ATOM 475 N LYS A 37 2.168 -19.142 7.575 1.00 4.11 N ATOM 476 CA LYS A 37 3.003 -19.526 6.443 1.00 72.32 C ATOM 477 C LYS A 37 4.281 -20.212 6.916 1.00 15.44 C ATOM 478 O LYS A 37 5.180 -19.567 7.457 1.00 53.04 O ATOM 479 CB LYS A 37 3.353 -18.297 5.600 1.00 34.53 C ATOM 480 CG LYS A 37 3.293 -18.549 4.104 1.00 62.24 C ATOM 481 CD LYS A 37 4.249 -19.654 3.686 1.00 74.43 C ATOM 482 CE LYS A 37 4.928 -19.333 2.364 1.00 64.04 C ATOM 483 NZ LYS A 37 4.143 -19.830 1.201 1.00 74.45 N ATOM 0 H LYS A 37 2.650 -19.146 8.474 1.00 4.11 H new ATOM 0 HA LYS A 37 2.439 -20.230 5.831 1.00 72.32 H new ATOM 0 HB2 LYS A 37 2.668 -17.487 5.851 1.00 34.53 H new ATOM 0 HB3 LYS A 37 4.355 -17.960 5.863 1.00 34.53 H new ATOM 0 HG2 LYS A 37 2.276 -18.820 3.820 1.00 62.24 H new ATOM 0 HG3 LYS A 37 3.540 -17.632 3.569 1.00 62.24 H new ATOM 0 HD2 LYS A 37 5.004 -19.795 4.459 1.00 74.43 H new ATOM 0 HD3 LYS A 37 3.704 -20.594 3.598 1.00 74.43 H new ATOM 0 HE2 LYS A 37 5.062 -18.255 2.277 1.00 64.04 H new ATOM 0 HE3 LYS A 37 5.922 -19.780 2.349 1.00 64.04 H new ATOM 0 HZ1 LYS A 37 4.640 -19.591 0.319 1.00 74.45 H new ATOM 0 HZ2 LYS A 37 4.037 -20.862 1.270 1.00 74.45 H new ATOM 0 HZ3 LYS A 37 3.203 -19.384 1.200 1.00 74.45 H new ATOM 497 N LYS A 38 4.355 -21.522 6.709 1.00 3.13 N ATOM 498 CA LYS A 38 5.524 -22.295 7.112 1.00 30.21 C ATOM 499 C LYS A 38 5.506 -23.681 6.475 1.00 52.24 C ATOM 500 O LYS A 38 4.808 -24.589 6.926 1.00 25.35 O ATOM 501 CB LYS A 38 5.575 -22.424 8.636 1.00 22.12 C ATOM 502 CG LYS A 38 4.312 -23.014 9.240 1.00 42.05 C ATOM 503 CD LYS A 38 4.565 -24.394 9.822 1.00 33.42 C ATOM 504 CE LYS A 38 3.292 -25.227 9.854 1.00 64.43 C ATOM 505 NZ LYS A 38 2.173 -24.505 10.519 1.00 20.11 N ATOM 0 H LYS A 38 3.619 -22.071 6.264 1.00 3.13 H new ATOM 0 HA LYS A 38 6.413 -21.767 6.768 1.00 30.21 H new ATOM 0 HB2 LYS A 38 6.425 -23.048 8.911 1.00 22.12 H new ATOM 0 HB3 LYS A 38 5.749 -21.439 9.070 1.00 22.12 H new ATOM 0 HG2 LYS A 38 3.937 -22.352 10.021 1.00 42.05 H new ATOM 0 HG3 LYS A 38 3.537 -23.077 8.476 1.00 42.05 H new ATOM 0 HD2 LYS A 38 5.322 -24.907 9.229 1.00 33.42 H new ATOM 0 HD3 LYS A 38 4.963 -24.297 10.832 1.00 33.42 H new ATOM 0 HE2 LYS A 38 3.002 -25.487 8.836 1.00 64.43 H new ATOM 0 HE3 LYS A 38 3.483 -26.163 10.379 1.00 64.43 H new ATOM 0 HZ1 LYS A 38 1.393 -25.168 10.703 1.00 20.11 H new ATOM 0 HZ2 LYS A 38 2.505 -24.103 11.419 1.00 20.11 H new ATOM 0 HZ3 LYS A 38 1.838 -23.739 9.900 1.00 20.11 H new ATOM 519 N PRO A 39 6.291 -23.849 5.400 1.00 31.12 N ATOM 520 CA PRO A 39 6.384 -25.122 4.679 1.00 33.12 C ATOM 521 C PRO A 39 7.097 -26.197 5.491 1.00 25.52 C ATOM 522 O PRO A 39 6.523 -27.244 5.794 1.00 43.41 O ATOM 523 CB PRO A 39 7.197 -24.765 3.433 1.00 60.35 C ATOM 524 CG PRO A 39 8.000 -23.576 3.832 1.00 51.42 C ATOM 525 CD PRO A 39 7.149 -22.810 4.807 1.00 51.12 C ATOM 0 HA PRO A 39 5.401 -25.538 4.458 1.00 33.12 H new ATOM 0 HB2 PRO A 39 7.839 -25.592 3.129 1.00 60.35 H new ATOM 0 HB3 PRO A 39 6.547 -24.538 2.588 1.00 60.35 H new ATOM 0 HG2 PRO A 39 8.942 -23.877 4.289 1.00 51.42 H new ATOM 0 HG3 PRO A 39 8.248 -22.964 2.965 1.00 51.42 H new ATOM 0 HD2 PRO A 39 7.755 -22.310 5.562 1.00 51.12 H new ATOM 0 HD3 PRO A 39 6.561 -22.040 4.308 1.00 51.12 H new ATOM 533 N ASP A 40 8.351 -25.933 5.841 1.00 64.20 N ATOM 534 CA ASP A 40 9.143 -26.878 6.620 1.00 63.23 C ATOM 535 C ASP A 40 10.566 -26.363 6.816 1.00 71.34 C ATOM 536 O ASP A 40 11.522 -27.138 6.825 1.00 15.03 O ATOM 537 CB ASP A 40 9.172 -28.243 5.929 1.00 1.34 C ATOM 538 CG ASP A 40 8.810 -29.375 6.870 1.00 34.10 C ATOM 539 OD1 ASP A 40 7.856 -30.120 6.562 1.00 72.50 O ATOM 540 OD2 ASP A 40 9.480 -29.517 7.914 1.00 41.43 O ATOM 0 H ASP A 40 8.841 -25.072 5.598 1.00 64.20 H new ATOM 0 HA ASP A 40 8.676 -26.985 7.599 1.00 63.23 H new ATOM 0 HB2 ASP A 40 8.478 -28.237 5.089 1.00 1.34 H new ATOM 0 HB3 ASP A 40 10.167 -28.419 5.519 1.00 1.34 H new ATOM 545 N GLY A 41 10.698 -25.049 6.970 1.00 24.33 N ATOM 546 CA GLY A 41 12.008 -24.453 7.162 1.00 34.34 C ATOM 547 C GLY A 41 11.958 -23.214 8.033 1.00 1.43 C ATOM 548 O GLY A 41 12.824 -23.009 8.884 1.00 31.51 O ATOM 0 H GLY A 41 9.922 -24.387 6.965 1.00 24.33 H new ATOM 0 HA2 GLY A 41 12.674 -25.186 7.616 1.00 34.34 H new ATOM 0 HA3 GLY A 41 12.432 -24.195 6.192 1.00 34.34 H new ATOM 552 N SER A 42 10.943 -22.382 7.820 1.00 70.42 N ATOM 553 CA SER A 42 10.787 -21.153 8.588 1.00 21.04 C ATOM 554 C SER A 42 9.337 -20.965 9.024 1.00 40.33 C ATOM 555 O SER A 42 8.478 -21.798 8.736 1.00 35.22 O ATOM 556 CB SER A 42 11.244 -19.949 7.763 1.00 51.15 C ATOM 557 OG SER A 42 12.547 -20.151 7.244 1.00 2.02 O ATOM 0 H SER A 42 10.216 -22.537 7.121 1.00 70.42 H new ATOM 0 HA SER A 42 11.409 -21.230 9.480 1.00 21.04 H new ATOM 0 HB2 SER A 42 10.545 -19.779 6.944 1.00 51.15 H new ATOM 0 HB3 SER A 42 11.231 -19.053 8.384 1.00 51.15 H new ATOM 0 HG SER A 42 12.815 -19.368 6.719 1.00 2.02 H new ATOM 563 N TYR A 43 9.073 -19.864 9.719 1.00 61.11 N ATOM 564 CA TYR A 43 7.728 -19.566 10.197 1.00 62.11 C ATOM 565 C TYR A 43 7.328 -18.137 9.842 1.00 72.43 C ATOM 566 O TYR A 43 8.128 -17.210 9.957 1.00 0.21 O ATOM 567 CB TYR A 43 7.646 -19.769 11.711 1.00 74.33 C ATOM 568 CG TYR A 43 7.250 -21.172 12.113 1.00 75.14 C ATOM 569 CD1 TYR A 43 8.128 -22.236 11.950 1.00 71.41 C ATOM 570 CD2 TYR A 43 5.997 -21.433 12.654 1.00 60.50 C ATOM 571 CE1 TYR A 43 7.770 -23.520 12.315 1.00 43.11 C ATOM 572 CE2 TYR A 43 5.631 -22.713 13.023 1.00 24.43 C ATOM 573 CZ TYR A 43 6.521 -23.753 12.852 1.00 63.24 C ATOM 574 OH TYR A 43 6.160 -25.030 13.217 1.00 43.11 O ATOM 0 H TYR A 43 9.773 -19.163 9.964 1.00 61.11 H new ATOM 0 HA TYR A 43 7.035 -20.250 9.707 1.00 62.11 H new ATOM 0 HB2 TYR A 43 8.614 -19.533 12.154 1.00 74.33 H new ATOM 0 HB3 TYR A 43 6.925 -19.064 12.125 1.00 74.33 H new ATOM 0 HD1 TYR A 43 9.107 -22.057 11.531 1.00 71.41 H new ATOM 0 HD2 TYR A 43 5.297 -20.621 12.788 1.00 60.50 H new ATOM 0 HE1 TYR A 43 8.464 -24.336 12.181 1.00 43.11 H new ATOM 0 HE2 TYR A 43 4.653 -22.898 13.443 1.00 24.43 H new ATOM 0 HH TYR A 43 5.249 -25.022 13.579 1.00 43.11 H new ATOM 584 N ALA A 44 6.082 -17.969 9.409 1.00 24.13 N ATOM 585 CA ALA A 44 5.573 -16.654 9.039 1.00 23.45 C ATOM 586 C ALA A 44 4.074 -16.553 9.299 1.00 70.42 C ATOM 587 O ALA A 44 3.264 -16.713 8.385 1.00 14.43 O ATOM 588 CB ALA A 44 5.879 -16.362 7.578 1.00 51.00 C ATOM 0 H ALA A 44 5.407 -18.727 9.306 1.00 24.13 H new ATOM 0 HA ALA A 44 6.073 -15.910 9.659 1.00 23.45 H new ATOM 0 HB1 ALA A 44 5.493 -15.377 7.315 1.00 51.00 H new ATOM 0 HB2 ALA A 44 6.957 -16.383 7.421 1.00 51.00 H new ATOM 0 HB3 ALA A 44 5.406 -17.116 6.949 1.00 51.00 H new ATOM 594 N HIS A 45 3.711 -16.289 10.550 1.00 51.41 N ATOM 595 CA HIS A 45 2.308 -16.167 10.929 1.00 12.42 C ATOM 596 C HIS A 45 2.090 -14.948 11.822 1.00 62.43 C ATOM 597 O HIS A 45 1.325 -14.984 12.786 1.00 44.31 O ATOM 598 CB HIS A 45 1.841 -17.431 11.650 1.00 74.50 C ATOM 599 CG HIS A 45 2.592 -17.712 12.915 1.00 63.44 C ATOM 600 ND1 HIS A 45 3.922 -17.805 13.152 1.00 43.32 N flip ATOM 601 CD2 HIS A 45 1.971 -17.939 14.125 1.00 14.14 C flip ATOM 602 CE1 HIS A 45 4.078 -18.081 14.488 1.00 61.44 C flip ATOM 603 NE2 HIS A 45 2.886 -18.156 15.053 1.00 30.24 N flip ATOM 0 H HIS A 45 4.369 -16.156 11.318 1.00 51.41 H new ATOM 0 HA HIS A 45 1.722 -16.039 10.019 1.00 12.42 H new ATOM 0 HB2 HIS A 45 0.780 -17.337 11.881 1.00 74.50 H new ATOM 0 HB3 HIS A 45 1.947 -18.283 10.978 1.00 74.50 H new ATOM 0 HD2 HIS A 45 0.903 -17.939 14.289 1.00 14.14 H new ATOM 0 HE1 HIS A 45 5.022 -18.215 14.995 1.00 61.44 H new ATOM 0 HE2 HIS A 45 2.703 -18.349 16.038 1.00 30.24 H new ATOM 611 N PRO A 46 2.779 -13.844 11.495 1.00 34.44 N ATOM 612 CA PRO A 46 2.677 -12.595 12.255 1.00 2.12 C ATOM 613 C PRO A 46 1.321 -11.919 12.082 1.00 62.33 C ATOM 614 O PRO A 46 0.400 -12.494 11.501 1.00 14.32 O ATOM 615 CB PRO A 46 3.788 -11.726 11.659 1.00 74.21 C ATOM 616 CG PRO A 46 3.983 -12.254 10.280 1.00 75.53 C ATOM 617 CD PRO A 46 3.708 -13.731 10.359 1.00 3.21 C ATOM 0 HA PRO A 46 2.776 -12.762 13.328 1.00 2.12 H new ATOM 0 HB2 PRO A 46 3.503 -10.674 11.644 1.00 74.21 H new ATOM 0 HB3 PRO A 46 4.705 -11.799 12.244 1.00 74.21 H new ATOM 0 HG2 PRO A 46 3.306 -11.768 9.577 1.00 75.53 H new ATOM 0 HG3 PRO A 46 4.997 -12.064 9.929 1.00 75.53 H new ATOM 0 HD2 PRO A 46 3.264 -14.107 9.437 1.00 3.21 H new ATOM 0 HD3 PRO A 46 4.621 -14.301 10.528 1.00 3.21 H new ATOM 625 N CYS A 47 1.206 -10.696 12.588 1.00 33.32 N ATOM 626 CA CYS A 47 -0.038 -9.942 12.490 1.00 42.44 C ATOM 627 C CYS A 47 0.185 -8.476 12.853 1.00 61.25 C ATOM 628 O CYS A 47 1.142 -8.137 13.549 1.00 31.20 O ATOM 629 CB CYS A 47 -1.102 -10.549 13.406 1.00 63.31 C ATOM 630 SG CYS A 47 -2.812 -10.280 12.840 1.00 12.42 S ATOM 0 H CYS A 47 1.959 -10.206 13.070 1.00 33.32 H new ATOM 0 HA CYS A 47 -0.385 -9.995 11.458 1.00 42.44 H new ATOM 0 HB2 CYS A 47 -0.924 -11.621 13.492 1.00 63.31 H new ATOM 0 HB3 CYS A 47 -0.990 -10.126 14.404 1.00 63.31 H new ATOM 0 HG CYS A 47 -3.260 -11.365 12.281 1.00 12.42 H new ATOM 635 N ARG A 48 -0.705 -7.612 12.376 1.00 72.33 N ATOM 636 CA ARG A 48 -0.606 -6.184 12.649 1.00 44.32 C ATOM 637 C ARG A 48 -0.540 -5.921 14.150 1.00 1.54 C ATOM 638 O ARG A 48 -0.502 -4.770 14.588 1.00 73.41 O ATOM 639 CB ARG A 48 -1.798 -5.443 12.042 1.00 14.50 C ATOM 640 CG ARG A 48 -3.138 -6.096 12.340 1.00 23.54 C ATOM 641 CD ARG A 48 -4.294 -5.147 12.068 1.00 31.20 C ATOM 642 NE ARG A 48 -5.529 -5.863 11.759 1.00 21.32 N ATOM 643 CZ ARG A 48 -6.701 -5.264 11.583 1.00 34.43 C ATOM 644 NH1 ARG A 48 -6.798 -3.946 11.685 1.00 40.00 N ATOM 645 NH2 ARG A 48 -7.780 -5.985 11.305 1.00 55.43 N ATOM 0 H ARG A 48 -1.503 -7.877 11.798 1.00 72.33 H new ATOM 0 HA ARG A 48 0.312 -5.815 12.192 1.00 44.32 H new ATOM 0 HB2 ARG A 48 -1.810 -4.421 12.420 1.00 14.50 H new ATOM 0 HB3 ARG A 48 -1.665 -5.382 10.962 1.00 14.50 H new ATOM 0 HG2 ARG A 48 -3.251 -6.992 11.730 1.00 23.54 H new ATOM 0 HG3 ARG A 48 -3.165 -6.414 13.382 1.00 23.54 H new ATOM 0 HD2 ARG A 48 -4.452 -4.510 12.938 1.00 31.20 H new ATOM 0 HD3 ARG A 48 -4.037 -4.492 11.236 1.00 31.20 H new ATOM 0 HE ARG A 48 -5.489 -6.879 11.674 1.00 21.32 H new ATOM 0 HH11 ARG A 48 -5.971 -3.389 11.899 1.00 40.00 H new ATOM 0 HH12 ARG A 48 -7.700 -3.489 11.549 1.00 40.00 H new ATOM 0 HH21 ARG A 48 -7.709 -7.000 11.227 1.00 55.43 H new ATOM 0 HH22 ARG A 48 -8.680 -5.525 11.170 1.00 55.43 H new ATOM 659 N ARG A 49 -0.527 -6.994 14.934 1.00 50.10 N ATOM 660 CA ARG A 49 -0.468 -6.879 16.386 1.00 3.01 C ATOM 661 C ARG A 49 -0.692 -8.235 17.048 1.00 21.24 C ATOM 662 O ARG A 49 -1.767 -8.505 17.586 1.00 41.24 O ATOM 663 CB ARG A 49 -1.513 -5.878 16.883 1.00 45.01 C ATOM 664 CG ARG A 49 -2.877 -6.051 16.237 1.00 34.30 C ATOM 665 CD ARG A 49 -3.424 -4.727 15.726 1.00 60.51 C ATOM 666 NE ARG A 49 -4.140 -3.993 16.765 1.00 2.25 N ATOM 667 CZ ARG A 49 -5.052 -3.061 16.511 1.00 30.34 C ATOM 668 NH1 ARG A 49 -5.358 -2.753 15.259 1.00 53.31 N ATOM 669 NH2 ARG A 49 -5.660 -2.437 17.512 1.00 55.44 N ATOM 0 H ARG A 49 -0.557 -7.953 14.588 1.00 50.10 H new ATOM 0 HA ARG A 49 0.525 -6.521 16.657 1.00 3.01 H new ATOM 0 HB2 ARG A 49 -1.616 -5.980 17.963 1.00 45.01 H new ATOM 0 HB3 ARG A 49 -1.155 -4.866 16.691 1.00 45.01 H new ATOM 0 HG2 ARG A 49 -2.802 -6.758 15.411 1.00 34.30 H new ATOM 0 HG3 ARG A 49 -3.572 -6.478 16.960 1.00 34.30 H new ATOM 0 HD2 ARG A 49 -2.603 -4.116 15.351 1.00 60.51 H new ATOM 0 HD3 ARG A 49 -4.093 -4.911 14.886 1.00 60.51 H new ATOM 0 HE ARG A 49 -3.928 -4.207 17.740 1.00 2.25 H new ATOM 0 HH11 ARG A 49 -4.893 -3.232 14.488 1.00 53.31 H new ATOM 0 HH12 ARG A 49 -6.059 -2.037 15.067 1.00 53.31 H new ATOM 0 HH21 ARG A 49 -5.427 -2.673 18.477 1.00 55.44 H new ATOM 0 HH22 ARG A 49 -6.360 -1.721 17.317 1.00 55.44 H new ATOM 683 N CYS A 50 0.329 -9.084 17.006 1.00 73.44 N ATOM 684 CA CYS A 50 0.243 -10.414 17.600 1.00 11.53 C ATOM 685 C CYS A 50 1.631 -10.949 17.937 1.00 13.14 C ATOM 686 O CYS A 50 2.632 -10.250 17.779 1.00 71.43 O ATOM 687 CB CYS A 50 -0.471 -11.375 16.649 1.00 21.33 C ATOM 688 SG CYS A 50 0.638 -12.281 15.546 1.00 64.51 S ATOM 0 H CYS A 50 1.226 -8.875 16.567 1.00 73.44 H new ATOM 0 HA CYS A 50 -0.331 -10.337 18.524 1.00 11.53 H new ATOM 0 HB2 CYS A 50 -1.046 -12.091 17.237 1.00 21.33 H new ATOM 0 HB3 CYS A 50 -1.184 -10.811 16.047 1.00 21.33 H new ATOM 0 HG CYS A 50 -0.027 -13.216 14.934 1.00 64.51 H new ATOM 694 N ASP A 51 1.682 -12.191 18.405 1.00 62.43 N ATOM 695 CA ASP A 51 2.947 -12.821 18.765 1.00 2.23 C ATOM 696 C ASP A 51 3.250 -13.999 17.845 1.00 74.30 C ATOM 697 O ASP A 51 2.870 -15.135 18.129 1.00 15.21 O ATOM 698 CB ASP A 51 2.911 -13.290 20.220 1.00 23.35 C ATOM 699 CG ASP A 51 3.900 -14.406 20.493 1.00 25.24 C ATOM 700 OD1 ASP A 51 5.109 -14.113 20.609 1.00 22.10 O ATOM 701 OD2 ASP A 51 3.466 -15.573 20.592 1.00 10.43 O ATOM 0 H ASP A 51 0.862 -12.782 18.544 1.00 62.43 H new ATOM 0 HA ASP A 51 3.739 -12.081 18.649 1.00 2.23 H new ATOM 0 HB2 ASP A 51 3.129 -12.447 20.876 1.00 23.35 H new ATOM 0 HB3 ASP A 51 1.905 -13.632 20.464 1.00 23.35 H new ATOM 706 N ALA A 52 3.935 -13.721 16.741 1.00 53.32 N ATOM 707 CA ALA A 52 4.289 -14.757 15.779 1.00 33.54 C ATOM 708 C ALA A 52 5.746 -14.632 15.348 1.00 10.12 C ATOM 709 O ALA A 52 6.561 -14.035 16.050 1.00 62.02 O ATOM 710 CB ALA A 52 3.370 -14.690 14.568 1.00 2.12 C ATOM 0 H ALA A 52 4.256 -12.786 16.490 1.00 53.32 H new ATOM 0 HA ALA A 52 4.163 -15.725 16.263 1.00 33.54 H new ATOM 0 HB1 ALA A 52 3.646 -15.470 13.858 1.00 2.12 H new ATOM 0 HB2 ALA A 52 2.338 -14.838 14.886 1.00 2.12 H new ATOM 0 HB3 ALA A 52 3.467 -13.714 14.091 1.00 2.12 H new ATOM 716 N ASN A 53 6.067 -15.199 14.190 1.00 75.32 N ATOM 717 CA ASN A 53 7.427 -15.152 13.666 1.00 52.40 C ATOM 718 C ASN A 53 7.422 -15.129 12.140 1.00 13.05 C ATOM 719 O ASN A 53 6.746 -15.933 11.500 1.00 31.00 O ATOM 720 CB ASN A 53 8.231 -16.353 14.167 1.00 72.23 C ATOM 721 CG ASN A 53 9.011 -16.041 15.429 1.00 21.30 C ATOM 722 OD1 ASN A 53 8.306 -15.940 16.550 1.00 12.34 O flip ATOM 723 ND2 ASN A 53 10.233 -15.894 15.396 1.00 4.30 N flip ATOM 0 H ASN A 53 5.404 -15.697 13.596 1.00 75.32 H new ATOM 0 HA ASN A 53 7.896 -14.235 14.024 1.00 52.40 H new ATOM 0 HB2 ASN A 53 7.554 -17.186 14.358 1.00 72.23 H new ATOM 0 HB3 ASN A 53 8.921 -16.676 13.387 1.00 72.23 H new ATOM 0 HD21 ASN A 53 10.733 -15.981 14.511 1.00 4.30 H new ATOM 0 HD22 ASN A 53 10.745 -15.686 16.253 1.00 4.30 H new ATOM 730 N ASN A 54 8.181 -14.202 11.565 1.00 30.03 N ATOM 731 CA ASN A 54 8.264 -14.074 10.115 1.00 63.31 C ATOM 732 C ASN A 54 9.358 -14.976 9.551 1.00 20.43 C ATOM 733 O ASN A 54 10.179 -15.513 10.296 1.00 34.41 O ATOM 734 CB ASN A 54 8.536 -12.620 9.725 1.00 52.10 C ATOM 735 CG ASN A 54 7.339 -11.722 9.971 1.00 33.11 C ATOM 736 OD1 ASN A 54 6.859 -11.702 11.209 1.00 44.42 O flip ATOM 737 ND2 ASN A 54 6.851 -11.055 9.059 1.00 21.13 N flip ATOM 0 H ASN A 54 8.747 -13.529 12.081 1.00 30.03 H new ATOM 0 HA ASN A 54 7.308 -14.384 9.693 1.00 63.31 H new ATOM 0 HB2 ASN A 54 9.389 -12.248 10.293 1.00 52.10 H new ATOM 0 HB3 ASN A 54 8.810 -12.575 8.671 1.00 52.10 H new ATOM 0 HD21 ASN A 54 7.252 -11.101 8.122 1.00 21.13 H new ATOM 0 HD22 ASN A 54 6.045 -10.456 9.240 1.00 21.13 H new ATOM 853 N ILE A 63 7.482 -10.901 16.801 1.00 43.21 N ATOM 854 CA ILE A 63 6.398 -9.927 16.831 1.00 20.23 C ATOM 855 C ILE A 63 5.933 -9.667 18.260 1.00 34.20 C ATOM 856 O ILE A 63 6.494 -10.185 19.226 1.00 14.10 O ATOM 857 CB ILE A 63 5.197 -10.396 15.989 1.00 13.03 C ATOM 858 CG1 ILE A 63 5.477 -11.772 15.383 1.00 62.42 C ATOM 859 CG2 ILE A 63 4.888 -9.383 14.897 1.00 12.12 C ATOM 860 CD1 ILE A 63 6.575 -11.762 14.342 1.00 55.33 C ATOM 0 HA ILE A 63 6.791 -9.003 16.406 1.00 20.23 H new ATOM 0 HB ILE A 63 4.326 -10.477 16.639 1.00 13.03 H new ATOM 0 HG12 ILE A 63 5.750 -12.463 16.181 1.00 62.42 H new ATOM 0 HG13 ILE A 63 4.562 -12.154 14.930 1.00 62.42 H new ATOM 0 HG21 ILE A 63 4.037 -9.729 14.310 1.00 12.12 H new ATOM 0 HG22 ILE A 63 4.650 -8.421 15.350 1.00 12.12 H new ATOM 0 HG23 ILE A 63 5.756 -9.273 14.247 1.00 12.12 H new ATOM 0 HD11 ILE A 63 6.719 -12.771 13.956 1.00 55.33 H new ATOM 0 HD12 ILE A 63 6.296 -11.097 13.525 1.00 55.33 H new ATOM 0 HD13 ILE A 63 7.502 -11.411 14.795 1.00 55.33 H new ATOM 872 N PRO A 64 4.881 -8.847 18.400 1.00 54.15 N ATOM 873 CA PRO A 64 4.314 -8.501 19.707 1.00 62.23 C ATOM 874 C PRO A 64 3.605 -9.682 20.362 1.00 42.42 C ATOM 875 O PRO A 64 4.171 -10.769 20.481 1.00 31.12 O ATOM 876 CB PRO A 64 3.313 -7.392 19.377 1.00 55.30 C ATOM 877 CG PRO A 64 2.936 -7.631 17.956 1.00 64.15 C ATOM 878 CD PRO A 64 4.163 -8.194 17.292 1.00 75.31 C ATOM 0 HA PRO A 64 5.083 -8.201 20.419 1.00 62.23 H new ATOM 0 HB2 PRO A 64 2.442 -7.438 20.031 1.00 55.30 H new ATOM 0 HB3 PRO A 64 3.758 -6.406 19.508 1.00 55.30 H new ATOM 0 HG2 PRO A 64 2.100 -8.327 17.886 1.00 64.15 H new ATOM 0 HG3 PRO A 64 2.622 -6.705 17.474 1.00 64.15 H new ATOM 0 HD2 PRO A 64 3.905 -8.904 16.506 1.00 75.31 H new ATOM 0 HD3 PRO A 64 4.764 -7.412 16.829 1.00 75.31 H new ATOM 886 N CYS A 65 2.365 -9.461 20.784 1.00 43.42 N ATOM 887 CA CYS A 65 1.579 -10.507 21.428 1.00 52.04 C ATOM 888 C CYS A 65 0.257 -10.721 20.697 1.00 11.54 C ATOM 889 O CYS A 65 -0.477 -9.770 20.431 1.00 0.22 O ATOM 890 CB CYS A 65 1.315 -10.148 22.891 1.00 62.43 C ATOM 891 SG CYS A 65 -0.438 -10.062 23.325 1.00 2.12 S ATOM 0 H CYS A 65 1.882 -8.567 20.692 1.00 43.42 H new ATOM 0 HA CYS A 65 2.150 -11.434 21.387 1.00 52.04 H new ATOM 0 HB2 CYS A 65 1.800 -10.887 23.529 1.00 62.43 H new ATOM 0 HB3 CYS A 65 1.780 -9.186 23.107 1.00 62.43 H new ATOM 0 HG CYS A 65 -1.083 -9.419 22.398 1.00 2.12 H new ATOM 897 N ASN A 66 -0.039 -11.975 20.375 1.00 31.51 N ATOM 898 CA ASN A 66 -1.272 -12.314 19.673 1.00 1.12 C ATOM 899 C ASN A 66 -2.464 -12.287 20.625 1.00 73.35 C ATOM 900 O ASN A 66 -3.579 -11.949 20.228 1.00 30.21 O ATOM 901 CB ASN A 66 -1.152 -13.695 19.026 1.00 32.11 C ATOM 902 CG ASN A 66 -0.417 -14.685 19.908 1.00 24.24 C ATOM 903 OD1 ASN A 66 -0.820 -14.942 21.043 1.00 53.12 O ATOM 904 ND2 ASN A 66 0.669 -15.246 19.390 1.00 65.41 N ATOM 0 H ASN A 66 0.558 -12.774 20.589 1.00 31.51 H new ATOM 0 HA ASN A 66 -1.435 -11.569 18.894 1.00 1.12 H new ATOM 0 HB2 ASN A 66 -2.149 -14.078 18.807 1.00 32.11 H new ATOM 0 HB3 ASN A 66 -0.629 -13.603 18.074 1.00 32.11 H new ATOM 0 HD21 ASN A 66 1.206 -15.919 19.937 1.00 65.41 H new ATOM 0 HD22 ASN A 66 0.967 -15.004 18.445 1.00 65.41 H new ATOM 911 N GLU A 67 -2.220 -12.646 21.881 1.00 11.22 N ATOM 912 CA GLU A 67 -3.274 -12.663 22.889 1.00 72.05 C ATOM 913 C GLU A 67 -2.700 -12.420 24.281 1.00 1.52 C ATOM 914 O GLU A 67 -3.201 -11.584 25.034 1.00 40.34 O ATOM 915 CB GLU A 67 -4.018 -14.000 22.858 1.00 24.11 C ATOM 916 CG GLU A 67 -3.137 -15.194 23.186 1.00 44.13 C ATOM 917 CD GLU A 67 -3.662 -16.487 22.593 1.00 13.12 C ATOM 918 OE1 GLU A 67 -4.655 -16.432 21.838 1.00 54.02 O ATOM 919 OE2 GLU A 67 -3.081 -17.553 22.885 1.00 75.14 O ATOM 0 H GLU A 67 -1.302 -12.929 22.225 1.00 11.22 H new ATOM 0 HA GLU A 67 -3.974 -11.860 22.659 1.00 72.05 H new ATOM 0 HB2 GLU A 67 -4.844 -13.963 23.568 1.00 24.11 H new ATOM 0 HB3 GLU A 67 -4.453 -14.141 21.869 1.00 24.11 H new ATOM 0 HG2 GLU A 67 -2.129 -15.011 22.813 1.00 44.13 H new ATOM 0 HG3 GLU A 67 -3.062 -15.299 24.268 1.00 44.13 H new ATOM 926 N ASP A 68 -1.646 -13.156 24.617 1.00 14.21 N ATOM 927 CA ASP A 68 -1.003 -13.020 25.919 1.00 63.54 C ATOM 928 C ASP A 68 0.481 -13.365 25.830 1.00 52.45 C ATOM 929 O ASP A 68 0.917 -14.410 26.314 1.00 54.24 O ATOM 930 CB ASP A 68 -1.687 -13.923 26.946 1.00 14.24 C ATOM 931 CG ASP A 68 -3.004 -13.350 27.433 1.00 31.33 C ATOM 932 OD1 ASP A 68 -2.975 -12.404 28.248 1.00 41.44 O ATOM 933 OD2 ASP A 68 -4.064 -13.848 26.999 1.00 23.35 O ATOM 0 H ASP A 68 -1.219 -13.852 24.006 1.00 14.21 H new ATOM 0 HA ASP A 68 -1.099 -11.982 26.238 1.00 63.54 H new ATOM 0 HB2 ASP A 68 -1.862 -14.904 26.504 1.00 14.24 H new ATOM 0 HB3 ASP A 68 -1.021 -14.071 27.796 1.00 14.24 H new ATOM 938 N HIS A 69 1.252 -12.479 25.207 1.00 62.13 N ATOM 939 CA HIS A 69 2.687 -12.690 25.053 1.00 4.55 C ATOM 940 C HIS A 69 3.462 -11.420 25.393 1.00 11.41 C ATOM 941 O HIS A 69 3.161 -10.330 24.905 1.00 74.43 O ATOM 942 CB HIS A 69 3.010 -13.131 23.626 1.00 70.13 C ATOM 943 CG HIS A 69 2.577 -14.532 23.320 1.00 41.13 C ATOM 944 ND1 HIS A 69 1.495 -14.827 22.518 1.00 52.00 N ATOM 945 CD2 HIS A 69 3.089 -15.722 23.712 1.00 73.23 C ATOM 946 CE1 HIS A 69 1.358 -16.138 22.431 1.00 22.15 C ATOM 947 NE2 HIS A 69 2.313 -16.705 23.147 1.00 44.45 N ATOM 0 H HIS A 69 0.907 -11.609 24.801 1.00 62.13 H new ATOM 0 HA HIS A 69 2.989 -13.476 25.745 1.00 4.55 H new ATOM 0 HB2 HIS A 69 2.528 -12.449 22.926 1.00 70.13 H new ATOM 0 HB3 HIS A 69 4.085 -13.048 23.463 1.00 70.13 H new ATOM 0 HD1 HIS A 69 0.894 -14.140 22.063 1.00 52.00 H new ATOM 0 HD2 HIS A 69 3.948 -15.871 24.350 1.00 73.23 H new ATOM 0 HE1 HIS A 69 0.595 -16.658 21.870 1.00 22.15 H new ATOM 955 N PRO A 70 4.484 -11.560 26.251 1.00 74.43 N ATOM 956 CA PRO A 70 5.322 -10.435 26.675 1.00 71.11 C ATOM 957 C PRO A 70 6.210 -9.917 25.549 1.00 63.41 C ATOM 958 O PRO A 70 7.351 -10.355 25.394 1.00 20.33 O ATOM 959 CB PRO A 70 6.174 -11.031 27.798 1.00 65.44 C ATOM 960 CG PRO A 70 6.222 -12.491 27.503 1.00 13.10 C ATOM 961 CD PRO A 70 4.899 -12.829 26.872 1.00 24.00 C ATOM 0 HA PRO A 70 4.726 -9.576 26.984 1.00 71.11 H new ATOM 0 HB2 PRO A 70 7.174 -10.596 27.810 1.00 65.44 H new ATOM 0 HB3 PRO A 70 5.731 -10.839 28.775 1.00 65.44 H new ATOM 0 HG2 PRO A 70 7.047 -12.726 26.830 1.00 13.10 H new ATOM 0 HG3 PRO A 70 6.379 -13.068 28.414 1.00 13.10 H new ATOM 0 HD2 PRO A 70 4.997 -13.625 26.133 1.00 24.00 H new ATOM 0 HD3 PRO A 70 4.176 -13.169 27.613 1.00 24.00 H new ATOM 969 N CYS A 71 5.681 -8.984 24.766 1.00 42.21 N ATOM 970 CA CYS A 71 6.427 -8.406 23.653 1.00 30.52 C ATOM 971 C CYS A 71 6.152 -6.911 23.532 1.00 71.20 C ATOM 972 O CYS A 71 5.115 -6.421 23.981 1.00 22.42 O ATOM 973 CB CYS A 71 6.062 -9.112 22.347 1.00 74.25 C ATOM 974 SG CYS A 71 6.509 -10.864 22.303 1.00 11.53 S ATOM 0 H CYS A 71 4.739 -8.611 24.881 1.00 42.21 H new ATOM 0 HA CYS A 71 7.490 -8.546 23.848 1.00 30.52 H new ATOM 0 HB2 CYS A 71 4.988 -9.018 22.184 1.00 74.25 H new ATOM 0 HB3 CYS A 71 6.556 -8.601 21.520 1.00 74.25 H new ATOM 0 HG CYS A 71 5.692 -11.501 21.517 1.00 11.53 H new ATOM 980 N HIS A 72 7.088 -6.190 22.923 1.00 2.15 N ATOM 981 CA HIS A 72 6.947 -4.749 22.744 1.00 22.31 C ATOM 982 C HIS A 72 6.751 -4.402 21.271 1.00 3.35 C ATOM 983 O HIS A 72 7.615 -3.783 20.649 1.00 51.22 O ATOM 984 CB HIS A 72 8.176 -4.023 23.292 1.00 30.24 C ATOM 985 CG HIS A 72 9.459 -4.444 22.645 1.00 41.05 C ATOM 986 ND1 HIS A 72 9.526 -5.414 21.667 1.00 73.11 N ATOM 987 CD2 HIS A 72 10.730 -4.019 22.838 1.00 34.22 C ATOM 988 CE1 HIS A 72 10.782 -5.569 21.288 1.00 31.25 C ATOM 989 NE2 HIS A 72 11.533 -4.734 21.984 1.00 54.13 N ATOM 0 H HIS A 72 7.952 -6.580 22.545 1.00 2.15 H new ATOM 0 HA HIS A 72 6.066 -4.423 23.297 1.00 22.31 H new ATOM 0 HB2 HIS A 72 8.045 -2.950 23.155 1.00 30.24 H new ATOM 0 HB3 HIS A 72 8.244 -4.201 24.365 1.00 30.24 H new ATOM 0 HD2 HIS A 72 11.052 -3.259 23.534 1.00 34.22 H new ATOM 0 HE1 HIS A 72 11.135 -6.260 20.537 1.00 31.25 H new ATOM 0 HE2 HIS A 72 12.545 -4.636 21.900 1.00 54.13 H new ATOM 997 N HIS A 73 5.611 -4.805 20.720 1.00 51.41 N ATOM 998 CA HIS A 73 5.302 -4.536 19.320 1.00 12.30 C ATOM 999 C HIS A 73 3.806 -4.300 19.129 1.00 25.52 C ATOM 1000 O HIS A 73 3.024 -4.421 20.073 1.00 41.22 O ATOM 1001 CB HIS A 73 5.763 -5.699 18.442 1.00 41.05 C ATOM 1002 CG HIS A 73 7.144 -5.522 17.889 1.00 11.52 C ATOM 1003 ND1 HIS A 73 7.847 -4.400 17.606 1.00 1.45 N flip ATOM 1004 CD2 HIS A 73 7.965 -6.580 17.561 1.00 54.05 C flip ATOM 1005 CE1 HIS A 73 9.067 -4.797 17.118 1.00 51.32 C flip ATOM 1006 NE2 HIS A 73 9.114 -6.117 17.102 1.00 44.32 N flip ATOM 0 H HIS A 73 4.886 -5.319 21.221 1.00 51.41 H new ATOM 0 HA HIS A 73 5.835 -3.633 19.023 1.00 12.30 H new ATOM 0 HB2 HIS A 73 5.729 -6.619 19.025 1.00 41.05 H new ATOM 0 HB3 HIS A 73 5.062 -5.820 17.616 1.00 41.05 H new ATOM 0 HD2 HIS A 73 7.709 -7.624 17.663 1.00 54.05 H new ATOM 0 HE1 HIS A 73 9.860 -4.137 16.799 1.00 51.32 H new ATOM 0 HE2 HIS A 73 9.903 -6.682 16.789 1.00 44.32 H new ATOM 1014 N CYS A 74 3.417 -3.964 17.905 1.00 61.34 N ATOM 1015 CA CYS A 74 2.015 -3.711 17.591 1.00 44.54 C ATOM 1016 C CYS A 74 1.100 -4.372 18.616 1.00 42.01 C ATOM 1017 O CYS A 74 0.784 -5.557 18.509 1.00 64.45 O ATOM 1018 CB CYS A 74 1.685 -4.223 16.188 1.00 14.21 C ATOM 1019 SG CYS A 74 2.944 -5.313 15.484 1.00 34.24 S ATOM 0 H CYS A 74 4.052 -3.860 17.114 1.00 61.34 H new ATOM 0 HA CYS A 74 1.849 -2.634 17.625 1.00 44.54 H new ATOM 0 HB2 CYS A 74 0.735 -4.757 16.222 1.00 14.21 H new ATOM 0 HB3 CYS A 74 1.547 -3.369 15.525 1.00 14.21 H new ATOM 0 HG CYS A 74 2.435 -5.980 14.491 1.00 34.24 H new ATOM 1025 N HIS A 75 0.678 -3.598 19.611 1.00 23.31 N ATOM 1026 CA HIS A 75 -0.200 -4.110 20.657 1.00 12.52 C ATOM 1027 C HIS A 75 -1.550 -4.524 20.079 1.00 62.12 C ATOM 1028 O HIS A 75 -1.958 -4.040 19.023 1.00 25.34 O ATOM 1029 CB HIS A 75 -0.401 -3.054 21.745 1.00 40.11 C ATOM 1030 CG HIS A 75 -1.773 -2.454 21.752 1.00 74.34 C ATOM 1031 ND1 HIS A 75 -2.057 -1.216 21.215 1.00 65.34 N ATOM 1032 CD2 HIS A 75 -2.945 -2.931 22.233 1.00 53.10 C ATOM 1033 CE1 HIS A 75 -3.343 -0.956 21.367 1.00 62.41 C ATOM 1034 NE2 HIS A 75 -3.905 -1.981 21.982 1.00 60.33 N ATOM 0 H HIS A 75 0.930 -2.615 19.715 1.00 23.31 H new ATOM 0 HA HIS A 75 0.273 -4.989 21.096 1.00 12.52 H new ATOM 0 HB2 HIS A 75 -0.206 -3.505 22.718 1.00 40.11 H new ATOM 0 HB3 HIS A 75 0.333 -2.260 21.609 1.00 40.11 H new ATOM 0 HD2 HIS A 75 -3.097 -3.881 22.723 1.00 53.10 H new ATOM 0 HE1 HIS A 75 -3.849 -0.058 21.044 1.00 62.41 H new ATOM 0 HE2 HIS A 75 -4.892 -2.055 22.230 1.00 60.33 H new ATOM 1042 N GLU A 76 -2.237 -5.423 20.777 1.00 2.21 N ATOM 1043 CA GLU A 76 -3.539 -5.903 20.331 1.00 54.21 C ATOM 1044 C GLU A 76 -4.584 -5.743 21.431 1.00 13.04 C ATOM 1045 O GLU A 76 -4.721 -6.604 22.300 1.00 15.51 O ATOM 1046 CB GLU A 76 -3.449 -7.370 19.907 1.00 31.33 C ATOM 1047 CG GLU A 76 -4.500 -7.775 18.887 1.00 20.12 C ATOM 1048 CD GLU A 76 -5.526 -8.735 19.456 1.00 34.25 C ATOM 1049 OE1 GLU A 76 -5.123 -9.810 19.949 1.00 14.21 O ATOM 1050 OE2 GLU A 76 -6.732 -8.413 19.409 1.00 3.54 O ATOM 0 H GLU A 76 -1.913 -5.833 21.653 1.00 2.21 H new ATOM 0 HA GLU A 76 -3.844 -5.303 19.474 1.00 54.21 H new ATOM 0 HB2 GLU A 76 -2.459 -7.559 19.491 1.00 31.33 H new ATOM 0 HB3 GLU A 76 -3.550 -8.001 20.790 1.00 31.33 H new ATOM 0 HG2 GLU A 76 -5.007 -6.883 18.520 1.00 20.12 H new ATOM 0 HG3 GLU A 76 -4.010 -8.238 18.031 1.00 20.12 H new ATOM 1057 N GLU A 77 -5.318 -4.635 21.387 1.00 63.13 N ATOM 1058 CA GLU A 77 -6.349 -4.362 22.381 1.00 50.13 C ATOM 1059 C GLU A 77 -5.739 -4.221 23.773 1.00 54.35 C ATOM 1060 O GLU A 77 -5.530 -3.110 24.260 1.00 13.15 O ATOM 1061 CB GLU A 77 -7.396 -5.478 22.381 1.00 12.54 C ATOM 1062 CG GLU A 77 -8.670 -5.117 21.636 1.00 70.14 C ATOM 1063 CD GLU A 77 -9.619 -4.281 22.472 1.00 50.10 C ATOM 1064 OE1 GLU A 77 -10.689 -4.801 22.851 1.00 14.45 O ATOM 1065 OE2 GLU A 77 -9.292 -3.108 22.747 1.00 40.42 O ATOM 0 H GLU A 77 -5.218 -3.913 20.674 1.00 63.13 H new ATOM 0 HA GLU A 77 -6.832 -3.421 22.118 1.00 50.13 H new ATOM 0 HB2 GLU A 77 -6.963 -6.371 21.931 1.00 12.54 H new ATOM 0 HB3 GLU A 77 -7.647 -5.730 23.412 1.00 12.54 H new ATOM 0 HG2 GLU A 77 -8.413 -4.570 20.729 1.00 70.14 H new ATOM 0 HG3 GLU A 77 -9.175 -6.031 21.325 1.00 70.14 H new ATOM 1072 N ASP A 78 -5.457 -5.354 24.406 1.00 55.20 N ATOM 1073 CA ASP A 78 -4.872 -5.358 25.741 1.00 5.24 C ATOM 1074 C ASP A 78 -3.595 -6.192 25.772 1.00 44.20 C ATOM 1075 O ASP A 78 -3.360 -6.952 26.712 1.00 41.50 O ATOM 1076 CB ASP A 78 -5.875 -5.901 26.760 1.00 2.11 C ATOM 1077 CG ASP A 78 -6.581 -7.149 26.268 1.00 12.13 C ATOM 1078 OD1 ASP A 78 -7.768 -7.050 25.891 1.00 2.21 O ATOM 1079 OD2 ASP A 78 -5.947 -8.225 26.260 1.00 52.53 O ATOM 0 H ASP A 78 -5.624 -6.282 24.016 1.00 55.20 H new ATOM 0 HA ASP A 78 -4.620 -4.330 26.003 1.00 5.24 H new ATOM 0 HB2 ASP A 78 -5.357 -6.124 27.693 1.00 2.11 H new ATOM 0 HB3 ASP A 78 -6.615 -5.132 26.983 1.00 2.11 H new ATOM 1084 N ASP A 79 -2.774 -6.046 24.738 1.00 43.41 N ATOM 1085 CA ASP A 79 -1.520 -6.785 24.646 1.00 73.30 C ATOM 1086 C ASP A 79 -0.910 -6.994 26.028 1.00 21.14 C ATOM 1087 O ASP A 79 -0.672 -6.037 26.764 1.00 32.21 O ATOM 1088 CB ASP A 79 -0.531 -6.045 23.745 1.00 52.34 C ATOM 1089 CG ASP A 79 -0.007 -6.917 22.620 1.00 14.35 C ATOM 1090 OD1 ASP A 79 1.228 -7.069 22.513 1.00 33.14 O ATOM 1091 OD2 ASP A 79 -0.833 -7.448 21.848 1.00 4.43 O ATOM 0 H ASP A 79 -2.954 -5.422 23.951 1.00 43.41 H new ATOM 0 HA ASP A 79 -1.734 -7.761 24.211 1.00 73.30 H new ATOM 0 HB2 ASP A 79 -1.017 -5.165 23.323 1.00 52.34 H new ATOM 0 HB3 ASP A 79 0.306 -5.689 24.345 1.00 52.34 H new ATOM 1096 N GLY A 80 -0.659 -8.253 26.375 1.00 35.04 N ATOM 1097 CA GLY A 80 -0.080 -8.565 27.669 1.00 13.30 C ATOM 1098 C GLY A 80 -0.971 -9.466 28.501 1.00 61.11 C ATOM 1099 O GLY A 80 -2.109 -9.745 28.124 1.00 71.14 O ATOM 0 H GLY A 80 -0.846 -9.062 25.783 1.00 35.04 H new ATOM 0 HA2 GLY A 80 0.886 -9.048 27.524 1.00 13.30 H new ATOM 0 HA3 GLY A 80 0.105 -7.639 28.214 1.00 13.30 H new ATOM 1103 N ASP A 81 -0.452 -9.924 29.635 1.00 72.11 N ATOM 1104 CA ASP A 81 -1.208 -10.800 30.523 1.00 60.15 C ATOM 1105 C ASP A 81 -1.638 -10.057 31.783 1.00 2.52 C ATOM 1106 O ASP A 81 -1.529 -8.832 31.863 1.00 23.44 O ATOM 1107 CB ASP A 81 -0.372 -12.025 30.898 1.00 74.02 C ATOM 1108 CG ASP A 81 -1.158 -13.317 30.787 1.00 25.35 C ATOM 1109 OD1 ASP A 81 -2.365 -13.308 31.107 1.00 1.43 O ATOM 1110 OD2 ASP A 81 -0.565 -14.338 30.381 1.00 62.15 O ATOM 0 H ASP A 81 0.489 -9.703 29.961 1.00 72.11 H new ATOM 0 HA ASP A 81 -2.103 -11.128 29.994 1.00 60.15 H new ATOM 0 HB2 ASP A 81 0.502 -12.078 30.249 1.00 74.02 H new ATOM 0 HB3 ASP A 81 -0.005 -11.913 31.918 1.00 74.02 H new ATOM 1115 N THR A 82 -2.128 -10.804 32.767 1.00 35.11 N ATOM 1116 CA THR A 82 -2.577 -10.216 34.023 1.00 71.21 C ATOM 1117 C THR A 82 -1.578 -9.186 34.536 1.00 43.34 C ATOM 1118 O THR A 82 -1.859 -7.987 34.550 1.00 12.15 O ATOM 1119 CB THR A 82 -2.787 -11.293 35.104 1.00 21.20 C ATOM 1120 OG1 THR A 82 -3.476 -12.418 34.547 1.00 21.45 O ATOM 1121 CG2 THR A 82 -3.580 -10.736 36.276 1.00 0.24 C ATOM 0 H THR A 82 -2.224 -11.818 32.718 1.00 35.11 H new ATOM 0 HA THR A 82 -3.529 -9.725 33.820 1.00 71.21 H new ATOM 0 HB THR A 82 -1.809 -11.609 35.466 1.00 21.20 H new ATOM 0 HG1 THR A 82 -3.604 -13.099 35.240 1.00 21.45 H new ATOM 0 HG21 THR A 82 -3.716 -11.515 37.026 1.00 0.24 H new ATOM 0 HG22 THR A 82 -3.039 -9.898 36.716 1.00 0.24 H new ATOM 0 HG23 THR A 82 -4.555 -10.395 35.927 1.00 0.24 H new ATOM 1129 N HIS A 83 -0.409 -9.659 34.955 1.00 64.51 N ATOM 1130 CA HIS A 83 0.634 -8.778 35.467 1.00 1.35 C ATOM 1131 C HIS A 83 0.790 -7.547 34.579 1.00 21.03 C ATOM 1132 O HIS A 83 0.808 -6.416 35.067 1.00 74.13 O ATOM 1133 CB HIS A 83 1.964 -9.526 35.560 1.00 22.01 C ATOM 1134 CG HIS A 83 1.928 -10.698 36.492 1.00 65.11 C ATOM 1135 ND1 HIS A 83 0.883 -10.939 37.358 1.00 70.41 N ATOM 1136 CD2 HIS A 83 2.817 -11.700 36.689 1.00 41.12 C ATOM 1137 CE1 HIS A 83 1.131 -12.038 38.049 1.00 51.14 C ATOM 1138 NE2 HIS A 83 2.298 -12.519 37.661 1.00 23.12 N ATOM 0 H HIS A 83 -0.160 -10.648 34.950 1.00 64.51 H new ATOM 0 HA HIS A 83 0.340 -8.450 36.464 1.00 1.35 H new ATOM 0 HB2 HIS A 83 2.247 -9.871 34.566 1.00 22.01 H new ATOM 0 HB3 HIS A 83 2.739 -8.834 35.890 1.00 22.01 H new ATOM 0 HD2 HIS A 83 3.759 -11.831 36.177 1.00 41.12 H new ATOM 0 HE1 HIS A 83 0.489 -12.469 38.803 1.00 51.14 H new ATOM 0 HE2 HIS A 83 2.742 -13.362 38.025 1.00 23.12 H new ATOM 1146 N CYS A 84 0.904 -7.775 33.276 1.00 74.04 N ATOM 1147 CA CYS A 84 1.060 -6.685 32.319 1.00 12.45 C ATOM 1148 C CYS A 84 -0.022 -5.628 32.518 1.00 2.15 C ATOM 1149 O CYS A 84 0.247 -4.428 32.450 1.00 23.10 O ATOM 1150 CB CYS A 84 1.008 -7.222 30.889 1.00 52.04 C ATOM 1151 SG CYS A 84 2.556 -7.965 30.322 1.00 10.42 S ATOM 0 H CYS A 84 0.891 -8.705 32.857 1.00 74.04 H new ATOM 0 HA CYS A 84 2.032 -6.221 32.490 1.00 12.45 H new ATOM 0 HB2 CYS A 84 0.214 -7.966 30.820 1.00 52.04 H new ATOM 0 HB3 CYS A 84 0.741 -6.407 30.216 1.00 52.04 H new ATOM 0 HG CYS A 84 2.411 -8.392 29.103 1.00 10.42 H new ATOM 1157 N HIS A 85 -1.247 -6.081 32.764 1.00 71.54 N ATOM 1158 CA HIS A 85 -2.371 -5.175 32.971 1.00 4.24 C ATOM 1159 C HIS A 85 -2.187 -4.368 34.253 1.00 13.51 C ATOM 1160 O HIS A 85 -2.589 -3.206 34.329 1.00 11.21 O ATOM 1161 CB HIS A 85 -3.682 -5.959 33.032 1.00 63.01 C ATOM 1162 CG HIS A 85 -4.076 -6.569 31.722 1.00 41.31 C ATOM 1163 ND1 HIS A 85 -3.164 -7.094 30.831 1.00 4.42 N ATOM 1164 CD2 HIS A 85 -5.293 -6.737 31.154 1.00 12.13 C ATOM 1165 CE1 HIS A 85 -3.802 -7.557 29.772 1.00 53.23 C ATOM 1166 NE2 HIS A 85 -5.096 -7.353 29.943 1.00 50.10 N ATOM 0 H HIS A 85 -1.487 -7.071 32.825 1.00 71.54 H new ATOM 0 HA HIS A 85 -2.409 -4.484 32.129 1.00 4.24 H new ATOM 0 HB2 HIS A 85 -3.589 -6.748 33.778 1.00 63.01 H new ATOM 0 HB3 HIS A 85 -4.478 -5.295 33.368 1.00 63.01 H new ATOM 0 HD1 HIS A 85 -2.154 -7.121 30.969 1.00 4.42 H new ATOM 0 HD2 HIS A 85 -6.243 -6.441 31.575 1.00 12.13 H new ATOM 0 HE1 HIS A 85 -3.344 -8.023 28.912 1.00 53.23 H new ATOM 1174 N CYS A 86 -1.580 -4.990 35.257 1.00 61.32 N ATOM 1175 CA CYS A 86 -1.345 -4.330 36.536 1.00 20.11 C ATOM 1176 C CYS A 86 -0.210 -3.317 36.425 1.00 71.21 C ATOM 1177 O CYS A 86 -0.207 -2.296 37.111 1.00 11.55 O ATOM 1178 CB CYS A 86 -1.018 -5.364 37.615 1.00 52.03 C ATOM 1179 SG CYS A 86 -2.457 -6.274 38.225 1.00 64.12 S ATOM 0 H CYS A 86 -1.241 -5.951 35.210 1.00 61.32 H new ATOM 0 HA CYS A 86 -2.255 -3.799 36.815 1.00 20.11 H new ATOM 0 HB2 CYS A 86 -0.295 -6.075 37.215 1.00 52.03 H new ATOM 0 HB3 CYS A 86 -0.538 -4.859 38.454 1.00 52.03 H new ATOM 0 HG CYS A 86 -2.079 -7.126 39.132 1.00 64.12 H new ATOM 1185 N SER A 87 0.753 -3.609 35.557 1.00 43.31 N ATOM 1186 CA SER A 87 1.897 -2.726 35.360 1.00 62.04 C ATOM 1187 C SER A 87 1.526 -1.547 34.465 1.00 60.53 C ATOM 1188 O SER A 87 2.159 -0.492 34.515 1.00 62.20 O ATOM 1189 CB SER A 87 3.065 -3.500 34.745 1.00 2.30 C ATOM 1190 OG SER A 87 3.442 -4.592 35.566 1.00 52.21 O ATOM 0 H SER A 87 0.764 -4.449 34.979 1.00 43.31 H new ATOM 0 HA SER A 87 2.198 -2.340 36.334 1.00 62.04 H new ATOM 0 HB2 SER A 87 2.784 -3.864 33.757 1.00 2.30 H new ATOM 0 HB3 SER A 87 3.916 -2.833 34.609 1.00 2.30 H new ATOM 0 HG SER A 87 2.740 -5.275 35.544 1.00 52.21 H new ATOM 1196 N CYS A 88 0.496 -1.735 33.647 1.00 64.42 N ATOM 1197 CA CYS A 88 0.040 -0.689 32.739 1.00 1.21 C ATOM 1198 C CYS A 88 -0.842 0.318 33.470 1.00 4.50 C ATOM 1199 O CYS A 88 -0.766 1.521 33.219 1.00 63.32 O ATOM 1200 CB CYS A 88 -0.728 -1.301 31.567 1.00 40.13 C ATOM 1201 SG CYS A 88 0.328 -2.001 30.277 1.00 25.12 S ATOM 0 H CYS A 88 -0.039 -2.602 33.594 1.00 64.42 H new ATOM 0 HA CYS A 88 0.917 -0.167 32.356 1.00 1.21 H new ATOM 0 HB2 CYS A 88 -1.386 -2.083 31.946 1.00 40.13 H new ATOM 0 HB3 CYS A 88 -1.365 -0.535 31.124 1.00 40.13 H new ATOM 0 HG CYS A 88 1.479 -1.396 30.282 1.00 25.12 H new ATOM 1349 N THR A 99 0.845 7.720 26.039 1.00 64.21 N ATOM 1350 CA THR A 99 -0.373 7.186 25.443 1.00 20.04 C ATOM 1351 C THR A 99 -0.171 6.872 23.966 1.00 63.25 C ATOM 1352 O THR A 99 -1.126 6.852 23.188 1.00 3.12 O ATOM 1353 CB THR A 99 -1.548 8.170 25.591 1.00 15.41 C ATOM 1354 OG1 THR A 99 -1.119 9.346 26.287 1.00 22.43 O ATOM 1355 CG2 THR A 99 -2.704 7.525 26.341 1.00 71.33 C ATOM 0 HA THR A 99 -0.609 6.266 25.978 1.00 20.04 H new ATOM 0 HB THR A 99 -1.890 8.444 24.593 1.00 15.41 H new ATOM 0 HG1 THR A 99 -0.169 9.264 26.514 1.00 22.43 H new ATOM 0 HG21 THR A 99 -3.522 8.240 26.433 1.00 71.33 H new ATOM 0 HG22 THR A 99 -3.048 6.648 25.794 1.00 71.33 H new ATOM 0 HG23 THR A 99 -2.371 7.225 27.335 1.00 71.33 H new ATOM 1363 N HIS A 100 1.078 6.626 23.583 1.00 24.21 N ATOM 1364 CA HIS A 100 1.406 6.311 22.197 1.00 74.20 C ATOM 1365 C HIS A 100 2.893 6.008 22.045 1.00 3.22 C ATOM 1366 O HIS A 100 3.667 6.158 22.990 1.00 32.31 O ATOM 1367 CB HIS A 100 1.013 7.471 21.282 1.00 43.21 C ATOM 1368 CG HIS A 100 0.623 7.040 19.902 1.00 51.02 C ATOM 1369 ND1 HIS A 100 0.577 5.718 19.511 1.00 53.40 N ATOM 1370 CD2 HIS A 100 0.257 7.764 18.818 1.00 4.22 C ATOM 1371 CE1 HIS A 100 0.201 5.648 18.246 1.00 5.43 C ATOM 1372 NE2 HIS A 100 0.001 6.876 17.803 1.00 50.24 N ATOM 0 H HIS A 100 1.880 6.639 24.213 1.00 24.21 H new ATOM 0 HA HIS A 100 0.842 5.424 21.909 1.00 74.20 H new ATOM 0 HB2 HIS A 100 0.182 8.013 21.733 1.00 43.21 H new ATOM 0 HB3 HIS A 100 1.848 8.168 21.214 1.00 43.21 H new ATOM 0 HD1 HIS A 100 0.799 4.919 20.105 1.00 53.40 H new ATOM 0 HD2 HIS A 100 0.181 8.840 18.762 1.00 4.22 H new ATOM 0 HE1 HIS A 100 0.078 4.741 17.672 1.00 5.43 H new ATOM 1380 N GLY A 101 3.287 5.581 20.849 1.00 35.10 N ATOM 1381 CA GLY A 101 4.680 5.263 20.596 1.00 52.10 C ATOM 1382 C GLY A 101 5.509 6.495 20.293 1.00 65.14 C ATOM 1383 O GLY A 101 5.587 6.931 19.145 1.00 64.45 O ATOM 0 H GLY A 101 2.666 5.450 20.051 1.00 35.10 H new ATOM 0 HA2 GLY A 101 5.097 4.753 21.464 1.00 52.10 H new ATOM 0 HA3 GLY A 101 4.745 4.570 19.757 1.00 52.10 H new ATOM 1387 N GLU A 102 6.129 7.058 21.325 1.00 44.10 N ATOM 1388 CA GLU A 102 6.955 8.249 21.162 1.00 21.13 C ATOM 1389 C GLU A 102 8.127 8.236 22.139 1.00 25.41 C ATOM 1390 O GLU A 102 8.114 7.509 23.133 1.00 10.12 O ATOM 1391 CB GLU A 102 6.116 9.511 21.373 1.00 41.03 C ATOM 1392 CG GLU A 102 5.882 10.305 20.099 1.00 54.41 C ATOM 1393 CD GLU A 102 7.161 10.886 19.530 1.00 45.42 C ATOM 1394 OE1 GLU A 102 8.172 10.925 20.263 1.00 61.23 O ATOM 1395 OE2 GLU A 102 7.153 11.303 18.353 1.00 73.33 O ATOM 0 H GLU A 102 6.075 6.709 22.282 1.00 44.10 H new ATOM 0 HA GLU A 102 7.351 8.249 20.146 1.00 21.13 H new ATOM 0 HB2 GLU A 102 5.153 9.230 21.798 1.00 41.03 H new ATOM 0 HB3 GLU A 102 6.613 10.150 22.103 1.00 41.03 H new ATOM 0 HG2 GLU A 102 5.418 9.660 19.353 1.00 54.41 H new ATOM 0 HG3 GLU A 102 5.180 11.113 20.303 1.00 54.41 H new ATOM 1402 N CYS A 103 9.141 9.044 21.848 1.00 23.13 N ATOM 1403 CA CYS A 103 10.323 9.126 22.698 1.00 32.25 C ATOM 1404 C CYS A 103 11.344 10.101 22.119 1.00 75.23 C ATOM 1405 O CYS A 103 11.715 10.006 20.948 1.00 10.24 O ATOM 1406 CB CYS A 103 10.957 7.743 22.861 1.00 50.03 C ATOM 1407 SG CYS A 103 10.872 6.706 21.365 1.00 32.15 S ATOM 0 H CYS A 103 9.168 9.652 21.029 1.00 23.13 H new ATOM 0 HA CYS A 103 10.011 9.493 23.676 1.00 32.25 H new ATOM 0 HB2 CYS A 103 12.002 7.865 23.147 1.00 50.03 H new ATOM 0 HB3 CYS A 103 10.461 7.222 23.680 1.00 50.03 H new ATOM 1412 N THR A 104 11.794 11.039 22.946 1.00 23.33 N ATOM 1413 CA THR A 104 12.771 12.032 22.517 1.00 71.40 C ATOM 1414 C THR A 104 13.429 12.709 23.714 1.00 62.44 C ATOM 1415 O THR A 104 14.047 13.765 23.580 1.00 2.13 O ATOM 1416 CB THR A 104 12.123 13.108 21.625 1.00 22.51 C ATOM 1417 OG1 THR A 104 10.722 13.198 21.906 1.00 71.03 O ATOM 1418 CG2 THR A 104 12.331 12.787 20.153 1.00 60.24 C ATOM 0 H THR A 104 11.497 11.132 23.917 1.00 23.33 H new ATOM 0 HA THR A 104 13.529 11.501 21.941 1.00 71.40 H new ATOM 0 HB THR A 104 12.599 14.064 21.843 1.00 22.51 H new ATOM 0 HG1 THR A 104 10.478 14.135 22.058 1.00 71.03 H new ATOM 0 HG21 THR A 104 11.865 13.560 19.543 1.00 60.24 H new ATOM 0 HG22 THR A 104 13.399 12.748 19.936 1.00 60.24 H new ATOM 0 HG23 THR A 104 11.879 11.822 19.924 1.00 60.24 H new ATOM 1426 N LYS A 105 13.294 12.094 24.884 1.00 72.33 N ATOM 1427 CA LYS A 105 13.877 12.635 26.105 1.00 1.43 C ATOM 1428 C LYS A 105 15.106 11.835 26.523 1.00 64.42 C ATOM 1429 O LYS A 105 15.494 10.877 25.853 1.00 74.03 O ATOM 1430 CB LYS A 105 12.844 12.630 27.234 1.00 20.33 C ATOM 1431 CG LYS A 105 12.118 11.305 27.387 1.00 34.34 C ATOM 1432 CD LYS A 105 11.286 11.268 28.659 1.00 43.12 C ATOM 1433 CE LYS A 105 10.323 10.091 28.661 1.00 55.41 C ATOM 1434 NZ LYS A 105 10.312 9.386 29.972 1.00 33.32 N ATOM 0 H LYS A 105 12.785 11.219 25.012 1.00 72.33 H new ATOM 0 HA LYS A 105 14.184 13.662 25.906 1.00 1.43 H new ATOM 0 HB2 LYS A 105 13.343 12.872 28.173 1.00 20.33 H new ATOM 0 HB3 LYS A 105 12.112 13.417 27.049 1.00 20.33 H new ATOM 0 HG2 LYS A 105 11.472 11.141 26.524 1.00 34.34 H new ATOM 0 HG3 LYS A 105 12.843 10.491 27.402 1.00 34.34 H new ATOM 0 HD2 LYS A 105 11.945 11.201 29.524 1.00 43.12 H new ATOM 0 HD3 LYS A 105 10.726 12.198 28.756 1.00 43.12 H new ATOM 0 HE2 LYS A 105 9.318 10.444 28.430 1.00 55.41 H new ATOM 0 HE3 LYS A 105 10.604 9.391 27.874 1.00 55.41 H new ATOM 0 HZ1 LYS A 105 10.076 8.384 29.825 1.00 33.32 H new ATOM 0 HZ2 LYS A 105 11.251 9.459 30.414 1.00 33.32 H new ATOM 0 HZ3 LYS A 105 9.602 9.822 30.594 1.00 33.32 H new ATOM 1448 N LYS A 106 15.716 12.232 27.635 1.00 71.43 N ATOM 1449 CA LYS A 106 16.900 11.550 28.144 1.00 32.21 C ATOM 1450 C LYS A 106 16.561 10.131 28.591 1.00 13.41 C ATOM 1451 O LYS A 106 17.407 9.424 29.137 1.00 33.20 O ATOM 1452 CB LYS A 106 17.502 12.334 29.312 1.00 20.23 C ATOM 1453 CG LYS A 106 18.947 11.970 29.608 1.00 13.24 C ATOM 1454 CD LYS A 106 19.180 11.782 31.098 1.00 62.41 C ATOM 1455 CE LYS A 106 20.445 10.981 31.367 1.00 43.12 C ATOM 1456 NZ LYS A 106 20.152 9.699 32.065 1.00 64.45 N ATOM 0 H LYS A 106 15.410 13.023 28.201 1.00 71.43 H new ATOM 0 HA LYS A 106 17.631 11.493 27.337 1.00 32.21 H new ATOM 0 HB2 LYS A 106 17.442 13.400 29.092 1.00 20.23 H new ATOM 0 HB3 LYS A 106 16.902 12.158 30.205 1.00 20.23 H new ATOM 0 HG2 LYS A 106 19.208 11.053 29.079 1.00 13.24 H new ATOM 0 HG3 LYS A 106 19.605 12.753 29.232 1.00 13.24 H new ATOM 0 HD2 LYS A 106 19.255 12.756 31.581 1.00 62.41 H new ATOM 0 HD3 LYS A 106 18.324 11.272 31.540 1.00 62.41 H new ATOM 0 HE2 LYS A 106 20.951 10.774 30.424 1.00 43.12 H new ATOM 0 HE3 LYS A 106 21.130 11.576 31.972 1.00 43.12 H new ATOM 0 HZ1 LYS A 106 21.040 9.183 32.230 1.00 64.45 H new ATOM 0 HZ2 LYS A 106 19.692 9.897 32.977 1.00 64.45 H new ATOM 0 HZ3 LYS A 106 19.519 9.120 31.477 1.00 64.45 H new ATOM 1470 N ALA A 107 15.319 9.722 28.354 1.00 14.24 N ATOM 1471 CA ALA A 107 14.870 8.387 28.729 1.00 14.25 C ATOM 1472 C ALA A 107 14.700 7.500 27.501 1.00 24.41 C ATOM 1473 O ALA A 107 14.834 7.944 26.361 1.00 54.41 O ATOM 1474 CB ALA A 107 13.565 8.469 29.508 1.00 72.40 C ATOM 0 H ALA A 107 14.606 10.296 27.904 1.00 14.24 H new ATOM 0 HA ALA A 107 15.633 7.939 29.365 1.00 14.25 H new ATOM 0 HB1 ALA A 107 13.241 7.465 29.782 1.00 72.40 H new ATOM 0 HB2 ALA A 107 13.717 9.060 30.411 1.00 72.40 H new ATOM 0 HB3 ALA A 107 12.801 8.941 28.890 1.00 72.40 H new ATOM 1480 N PRO A 108 14.401 6.214 27.736 1.00 34.52 N ATOM 1481 CA PRO A 108 14.207 5.236 26.661 1.00 40.54 C ATOM 1482 C PRO A 108 12.929 5.492 25.869 1.00 61.52 C ATOM 1483 O PRO A 108 12.220 6.468 26.112 1.00 1.44 O ATOM 1484 CB PRO A 108 14.117 3.902 27.405 1.00 4.24 C ATOM 1485 CG PRO A 108 13.642 4.262 28.771 1.00 60.32 C ATOM 1486 CD PRO A 108 14.227 5.614 29.070 1.00 12.30 C ATOM 0 HA PRO A 108 15.010 5.275 25.925 1.00 40.54 H new ATOM 0 HB2 PRO A 108 13.425 3.220 26.912 1.00 4.24 H new ATOM 0 HB3 PRO A 108 15.085 3.403 27.441 1.00 4.24 H new ATOM 0 HG2 PRO A 108 12.553 4.291 28.811 1.00 60.32 H new ATOM 0 HG3 PRO A 108 13.968 3.525 29.505 1.00 60.32 H new ATOM 0 HD2 PRO A 108 13.562 6.210 29.695 1.00 12.30 H new ATOM 0 HD3 PRO A 108 15.176 5.533 29.601 1.00 12.30 H new ATOM 1494 N CYS A 109 12.640 4.607 24.920 1.00 11.11 N ATOM 1495 CA CYS A 109 11.447 4.736 24.092 1.00 61.11 C ATOM 1496 C CYS A 109 10.216 4.212 24.826 1.00 41.11 C ATOM 1497 O CYS A 109 10.302 3.259 25.601 1.00 54.33 O ATOM 1498 CB CYS A 109 11.630 3.978 22.776 1.00 65.14 C ATOM 1499 SG CYS A 109 10.768 4.730 21.358 1.00 33.32 S ATOM 0 H CYS A 109 13.216 3.793 24.706 1.00 11.11 H new ATOM 0 HA CYS A 109 11.297 5.794 23.877 1.00 61.11 H new ATOM 0 HB2 CYS A 109 12.694 3.917 22.549 1.00 65.14 H new ATOM 0 HB3 CYS A 109 11.272 2.956 22.905 1.00 65.14 H new ATOM 1504 N TRP A 110 9.073 4.841 24.576 1.00 24.10 N ATOM 1505 CA TRP A 110 7.824 4.438 25.213 1.00 45.32 C ATOM 1506 C TRP A 110 6.738 4.189 24.172 1.00 4.51 C ATOM 1507 O TRP A 110 6.815 4.690 23.050 1.00 12.30 O ATOM 1508 CB TRP A 110 7.364 5.510 26.202 1.00 20.03 C ATOM 1509 CG TRP A 110 6.690 6.676 25.544 1.00 23.12 C ATOM 1510 CD1 TRP A 110 5.543 6.648 24.803 1.00 3.54 C ATOM 1511 CD2 TRP A 110 7.123 8.040 25.566 1.00 5.33 C ATOM 1512 NE1 TRP A 110 5.237 7.914 24.364 1.00 64.24 N ATOM 1513 CE2 TRP A 110 6.191 8.786 24.819 1.00 73.32 C ATOM 1514 CE3 TRP A 110 8.207 8.705 26.146 1.00 1.33 C ATOM 1515 CZ2 TRP A 110 6.312 10.161 24.637 1.00 73.21 C ATOM 1516 CZ3 TRP A 110 8.326 10.070 25.965 1.00 71.04 C ATOM 1517 CH2 TRP A 110 7.382 10.786 25.216 1.00 44.11 C ATOM 0 H TRP A 110 8.985 5.631 23.937 1.00 24.10 H new ATOM 0 HA TRP A 110 8.003 3.508 25.753 1.00 45.32 H new ATOM 0 HB2 TRP A 110 6.678 5.061 26.920 1.00 20.03 H new ATOM 0 HB3 TRP A 110 8.226 5.868 26.765 1.00 20.03 H new ATOM 0 HD1 TRP A 110 4.962 5.762 24.593 1.00 3.54 H new ATOM 0 HE1 TRP A 110 4.430 8.164 23.792 1.00 64.24 H new ATOM 0 HE3 TRP A 110 8.939 8.162 26.725 1.00 1.33 H new ATOM 0 HZ2 TRP A 110 5.587 10.714 24.059 1.00 73.21 H new ATOM 0 HZ3 TRP A 110 9.160 10.594 26.408 1.00 71.04 H new ATOM 0 HH2 TRP A 110 7.502 11.852 25.094 1.00 44.11 H new ATOM 1528 N ARG A 111 5.728 3.414 24.551 1.00 22.42 N ATOM 1529 CA ARG A 111 4.627 3.098 23.649 1.00 10.03 C ATOM 1530 C ARG A 111 3.312 2.987 24.415 1.00 12.11 C ATOM 1531 O ARG A 111 3.303 2.736 25.621 1.00 45.12 O ATOM 1532 CB ARG A 111 4.908 1.791 22.905 1.00 52.52 C ATOM 1533 CG ARG A 111 4.921 0.568 23.806 1.00 23.31 C ATOM 1534 CD ARG A 111 4.876 -0.720 22.998 1.00 4.21 C ATOM 1535 NE ARG A 111 4.393 -1.847 23.791 1.00 53.11 N ATOM 1536 CZ ARG A 111 3.105 -2.105 23.993 1.00 44.40 C ATOM 1537 NH1 ARG A 111 2.178 -1.320 23.463 1.00 54.32 N ATOM 1538 NH2 ARG A 111 2.744 -3.150 24.726 1.00 11.44 N ATOM 0 H ARG A 111 5.649 2.993 25.477 1.00 22.42 H new ATOM 0 HA ARG A 111 4.539 3.908 22.925 1.00 10.03 H new ATOM 0 HB2 ARG A 111 4.153 1.654 22.131 1.00 52.52 H new ATOM 0 HB3 ARG A 111 5.871 1.870 22.400 1.00 52.52 H new ATOM 0 HG2 ARG A 111 5.819 0.580 24.424 1.00 23.31 H new ATOM 0 HG3 ARG A 111 4.067 0.604 24.483 1.00 23.31 H new ATOM 0 HD2 ARG A 111 4.229 -0.582 22.132 1.00 4.21 H new ATOM 0 HD3 ARG A 111 5.873 -0.945 22.618 1.00 4.21 H new ATOM 0 HE ARG A 111 5.082 -2.470 24.213 1.00 53.11 H new ATOM 0 HH11 ARG A 111 2.452 -0.516 22.899 1.00 54.32 H new ATOM 0 HH12 ARG A 111 1.190 -1.520 23.619 1.00 54.32 H new ATOM 0 HH21 ARG A 111 3.455 -3.756 25.135 1.00 11.44 H new ATOM 0 HH22 ARG A 111 1.755 -3.347 24.881 1.00 11.44 H new ATOM 1552 N CYS A 112 2.204 3.176 23.708 1.00 53.15 N ATOM 1553 CA CYS A 112 0.882 3.099 24.321 1.00 65.43 C ATOM 1554 C CYS A 112 0.566 1.670 24.752 1.00 50.24 C ATOM 1555 O CYS A 112 0.373 0.788 23.915 1.00 10.45 O ATOM 1556 CB CYS A 112 -0.185 3.599 23.346 1.00 20.33 C ATOM 1557 SG CYS A 112 -1.724 2.650 23.386 1.00 25.32 S ATOM 0 H CYS A 112 2.194 3.384 22.709 1.00 53.15 H new ATOM 0 HA CYS A 112 0.881 3.735 25.206 1.00 65.43 H new ATOM 0 HB2 CYS A 112 -0.408 4.642 23.571 1.00 20.33 H new ATOM 0 HB3 CYS A 112 0.220 3.571 22.335 1.00 20.33 H new ATOM 0 HG CYS A 112 -1.450 1.382 23.469 1.00 25.32 H new ATOM 1563 N GLU A 113 0.516 1.450 26.062 1.00 42.03 N ATOM 1564 CA GLU A 113 0.226 0.127 26.603 1.00 53.52 C ATOM 1565 C GLU A 113 -0.727 0.223 27.791 1.00 73.02 C ATOM 1566 O GLU A 113 -0.371 0.749 28.845 1.00 14.44 O ATOM 1567 CB GLU A 113 1.520 -0.570 27.028 1.00 52.51 C ATOM 1568 CG GLU A 113 2.488 0.341 27.765 1.00 34.21 C ATOM 1569 CD GLU A 113 3.392 -0.418 28.717 1.00 41.22 C ATOM 1570 OE1 GLU A 113 3.108 -1.604 28.986 1.00 50.04 O ATOM 1571 OE2 GLU A 113 4.383 0.174 29.193 1.00 63.12 O ATOM 0 H GLU A 113 0.672 2.170 26.768 1.00 42.03 H new ATOM 0 HA GLU A 113 -0.254 -0.461 25.820 1.00 53.52 H new ATOM 0 HB2 GLU A 113 1.273 -1.417 27.668 1.00 52.51 H new ATOM 0 HB3 GLU A 113 2.014 -0.972 26.143 1.00 52.51 H new ATOM 0 HG2 GLU A 113 3.099 0.878 27.040 1.00 34.21 H new ATOM 0 HG3 GLU A 113 1.924 1.089 28.323 1.00 34.21 H new ATOM 1721 N CYS A 123 -1.672 1.747 19.616 1.00 12.33 N ATOM 1722 CA CYS A 123 -0.413 2.304 20.098 1.00 11.42 C ATOM 1723 C CYS A 123 0.506 2.659 18.934 1.00 74.04 C ATOM 1724 O CYS A 123 0.141 2.495 17.770 1.00 42.40 O ATOM 1725 CB CYS A 123 0.284 1.312 21.030 1.00 41.01 C ATOM 1726 SG CYS A 123 1.150 -0.023 20.171 1.00 4.14 S ATOM 0 HA CYS A 123 -0.636 3.216 20.652 1.00 11.42 H new ATOM 0 HB2 CYS A 123 0.998 1.853 21.651 1.00 41.01 H new ATOM 0 HB3 CYS A 123 -0.457 0.878 21.701 1.00 41.01 H new ATOM 0 HG CYS A 123 2.218 -0.348 20.838 1.00 4.14 H new ATOM 1732 N GLY A 124 1.700 3.148 19.256 1.00 74.53 N ATOM 1733 CA GLY A 124 2.651 3.520 18.225 1.00 24.44 C ATOM 1734 C GLY A 124 3.193 2.319 17.475 1.00 34.20 C ATOM 1735 O GLY A 124 3.358 2.363 16.255 1.00 15.33 O ATOM 0 H GLY A 124 2.025 3.293 20.212 1.00 74.53 H new ATOM 0 HA2 GLY A 124 2.171 4.198 17.520 1.00 24.44 H new ATOM 0 HA3 GLY A 124 3.479 4.065 18.678 1.00 24.44 H new ATOM 1739 N CYS A 125 3.471 1.244 18.204 1.00 10.02 N ATOM 1740 CA CYS A 125 4.000 0.026 17.600 1.00 15.10 C ATOM 1741 C CYS A 125 2.995 -0.576 16.623 1.00 62.12 C ATOM 1742 O CYS A 125 3.338 -1.447 15.824 1.00 22.23 O ATOM 1743 CB CYS A 125 4.350 -0.995 18.683 1.00 3.35 C ATOM 1744 SG CYS A 125 5.718 -0.493 19.755 1.00 35.32 S ATOM 0 H CYS A 125 3.339 1.191 19.214 1.00 10.02 H new ATOM 0 HA CYS A 125 4.905 0.286 17.050 1.00 15.10 H new ATOM 0 HB2 CYS A 125 3.468 -1.174 19.297 1.00 3.35 H new ATOM 0 HB3 CYS A 125 4.604 -1.942 18.206 1.00 3.35 H new ATOM 0 HG CYS A 125 6.078 -1.497 20.498 1.00 35.32 H new ATOM 1750 N GLU A 126 1.754 -0.106 16.694 1.00 74.52 N ATOM 1751 CA GLU A 126 0.699 -0.601 15.817 1.00 61.35 C ATOM 1752 C GLU A 126 0.479 0.348 14.642 1.00 72.51 C ATOM 1753 O GLU A 126 -0.501 0.224 13.906 1.00 12.41 O ATOM 1754 CB GLU A 126 -0.605 -0.775 16.598 1.00 51.04 C ATOM 1755 CG GLU A 126 -1.474 -1.912 16.086 1.00 11.41 C ATOM 1756 CD GLU A 126 -2.372 -1.489 14.939 1.00 24.22 C ATOM 1757 OE1 GLU A 126 -2.624 -2.324 14.045 1.00 23.34 O ATOM 1758 OE2 GLU A 126 -2.822 -0.324 14.935 1.00 25.41 O ATOM 0 H GLU A 126 1.454 0.616 17.349 1.00 74.52 H new ATOM 0 HA GLU A 126 1.011 -1.569 15.426 1.00 61.35 H new ATOM 0 HB2 GLU A 126 -0.369 -0.953 17.647 1.00 51.04 H new ATOM 0 HB3 GLU A 126 -1.173 0.154 16.552 1.00 51.04 H new ATOM 0 HG2 GLU A 126 -0.836 -2.733 15.759 1.00 11.41 H new ATOM 0 HG3 GLU A 126 -2.088 -2.291 16.903 1.00 11.41 H new ATOM 1765 N CYS A 127 1.396 1.293 14.473 1.00 1.32 N ATOM 1766 CA CYS A 127 1.302 2.265 13.389 1.00 23.21 C ATOM 1767 C CYS A 127 2.031 1.765 12.146 1.00 23.43 C ATOM 1768 O CYS A 127 2.772 0.783 12.202 1.00 75.44 O ATOM 1769 CB CYS A 127 1.883 3.609 13.830 1.00 42.25 C ATOM 1770 SG CYS A 127 3.665 3.767 13.563 1.00 74.42 S ATOM 0 H CYS A 127 2.213 1.407 15.072 1.00 1.32 H new ATOM 0 HA CYS A 127 0.249 2.396 13.142 1.00 23.21 H new ATOM 0 HB2 CYS A 127 1.374 4.407 13.290 1.00 42.25 H new ATOM 0 HB3 CYS A 127 1.671 3.754 14.889 1.00 42.25 H new ATOM 0 HG CYS A 127 3.912 3.796 12.287 1.00 74.42 H new ATOM 1776 N SER A 128 1.815 2.446 11.026 1.00 63.24 N ATOM 1777 CA SER A 128 2.447 2.067 9.767 1.00 5.51 C ATOM 1778 C SER A 128 3.652 2.957 9.475 1.00 10.22 C ATOM 1779 O SER A 128 4.055 3.770 10.308 1.00 62.24 O ATOM 1780 CB SER A 128 1.441 2.159 8.619 1.00 40.24 C ATOM 1781 OG SER A 128 1.130 0.874 8.109 1.00 21.00 O ATOM 0 H SER A 128 1.207 3.263 10.964 1.00 63.24 H new ATOM 0 HA SER A 128 2.791 1.037 9.857 1.00 5.51 H new ATOM 0 HB2 SER A 128 0.530 2.645 8.968 1.00 40.24 H new ATOM 0 HB3 SER A 128 1.849 2.781 7.822 1.00 40.24 H new ATOM 0 HG SER A 128 0.170 0.706 8.208 1.00 21.00 H new ATOM 1787 N LYS A 129 4.223 2.797 8.286 1.00 1.42 N ATOM 1788 CA LYS A 129 5.381 3.585 7.881 1.00 40.51 C ATOM 1789 C LYS A 129 5.000 5.049 7.680 1.00 71.30 C ATOM 1790 O LYS A 129 5.103 5.581 6.574 1.00 10.52 O ATOM 1791 CB LYS A 129 5.981 3.022 6.591 1.00 61.11 C ATOM 1792 CG LYS A 129 7.420 3.445 6.354 1.00 44.42 C ATOM 1793 CD LYS A 129 7.627 3.950 4.935 1.00 32.34 C ATOM 1794 CE LYS A 129 7.406 2.845 3.913 1.00 1.14 C ATOM 1795 NZ LYS A 129 6.090 2.978 3.228 1.00 5.05 N ATOM 0 H LYS A 129 3.902 2.128 7.586 1.00 1.42 H new ATOM 0 HA LYS A 129 6.124 3.527 8.676 1.00 40.51 H new ATOM 0 HB2 LYS A 129 5.932 1.934 6.622 1.00 61.11 H new ATOM 0 HB3 LYS A 129 5.372 3.345 5.746 1.00 61.11 H new ATOM 0 HG2 LYS A 129 7.692 4.227 7.063 1.00 44.42 H new ATOM 0 HG3 LYS A 129 8.084 2.601 6.541 1.00 44.42 H new ATOM 0 HD2 LYS A 129 6.941 4.773 4.737 1.00 32.34 H new ATOM 0 HD3 LYS A 129 8.637 4.346 4.832 1.00 32.34 H new ATOM 0 HE2 LYS A 129 8.205 2.870 3.172 1.00 1.14 H new ATOM 0 HE3 LYS A 129 7.461 1.876 4.408 1.00 1.14 H new ATOM 0 HZ1 LYS A 129 6.177 2.655 2.243 1.00 5.05 H new ATOM 0 HZ2 LYS A 129 5.382 2.398 3.721 1.00 5.05 H new ATOM 0 HZ3 LYS A 129 5.791 3.974 3.240 1.00 5.05 H new ATOM 1809 N LEU A 130 4.561 5.694 8.755 1.00 31.10 N ATOM 1810 CA LEU A 130 4.166 7.097 8.697 1.00 11.00 C ATOM 1811 C LEU A 130 5.358 7.984 8.353 1.00 53.55 C ATOM 1812 O LEU A 130 6.515 7.578 8.453 1.00 24.22 O ATOM 1813 CB LEU A 130 3.561 7.532 10.033 1.00 55.44 C ATOM 1814 CG LEU A 130 2.093 7.165 10.256 1.00 22.21 C ATOM 1815 CD1 LEU A 130 1.238 7.655 9.098 1.00 12.12 C ATOM 1816 CD2 LEU A 130 1.941 5.661 10.435 1.00 43.24 C ATOM 0 H LEU A 130 4.470 5.268 9.677 1.00 31.10 H new ATOM 0 HA LEU A 130 3.417 7.206 7.913 1.00 11.00 H new ATOM 0 HB2 LEU A 130 4.151 7.092 10.837 1.00 55.44 H new ATOM 0 HB3 LEU A 130 3.662 8.614 10.120 1.00 55.44 H new ATOM 0 HG LEU A 130 1.750 7.656 11.167 1.00 22.21 H new ATOM 0 HD11 LEU A 130 0.197 7.385 9.275 1.00 12.12 H new ATOM 0 HD12 LEU A 130 1.323 8.739 9.016 1.00 12.12 H new ATOM 0 HD13 LEU A 130 1.581 7.193 8.172 1.00 12.12 H new ATOM 0 HD21 LEU A 130 0.890 5.418 10.593 1.00 43.24 H new ATOM 0 HD22 LEU A 130 2.302 5.150 9.542 1.00 43.24 H new ATOM 0 HD23 LEU A 130 2.522 5.337 11.298 1.00 43.24 H new ATOM 1828 N PRO A 131 5.070 9.227 7.938 1.00 1.30 N ATOM 1829 CA PRO A 131 6.105 10.199 7.573 1.00 11.31 C ATOM 1830 C PRO A 131 6.900 10.681 8.782 1.00 51.12 C ATOM 1831 O PRO A 131 7.948 11.312 8.637 1.00 34.15 O ATOM 1832 CB PRO A 131 5.307 11.354 6.963 1.00 41.42 C ATOM 1833 CG PRO A 131 3.955 11.248 7.579 1.00 72.23 C ATOM 1834 CD PRO A 131 3.713 9.779 7.794 1.00 14.43 C ATOM 0 HA PRO A 131 6.846 9.771 6.898 1.00 11.31 H new ATOM 0 HB2 PRO A 131 5.769 12.316 7.186 1.00 41.42 H new ATOM 0 HB3 PRO A 131 5.255 11.269 5.878 1.00 41.42 H new ATOM 0 HG2 PRO A 131 3.912 11.793 8.522 1.00 72.23 H new ATOM 0 HG3 PRO A 131 3.194 11.678 6.927 1.00 72.23 H new ATOM 0 HD2 PRO A 131 3.109 9.597 8.683 1.00 14.43 H new ATOM 0 HD3 PRO A 131 3.184 9.331 6.952 1.00 14.43 H new ATOM 1842 N CYS A 132 6.396 10.380 9.974 1.00 60.21 N ATOM 1843 CA CYS A 132 7.059 10.782 11.209 1.00 72.24 C ATOM 1844 C CYS A 132 7.171 9.605 12.174 1.00 43.04 C ATOM 1845 O CYS A 132 6.817 9.715 13.347 1.00 41.15 O ATOM 1846 CB CYS A 132 6.294 11.929 11.872 1.00 20.45 C ATOM 1847 SG CYS A 132 7.223 12.777 13.190 1.00 13.11 S ATOM 0 H CYS A 132 5.530 9.859 10.111 1.00 60.21 H new ATOM 0 HA CYS A 132 8.064 11.121 10.959 1.00 72.24 H new ATOM 0 HB2 CYS A 132 6.019 12.657 11.109 1.00 20.45 H new ATOM 0 HB3 CYS A 132 5.366 11.539 12.289 1.00 20.45 H new ATOM 1852 N ASN A 133 7.667 8.479 11.670 1.00 2.41 N ATOM 1853 CA ASN A 133 7.826 7.282 12.487 1.00 65.31 C ATOM 1854 C ASN A 133 9.163 6.604 12.203 1.00 23.52 C ATOM 1855 O ASN A 133 9.446 6.216 11.069 1.00 4.43 O ATOM 1856 CB ASN A 133 6.680 6.304 12.224 1.00 73.41 C ATOM 1857 CG ASN A 133 7.014 5.299 11.138 1.00 1.12 C ATOM 1858 OD1 ASN A 133 7.206 5.663 9.978 1.00 55.11 O ATOM 1859 ND2 ASN A 133 7.086 4.027 11.511 1.00 33.44 N ATOM 0 H ASN A 133 7.965 8.371 10.701 1.00 2.41 H new ATOM 0 HA ASN A 133 7.806 7.582 13.535 1.00 65.31 H new ATOM 0 HB2 ASN A 133 6.441 5.773 13.145 1.00 73.41 H new ATOM 0 HB3 ASN A 133 5.789 6.862 11.937 1.00 73.41 H new ATOM 0 HD21 ASN A 133 7.308 3.306 10.825 1.00 33.44 H new ATOM 0 HD22 ASN A 133 6.919 3.771 12.484 1.00 33.44 H new ATOM 2085 N ASP A 149 6.480 6.718 16.433 1.00 15.51 N ATOM 2086 CA ASP A 149 5.698 7.654 15.633 1.00 70.03 C ATOM 2087 C ASP A 149 5.594 9.008 16.327 1.00 41.30 C ATOM 2088 O ASP A 149 6.080 9.184 17.445 1.00 44.05 O ATOM 2089 CB ASP A 149 4.300 7.092 15.373 1.00 74.52 C ATOM 2090 CG ASP A 149 3.349 7.347 16.526 1.00 3.20 C ATOM 2091 OD1 ASP A 149 3.347 6.544 17.483 1.00 71.04 O ATOM 2092 OD2 ASP A 149 2.609 8.351 16.472 1.00 35.15 O ATOM 0 HA ASP A 149 6.208 7.793 14.680 1.00 70.03 H new ATOM 0 HB2 ASP A 149 3.895 7.540 14.466 1.00 74.52 H new ATOM 0 HB3 ASP A 149 4.370 6.019 15.195 1.00 74.52 H new ATOM 2097 N CYS A 150 4.958 9.964 15.657 1.00 21.41 N ATOM 2098 CA CYS A 150 4.791 11.303 16.208 1.00 43.11 C ATOM 2099 C CYS A 150 3.487 11.410 16.993 1.00 23.33 C ATOM 2100 O CYS A 150 2.424 11.020 16.510 1.00 62.22 O ATOM 2101 CB CYS A 150 4.811 12.344 15.087 1.00 51.21 C ATOM 2102 SG CYS A 150 6.279 13.423 15.099 1.00 20.43 S ATOM 0 H CYS A 150 4.550 9.835 14.731 1.00 21.41 H new ATOM 0 HA CYS A 150 5.621 11.495 16.888 1.00 43.11 H new ATOM 0 HB2 CYS A 150 4.759 11.830 14.127 1.00 51.21 H new ATOM 0 HB3 CYS A 150 3.918 12.963 15.165 1.00 51.21 H new ATOM 2107 N LYS A 151 3.577 11.941 18.208 1.00 75.01 N ATOM 2108 CA LYS A 151 2.405 12.101 19.061 1.00 3.43 C ATOM 2109 C LYS A 151 2.783 12.755 20.387 1.00 62.03 C ATOM 2110 O LYS A 151 2.753 13.979 20.519 1.00 44.15 O ATOM 2111 CB LYS A 151 1.747 10.744 19.319 1.00 11.13 C ATOM 2112 CG LYS A 151 0.601 10.803 20.315 1.00 44.21 C ATOM 2113 CD LYS A 151 -0.279 12.019 20.080 1.00 11.15 C ATOM 2114 CE LYS A 151 -0.866 12.020 18.677 1.00 32.14 C ATOM 2115 NZ LYS A 151 -1.630 13.267 18.396 1.00 0.04 N ATOM 0 H LYS A 151 4.449 12.268 18.624 1.00 75.01 H new ATOM 0 HA LYS A 151 1.696 12.749 18.545 1.00 3.43 H new ATOM 0 HB2 LYS A 151 1.377 10.344 18.375 1.00 11.13 H new ATOM 0 HB3 LYS A 151 2.501 10.048 19.686 1.00 11.13 H new ATOM 0 HG2 LYS A 151 0.000 9.897 20.234 1.00 44.21 H new ATOM 0 HG3 LYS A 151 1.000 10.832 21.329 1.00 44.21 H new ATOM 0 HD2 LYS A 151 -1.086 12.033 20.813 1.00 11.15 H new ATOM 0 HD3 LYS A 151 0.305 12.927 20.232 1.00 11.15 H new ATOM 0 HE2 LYS A 151 -0.063 11.914 17.947 1.00 32.14 H new ATOM 0 HE3 LYS A 151 -1.522 11.158 18.557 1.00 32.14 H new ATOM 0 HZ1 LYS A 151 -2.014 13.229 17.430 1.00 0.04 H new ATOM 0 HZ2 LYS A 151 -2.412 13.356 19.076 1.00 0.04 H new ATOM 0 HZ3 LYS A 151 -0.999 14.089 18.485 1.00 0.04 H new ATOM 2129 N THR A 152 3.140 11.931 21.367 1.00 3.22 N ATOM 2130 CA THR A 152 3.524 12.429 22.682 1.00 44.10 C ATOM 2131 C THR A 152 4.991 12.846 22.705 1.00 34.33 C ATOM 2132 O THR A 152 5.604 12.934 23.770 1.00 74.44 O ATOM 2133 CB THR A 152 3.286 11.371 23.775 1.00 32.43 C ATOM 2134 OG1 THR A 152 3.656 10.075 23.292 1.00 71.45 O ATOM 2135 CG2 THR A 152 1.827 11.359 24.208 1.00 64.42 C ATOM 0 H THR A 152 3.171 10.916 21.275 1.00 3.22 H new ATOM 0 HA THR A 152 2.898 13.298 22.886 1.00 44.10 H new ATOM 0 HB THR A 152 3.903 11.626 24.637 1.00 32.43 H new ATOM 0 HG1 THR A 152 4.388 9.719 23.838 1.00 71.45 H new ATOM 0 HG21 THR A 152 1.683 10.604 24.981 1.00 64.42 H new ATOM 0 HG22 THR A 152 1.557 12.338 24.603 1.00 64.42 H new ATOM 0 HG23 THR A 152 1.195 11.126 23.351 1.00 64.42 H new ATOM 2143 N ILE A 153 5.547 13.102 21.526 1.00 31.51 N ATOM 2144 CA ILE A 153 6.941 13.511 21.413 1.00 62.15 C ATOM 2145 C ILE A 153 7.288 14.574 22.449 1.00 2.01 C ATOM 2146 O ILE A 153 6.406 15.244 22.988 1.00 63.21 O ATOM 2147 CB ILE A 153 7.255 14.058 20.008 1.00 54.35 C ATOM 2148 CG1 ILE A 153 8.767 14.182 19.810 1.00 31.21 C ATOM 2149 CG2 ILE A 153 6.576 15.404 19.800 1.00 42.10 C ATOM 2150 CD1 ILE A 153 9.173 14.391 18.368 1.00 71.30 C ATOM 0 H ILE A 153 5.054 13.033 20.636 1.00 31.51 H new ATOM 0 HA ILE A 153 7.546 12.622 21.592 1.00 62.15 H new ATOM 0 HB ILE A 153 6.867 13.358 19.267 1.00 54.35 H new ATOM 0 HG12 ILE A 153 9.136 15.016 20.407 1.00 31.21 H new ATOM 0 HG13 ILE A 153 9.250 13.281 20.188 1.00 31.21 H new ATOM 0 HG21 ILE A 153 6.807 15.778 18.803 1.00 42.10 H new ATOM 0 HG22 ILE A 153 5.497 15.287 19.903 1.00 42.10 H new ATOM 0 HG23 ILE A 153 6.937 16.113 20.546 1.00 42.10 H new ATOM 0 HD11 ILE A 153 10.258 14.470 18.303 1.00 71.30 H new ATOM 0 HD12 ILE A 153 8.835 13.546 17.769 1.00 71.30 H new ATOM 0 HD13 ILE A 153 8.719 15.308 17.991 1.00 71.30 H new ATOM 2268 N TYR A 162 7.825 15.369 26.996 1.00 24.34 N ATOM 2269 CA TYR A 162 6.633 14.942 26.274 1.00 40.34 C ATOM 2270 C TYR A 162 5.597 16.061 26.224 1.00 50.12 C ATOM 2271 O TYR A 162 5.390 16.776 27.205 1.00 22.00 O ATOM 2272 CB TYR A 162 6.028 13.701 26.932 1.00 5.12 C ATOM 2273 CG TYR A 162 6.193 13.672 28.435 1.00 65.22 C ATOM 2274 CD1 TYR A 162 5.488 14.551 29.248 1.00 60.51 C ATOM 2275 CD2 TYR A 162 7.055 12.767 29.042 1.00 62.45 C ATOM 2276 CE1 TYR A 162 5.636 14.528 30.621 1.00 10.03 C ATOM 2277 CE2 TYR A 162 7.208 12.736 30.414 1.00 23.11 C ATOM 2278 CZ TYR A 162 6.497 13.619 31.200 1.00 72.44 C ATOM 2279 OH TYR A 162 6.648 13.592 32.567 1.00 13.21 O ATOM 0 HA TYR A 162 6.927 14.696 25.253 1.00 40.34 H new ATOM 0 HB2 TYR A 162 4.966 13.653 26.690 1.00 5.12 H new ATOM 0 HB3 TYR A 162 6.492 12.811 26.507 1.00 5.12 H new ATOM 0 HD1 TYR A 162 4.813 15.264 28.799 1.00 60.51 H new ATOM 0 HD2 TYR A 162 7.615 12.076 28.430 1.00 62.45 H new ATOM 0 HE1 TYR A 162 5.080 15.218 31.238 1.00 10.03 H new ATOM 0 HE2 TYR A 162 7.881 12.024 30.869 1.00 23.11 H new ATOM 0 HH TYR A 162 7.290 12.893 32.811 1.00 13.21 H new ATOM 2289 N HIS A 163 4.947 16.206 25.073 1.00 4.42 N ATOM 2290 CA HIS A 163 3.931 17.237 24.894 1.00 10.10 C ATOM 2291 C HIS A 163 2.759 17.015 25.845 1.00 54.21 C ATOM 2292 O HIS A 163 2.517 17.819 26.746 1.00 73.34 O ATOM 2293 CB HIS A 163 3.435 17.248 23.448 1.00 73.21 C ATOM 2294 CG HIS A 163 4.296 18.054 22.525 1.00 63.50 C ATOM 2295 ND1 HIS A 163 5.668 17.921 22.468 1.00 13.23 N ATOM 2296 CD2 HIS A 163 3.974 19.005 21.617 1.00 32.44 C ATOM 2297 CE1 HIS A 163 6.152 18.757 21.567 1.00 14.21 C ATOM 2298 NE2 HIS A 163 5.144 19.426 21.036 1.00 42.12 N ATOM 0 H HIS A 163 5.106 15.623 24.251 1.00 4.42 H new ATOM 0 HA HIS A 163 4.383 18.202 25.122 1.00 10.10 H new ATOM 0 HB2 HIS A 163 3.385 16.223 23.082 1.00 73.21 H new ATOM 0 HB3 HIS A 163 2.420 17.645 23.424 1.00 73.21 H new ATOM 0 HD1 HIS A 163 6.222 17.278 23.033 1.00 13.23 H new ATOM 0 HD2 HIS A 163 2.981 19.365 21.392 1.00 32.44 H new ATOM 0 HE1 HIS A 163 7.194 18.874 21.308 1.00 14.21 H new ATOM 2306 N SER A 164 2.034 15.921 25.638 1.00 73.44 N ATOM 2307 CA SER A 164 0.884 15.596 26.473 1.00 31.45 C ATOM 2308 C SER A 164 0.582 14.101 26.425 1.00 23.22 C ATOM 2309 O SER A 164 1.481 13.281 26.233 1.00 35.23 O ATOM 2310 CB SER A 164 -0.343 16.390 26.021 1.00 30.30 C ATOM 2311 OG SER A 164 -1.201 16.669 27.114 1.00 73.34 O ATOM 0 H SER A 164 2.223 15.244 24.899 1.00 73.44 H new ATOM 0 HA SER A 164 1.125 15.868 27.501 1.00 31.45 H new ATOM 0 HB2 SER A 164 -0.025 17.324 25.557 1.00 30.30 H new ATOM 0 HB3 SER A 164 -0.886 15.826 25.263 1.00 30.30 H new ATOM 0 HG SER A 164 -1.977 17.178 26.799 1.00 73.34 H new ATOM 2317 N TYR A 165 -0.688 13.754 26.601 1.00 41.22 N ATOM 2318 CA TYR A 165 -1.109 12.358 26.580 1.00 51.40 C ATOM 2319 C TYR A 165 -2.214 12.138 25.552 1.00 55.22 C ATOM 2320 O TYR A 165 -3.298 12.711 25.658 1.00 34.22 O ATOM 2321 CB TYR A 165 -1.594 11.929 27.966 1.00 44.50 C ATOM 2322 CG TYR A 165 -2.601 12.878 28.576 1.00 42.13 C ATOM 2323 CD1 TYR A 165 -3.965 12.631 28.478 1.00 23.22 C ATOM 2324 CD2 TYR A 165 -2.189 14.022 29.248 1.00 30.13 C ATOM 2325 CE1 TYR A 165 -4.889 13.495 29.033 1.00 22.11 C ATOM 2326 CE2 TYR A 165 -3.106 14.891 29.808 1.00 62.34 C ATOM 2327 CZ TYR A 165 -4.454 14.623 29.697 1.00 14.12 C ATOM 2328 OH TYR A 165 -5.371 15.487 30.252 1.00 61.04 O ATOM 0 H TYR A 165 -1.444 14.420 26.760 1.00 41.22 H new ATOM 0 HA TYR A 165 -0.249 11.750 26.299 1.00 51.40 H new ATOM 0 HB2 TYR A 165 -2.039 10.937 27.895 1.00 44.50 H new ATOM 0 HB3 TYR A 165 -0.736 11.846 28.632 1.00 44.50 H new ATOM 0 HD1 TYR A 165 -4.309 11.748 27.959 1.00 23.22 H new ATOM 0 HD2 TYR A 165 -1.134 14.236 29.334 1.00 30.13 H new ATOM 0 HE1 TYR A 165 -5.946 13.289 28.948 1.00 22.11 H new ATOM 0 HE2 TYR A 165 -2.769 15.775 30.329 1.00 62.34 H new ATOM 0 HH TYR A 165 -4.900 16.230 30.684 1.00 61.04 H new ATOM 2338 N GLU A 166 -1.931 11.303 24.557 1.00 44.41 N ATOM 2339 CA GLU A 166 -2.900 11.007 23.509 1.00 53.10 C ATOM 2340 C GLU A 166 -2.432 9.836 22.650 1.00 72.01 C ATOM 2341 O GLU A 166 -1.235 9.647 22.440 1.00 5.13 O ATOM 2342 CB GLU A 166 -3.128 12.239 22.631 1.00 42.23 C ATOM 2343 CG GLU A 166 -4.538 12.798 22.719 1.00 72.51 C ATOM 2344 CD GLU A 166 -4.795 13.897 21.707 1.00 62.15 C ATOM 2345 OE1 GLU A 166 -4.415 13.720 20.530 1.00 22.41 O ATOM 2346 OE2 GLU A 166 -5.375 14.934 22.090 1.00 22.01 O ATOM 0 H GLU A 166 -1.039 10.820 24.455 1.00 44.41 H new ATOM 0 HA GLU A 166 -3.840 10.732 23.987 1.00 53.10 H new ATOM 0 HB2 GLU A 166 -2.420 13.016 22.919 1.00 42.23 H new ATOM 0 HB3 GLU A 166 -2.913 11.980 21.594 1.00 42.23 H new ATOM 0 HG2 GLU A 166 -5.255 11.992 22.564 1.00 72.51 H new ATOM 0 HG3 GLU A 166 -4.708 13.187 23.723 1.00 72.51 H new ATOM 2353 N GLU A 167 -3.387 9.053 22.156 1.00 25.15 N ATOM 2354 CA GLU A 167 -3.072 7.900 21.322 1.00 63.44 C ATOM 2355 C GLU A 167 -3.561 8.113 19.892 1.00 42.10 C ATOM 2356 O GLU A 167 -4.688 7.756 19.550 1.00 32.44 O ATOM 2357 CB GLU A 167 -3.702 6.633 21.904 1.00 13.02 C ATOM 2358 CG GLU A 167 -4.069 6.756 23.374 1.00 50.14 C ATOM 2359 CD GLU A 167 -5.416 7.419 23.585 1.00 34.20 C ATOM 2360 OE1 GLU A 167 -6.087 7.733 22.579 1.00 23.20 O ATOM 2361 OE2 GLU A 167 -5.800 7.624 24.755 1.00 34.33 O ATOM 0 H GLU A 167 -4.384 9.197 22.319 1.00 25.15 H new ATOM 0 HA GLU A 167 -1.988 7.783 21.304 1.00 63.44 H new ATOM 0 HB2 GLU A 167 -4.598 6.388 21.334 1.00 13.02 H new ATOM 0 HB3 GLU A 167 -3.008 5.802 21.780 1.00 13.02 H new ATOM 0 HG2 GLU A 167 -4.082 5.764 23.826 1.00 50.14 H new ATOM 0 HG3 GLU A 167 -3.300 7.331 23.890 1.00 50.14 H new ATOM 2368 N ASP A 168 -2.705 8.699 19.062 1.00 60.43 N ATOM 2369 CA ASP A 168 -3.048 8.960 17.669 1.00 74.03 C ATOM 2370 C ASP A 168 -1.803 8.936 16.788 1.00 20.51 C ATOM 2371 O ASP A 168 -0.851 9.679 17.022 1.00 64.55 O ATOM 2372 CB ASP A 168 -3.753 10.311 17.540 1.00 41.42 C ATOM 2373 CG ASP A 168 -5.136 10.188 16.932 1.00 72.42 C ATOM 2374 OD1 ASP A 168 -5.232 10.076 15.691 1.00 3.53 O ATOM 2375 OD2 ASP A 168 -6.123 10.201 17.696 1.00 32.24 O ATOM 0 H ASP A 168 -1.769 9.002 19.330 1.00 60.43 H new ATOM 0 HA ASP A 168 -3.723 8.173 17.334 1.00 74.03 H new ATOM 0 HB2 ASP A 168 -3.832 10.771 18.525 1.00 41.42 H new ATOM 0 HB3 ASP A 168 -3.147 10.976 16.925 1.00 41.42 H new ATOM 2380 N GLY A 169 -1.817 8.075 15.775 1.00 73.42 N ATOM 2381 CA GLY A 169 -0.683 7.968 14.876 1.00 53.55 C ATOM 2382 C GLY A 169 -0.484 9.220 14.043 1.00 34.51 C ATOM 2383 O GLY A 169 -1.450 9.822 13.574 1.00 12.34 O ATOM 0 H GLY A 169 -2.594 7.450 15.561 1.00 73.42 H new ATOM 0 HA2 GLY A 169 0.219 7.774 15.456 1.00 53.55 H new ATOM 0 HA3 GLY A 169 -0.827 7.114 14.214 1.00 53.55 H new