USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=36 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 100 HIS : no HE2:sc= -6.43! C(o=-6.6!,f=-10!) USER MOD Set 1.2: A 112 CYS SG : rot -165:sc= -1.08 USER MOD Set 1.3: A 123 CYS SG : rot 13:sc= 0.917 USER MOD Set 2.1: A 38 LYS NZ :NH3+ -154:sc= -0.0434 (180deg=-0.433) USER MOD Set 2.2: A 42 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 25 CYS SG : rot -36:sc= 0.358 USER MOD Set 3.2: A 26 SER OG : rot -130:sc= -0.944 USER MOD Set 4.1: A 18 CYS SG : rot 170:sc= -3.22 USER MOD Set 4.2: A 21 ASN :FLIP amide:sc= -21.3! C(o=-29!,f=-25!) USER MOD Single : A 17 HIS : no HD1:sc= -11.9! C(o=-12!,f=-16!) USER MOD Single : A 24 ASN : amide:sc= -0.861 X(o=-0.86,f=-1) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -2.13 K(o=-2.1,f=-3.9!) USER MOD Single : A 29 CYS SG : rot 60:sc= -0.174 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 HIS :FLIP no HD1:sc= -1.88 F(o=-2.7,f=-1.9) USER MOD Single : A 50 CYS SG : rot 180:sc= 0.0196 USER MOD Single : A 53 ASN : amide:sc= -1.8 K(o=-1.8,f=-5.7!) USER MOD Single : A 54 ASN :FLIP amide:sc= -1.57! C(o=-4.2!,f=-1.6!) USER MOD Single : A 65 CYS SG : rot -69:sc= -0.536 USER MOD Single : A 66 ASN :FLIP amide:sc= -2.06! C(o=-3.9!,f=-2.1!) USER MOD Single : A 69 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-3.3!) USER MOD Single : A 71 CYS SG : rot 130:sc= 0.019 USER MOD Single : A 72 HIS : no HD1:sc= -0.275 K(o=-0.27,f=-1.4) USER MOD Single : A 73 HIS : no HE2:sc= -1.79 K(o=-1.8,f=-3.6) USER MOD Single : A 74 CYS SG : rot 180:sc= -2.21 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0199 USER MOD Single : A 83 HIS : no HD1:sc= -0.044 X(o=-0.044,f=-0.36) USER MOD Single : A 84 CYS SG : rot 180:sc= 0.0608 USER MOD Single : A 85 HIS : no HE2:sc= -1.4 K(o=-1.4,f=-3.6!) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 CYS SG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 152:sc= 2.04 USER MOD Single : A 104 THR OG1 : rot 49:sc= -1.61! USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 CYS SG : rot 180:sc= -0.482 USER MOD Single : A 127 CYS SG : rot 67:sc= 0.175 USER MOD Single : A 128 SER OG : rot 180:sc= 0.158 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN :FLIP amide:sc= -3.57! F(o=-4.8,f=-3.6!) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot 143:sc= 0.856 USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 163 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 164 SER OG : rot 39:sc= 0.0351 USER MOD Single : A 165 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 216 N HIS A 17 1.857 -5.181 4.078 1.00 72.33 N ATOM 217 CA HIS A 17 2.141 -4.658 5.409 1.00 21.22 C ATOM 218 C HIS A 17 1.259 -5.331 6.457 1.00 50.51 C ATOM 219 O HIS A 17 0.195 -5.863 6.137 1.00 2.35 O ATOM 220 CB HIS A 17 1.928 -3.144 5.442 1.00 61.53 C ATOM 221 CG HIS A 17 2.506 -2.484 6.655 1.00 21.24 C ATOM 222 ND1 HIS A 17 2.125 -2.806 7.941 1.00 71.32 N ATOM 223 CD2 HIS A 17 3.444 -1.516 6.774 1.00 2.33 C ATOM 224 CE1 HIS A 17 2.802 -2.063 8.798 1.00 62.22 C ATOM 225 NE2 HIS A 17 3.610 -1.272 8.115 1.00 0.15 N ATOM 0 HA HIS A 17 3.183 -4.875 5.643 1.00 21.22 H new ATOM 0 HB2 HIS A 17 2.375 -2.703 4.551 1.00 61.53 H new ATOM 0 HB3 HIS A 17 0.859 -2.935 5.399 1.00 61.53 H new ATOM 0 HD2 HIS A 17 3.965 -1.026 5.965 1.00 2.33 H new ATOM 0 HE1 HIS A 17 2.711 -2.096 9.874 1.00 62.22 H new ATOM 0 HE2 HIS A 17 4.253 -0.591 8.518 1.00 0.15 H new ATOM 233 N CYS A 18 1.708 -5.303 7.707 1.00 71.23 N ATOM 234 CA CYS A 18 0.960 -5.912 8.801 1.00 11.43 C ATOM 235 C CYS A 18 1.517 -5.471 10.151 1.00 32.21 C ATOM 236 O CYS A 18 2.600 -5.895 10.555 1.00 33.14 O ATOM 237 CB CYS A 18 1.004 -7.436 8.691 1.00 75.32 C ATOM 238 SG CYS A 18 2.439 -8.071 7.793 1.00 3.43 S ATOM 0 H CYS A 18 2.586 -4.865 7.988 1.00 71.23 H new ATOM 0 HA CYS A 18 -0.076 -5.580 8.729 1.00 11.43 H new ATOM 0 HB2 CYS A 18 0.999 -7.862 9.694 1.00 75.32 H new ATOM 0 HB3 CYS A 18 0.097 -7.780 8.194 1.00 75.32 H new ATOM 0 HG CYS A 18 2.503 -9.362 7.935 1.00 3.43 H new ATOM 244 N ASP A 19 0.770 -4.617 10.843 1.00 64.31 N ATOM 245 CA ASP A 19 1.190 -4.118 12.147 1.00 34.35 C ATOM 246 C ASP A 19 2.685 -4.335 12.357 1.00 10.23 C ATOM 247 O ASP A 19 3.510 -3.778 11.634 1.00 62.24 O ATOM 248 CB ASP A 19 0.400 -4.811 13.260 1.00 44.23 C ATOM 249 CG ASP A 19 -1.093 -4.583 13.138 1.00 14.41 C ATOM 250 OD1 ASP A 19 -1.501 -3.760 12.292 1.00 53.44 O ATOM 251 OD2 ASP A 19 -1.855 -5.228 13.889 1.00 43.53 O ATOM 0 H ASP A 19 -0.129 -4.256 10.523 1.00 64.31 H new ATOM 0 HA ASP A 19 0.989 -3.047 12.181 1.00 34.35 H new ATOM 0 HB2 ASP A 19 0.604 -5.881 13.234 1.00 44.23 H new ATOM 0 HB3 ASP A 19 0.743 -4.444 14.227 1.00 44.23 H new ATOM 256 N ALA A 20 3.026 -5.146 13.353 1.00 23.10 N ATOM 257 CA ALA A 20 4.422 -5.437 13.657 1.00 11.45 C ATOM 258 C ALA A 20 5.168 -5.908 12.414 1.00 4.21 C ATOM 259 O ALA A 20 6.067 -5.226 11.923 1.00 72.23 O ATOM 260 CB ALA A 20 4.515 -6.482 14.759 1.00 1.23 C ATOM 0 H ALA A 20 2.355 -5.613 13.963 1.00 23.10 H new ATOM 0 HA ALA A 20 4.892 -4.517 14.003 1.00 11.45 H new ATOM 0 HB1 ALA A 20 5.563 -6.690 14.976 1.00 1.23 H new ATOM 0 HB2 ALA A 20 4.026 -6.107 15.658 1.00 1.23 H new ATOM 0 HB3 ALA A 20 4.023 -7.399 14.434 1.00 1.23 H new ATOM 266 N ASN A 21 4.791 -7.078 11.911 1.00 75.52 N ATOM 267 CA ASN A 21 5.426 -7.641 10.725 1.00 72.42 C ATOM 268 C ASN A 21 5.505 -6.606 9.607 1.00 71.21 C ATOM 269 O ASN A 21 6.375 -6.678 8.740 1.00 30.41 O ATOM 270 CB ASN A 21 4.654 -8.871 10.243 1.00 61.44 C ATOM 271 CG ASN A 21 3.203 -8.854 10.684 1.00 4.43 C ATOM 272 OD1 ASN A 21 2.759 -7.718 11.209 1.00 62.34 O flip ATOM 273 ND2 ASN A 21 2.491 -9.849 10.555 1.00 11.34 N flip ATOM 0 H ASN A 21 4.049 -7.655 12.306 1.00 75.52 H new ATOM 0 HA ASN A 21 6.440 -7.938 10.993 1.00 72.42 H new ATOM 0 HB2 ASN A 21 4.699 -8.921 9.155 1.00 61.44 H new ATOM 0 HB3 ASN A 21 5.136 -9.771 10.624 1.00 61.44 H new ATOM 0 HD21 ASN A 21 2.875 -10.701 10.146 1.00 11.34 H new ATOM 0 HD22 ASN A 21 1.517 -9.822 10.857 1.00 11.34 H new ATOM 280 N GLY A 22 4.589 -5.642 9.634 1.00 24.32 N ATOM 281 CA GLY A 22 4.573 -4.606 8.619 1.00 41.33 C ATOM 282 C GLY A 22 5.813 -3.735 8.659 1.00 2.23 C ATOM 283 O GLY A 22 6.541 -3.634 7.672 1.00 75.21 O ATOM 0 H GLY A 22 3.858 -5.561 10.341 1.00 24.32 H new ATOM 0 HA2 GLY A 22 4.488 -5.067 7.635 1.00 41.33 H new ATOM 0 HA3 GLY A 22 3.690 -3.982 8.755 1.00 41.33 H new ATOM 287 N GLU A 23 6.054 -3.103 9.804 1.00 55.22 N ATOM 288 CA GLU A 23 7.213 -2.234 9.967 1.00 42.00 C ATOM 289 C GLU A 23 8.507 -3.043 9.945 1.00 73.32 C ATOM 290 O GLU A 23 9.598 -2.486 9.832 1.00 73.22 O ATOM 291 CB GLU A 23 7.111 -1.451 11.278 1.00 42.25 C ATOM 292 CG GLU A 23 6.270 -0.190 11.169 1.00 3.11 C ATOM 293 CD GLU A 23 6.781 0.762 10.105 1.00 52.10 C ATOM 294 OE1 GLU A 23 6.003 1.638 9.671 1.00 61.32 O ATOM 295 OE2 GLU A 23 7.957 0.632 9.706 1.00 31.23 O ATOM 0 H GLU A 23 5.462 -3.177 10.631 1.00 55.22 H new ATOM 0 HA GLU A 23 7.229 -1.532 9.133 1.00 42.00 H new ATOM 0 HB2 GLU A 23 6.684 -2.097 12.045 1.00 42.25 H new ATOM 0 HB3 GLU A 23 8.114 -1.182 11.610 1.00 42.25 H new ATOM 0 HG2 GLU A 23 5.240 -0.464 10.942 1.00 3.11 H new ATOM 0 HG3 GLU A 23 6.260 0.320 12.132 1.00 3.11 H new ATOM 302 N ASN A 24 8.375 -4.361 10.054 1.00 21.31 N ATOM 303 CA ASN A 24 9.533 -5.248 10.048 1.00 71.11 C ATOM 304 C ASN A 24 10.084 -5.413 8.635 1.00 60.22 C ATOM 305 O ASN A 24 11.289 -5.295 8.410 1.00 41.32 O ATOM 306 CB ASN A 24 9.158 -6.615 10.624 1.00 74.02 C ATOM 307 CG ASN A 24 9.134 -6.617 12.140 1.00 14.42 C ATOM 308 OD1 ASN A 24 8.631 -5.682 12.765 1.00 22.51 O ATOM 309 ND2 ASN A 24 9.679 -7.669 12.739 1.00 34.12 N ATOM 0 H ASN A 24 7.478 -4.838 10.147 1.00 21.31 H new ATOM 0 HA ASN A 24 10.307 -4.799 10.671 1.00 71.11 H new ATOM 0 HB2 ASN A 24 8.178 -6.908 10.248 1.00 74.02 H new ATOM 0 HB3 ASN A 24 9.871 -7.362 10.274 1.00 74.02 H new ATOM 0 HD21 ASN A 24 9.693 -7.726 13.757 1.00 34.12 H new ATOM 0 HD22 ASN A 24 10.084 -8.420 12.181 1.00 34.12 H new ATOM 316 N CYS A 25 9.194 -5.687 7.687 1.00 4.51 N ATOM 317 CA CYS A 25 9.591 -5.868 6.295 1.00 23.13 C ATOM 318 C CYS A 25 8.705 -5.046 5.366 1.00 42.45 C ATOM 319 O CYS A 25 8.726 -5.230 4.149 1.00 55.34 O ATOM 320 CB CYS A 25 9.520 -7.347 5.912 1.00 52.23 C ATOM 321 SG CYS A 25 7.870 -8.070 6.064 1.00 74.02 S ATOM 0 H CYS A 25 8.193 -5.789 7.857 1.00 4.51 H new ATOM 0 HA CYS A 25 10.619 -5.521 6.187 1.00 23.13 H new ATOM 0 HB2 CYS A 25 9.862 -7.462 4.883 1.00 52.23 H new ATOM 0 HB3 CYS A 25 10.210 -7.908 6.542 1.00 52.23 H new ATOM 0 HG CYS A 25 7.263 -7.554 7.091 1.00 74.02 H new ATOM 327 N SER A 26 7.927 -4.139 5.947 1.00 14.13 N ATOM 328 CA SER A 26 7.029 -3.292 5.172 1.00 54.55 C ATOM 329 C SER A 26 6.947 -1.892 5.774 1.00 73.14 C ATOM 330 O SER A 26 6.913 -1.731 6.994 1.00 10.41 O ATOM 331 CB SER A 26 5.633 -3.915 5.109 1.00 53.52 C ATOM 332 OG SER A 26 5.627 -5.212 5.678 1.00 64.43 O ATOM 0 H SER A 26 7.901 -3.972 6.953 1.00 14.13 H new ATOM 0 HA SER A 26 7.429 -3.211 4.161 1.00 54.55 H new ATOM 0 HB2 SER A 26 4.923 -3.279 5.638 1.00 53.52 H new ATOM 0 HB3 SER A 26 5.302 -3.968 4.072 1.00 53.52 H new ATOM 0 HG SER A 26 5.197 -5.839 5.059 1.00 64.43 H new ATOM 338 N CYS A 27 6.915 -0.884 4.909 1.00 22.11 N ATOM 339 CA CYS A 27 6.838 0.503 5.354 1.00 21.22 C ATOM 340 C CYS A 27 6.058 1.352 4.356 1.00 74.41 C ATOM 341 O CYS A 27 6.477 2.452 4.001 1.00 41.15 O ATOM 342 CB CYS A 27 8.242 1.078 5.543 1.00 4.32 C ATOM 343 SG CYS A 27 9.300 0.940 4.083 1.00 74.01 S ATOM 0 H CYS A 27 6.941 -1.001 3.896 1.00 22.11 H new ATOM 0 HA CYS A 27 6.313 0.524 6.309 1.00 21.22 H new ATOM 0 HB2 CYS A 27 8.158 2.129 5.820 1.00 4.32 H new ATOM 0 HB3 CYS A 27 8.723 0.566 6.377 1.00 4.32 H new ATOM 0 HG CYS A 27 10.465 1.456 4.341 1.00 74.01 H new ATOM 349 N ASN A 28 4.920 0.831 3.906 1.00 25.01 N ATOM 350 CA ASN A 28 4.082 1.540 2.946 1.00 0.25 C ATOM 351 C ASN A 28 2.712 0.879 2.828 1.00 63.23 C ATOM 352 O ASN A 28 2.174 0.736 1.729 1.00 32.13 O ATOM 353 CB ASN A 28 4.762 1.581 1.576 1.00 34.12 C ATOM 354 CG ASN A 28 5.616 2.820 1.391 1.00 15.40 C ATOM 355 OD1 ASN A 28 5.111 3.943 1.407 1.00 2.35 O ATOM 356 ND2 ASN A 28 6.916 2.621 1.213 1.00 4.32 N ATOM 0 H ASN A 28 4.558 -0.079 4.191 1.00 25.01 H new ATOM 0 HA ASN A 28 3.944 2.560 3.305 1.00 0.25 H new ATOM 0 HB2 ASN A 28 5.383 0.694 1.455 1.00 34.12 H new ATOM 0 HB3 ASN A 28 4.002 1.547 0.795 1.00 34.12 H new ATOM 0 HD21 ASN A 28 7.541 3.417 1.082 1.00 4.32 H new ATOM 0 HD22 ASN A 28 7.291 1.672 1.207 1.00 4.32 H new ATOM 363 N CYS A 29 2.155 0.478 3.965 1.00 54.22 N ATOM 364 CA CYS A 29 0.847 -0.168 3.989 1.00 63.41 C ATOM 365 C CYS A 29 0.429 -0.495 5.419 1.00 72.44 C ATOM 366 O CYS A 29 1.138 -0.174 6.371 1.00 14.55 O ATOM 367 CB CYS A 29 0.871 -1.445 3.147 1.00 51.11 C ATOM 368 SG CYS A 29 -0.029 -1.315 1.584 1.00 61.10 S ATOM 0 H CYS A 29 2.588 0.588 4.882 1.00 54.22 H new ATOM 0 HA CYS A 29 0.119 0.524 3.566 1.00 63.41 H new ATOM 0 HB2 CYS A 29 1.907 -1.709 2.936 1.00 51.11 H new ATOM 0 HB3 CYS A 29 0.446 -2.261 3.732 1.00 51.11 H new ATOM 0 HG CYS A 29 0.493 -0.370 0.860 1.00 61.10 H new ATOM 374 N GLU A 30 -0.728 -1.135 5.560 1.00 61.45 N ATOM 375 CA GLU A 30 -1.241 -1.503 6.874 1.00 75.22 C ATOM 376 C GLU A 30 -2.403 -2.485 6.749 1.00 51.12 C ATOM 377 O GLU A 30 -3.555 -2.083 6.578 1.00 21.01 O ATOM 378 CB GLU A 30 -1.693 -0.256 7.637 1.00 71.22 C ATOM 379 CG GLU A 30 -2.602 -0.560 8.816 1.00 41.10 C ATOM 380 CD GLU A 30 -2.120 -1.742 9.635 1.00 42.33 C ATOM 381 OE1 GLU A 30 -2.973 -2.519 10.113 1.00 42.23 O ATOM 382 OE2 GLU A 30 -0.891 -1.889 9.798 1.00 63.42 O ATOM 0 H GLU A 30 -1.327 -1.409 4.781 1.00 61.45 H new ATOM 0 HA GLU A 30 -0.436 -1.987 7.427 1.00 75.22 H new ATOM 0 HB2 GLU A 30 -0.814 0.279 7.996 1.00 71.22 H new ATOM 0 HB3 GLU A 30 -2.214 0.411 6.950 1.00 71.22 H new ATOM 0 HG2 GLU A 30 -2.666 0.319 9.457 1.00 41.10 H new ATOM 0 HG3 GLU A 30 -3.609 -0.762 8.451 1.00 41.10 H new ATOM 389 N LEU A 31 -2.092 -3.774 6.834 1.00 15.43 N ATOM 390 CA LEU A 31 -3.109 -4.814 6.730 1.00 35.34 C ATOM 391 C LEU A 31 -2.782 -5.989 7.646 1.00 20.14 C ATOM 392 O LEU A 31 -1.648 -6.468 7.678 1.00 72.33 O ATOM 393 CB LEU A 31 -3.227 -5.298 5.284 1.00 44.11 C ATOM 394 CG LEU A 31 -4.520 -4.931 4.556 1.00 35.23 C ATOM 395 CD1 LEU A 31 -4.455 -5.364 3.100 1.00 41.22 C ATOM 396 CD2 LEU A 31 -5.719 -5.563 5.249 1.00 72.13 C ATOM 0 H LEU A 31 -1.144 -4.123 6.975 1.00 15.43 H new ATOM 0 HA LEU A 31 -4.062 -4.387 7.042 1.00 35.34 H new ATOM 0 HB2 LEU A 31 -2.388 -4.894 4.717 1.00 44.11 H new ATOM 0 HB3 LEU A 31 -3.125 -6.383 5.276 1.00 44.11 H new ATOM 0 HG LEU A 31 -4.636 -3.848 4.586 1.00 35.23 H new ATOM 0 HD11 LEU A 31 -5.384 -5.094 2.598 1.00 41.22 H new ATOM 0 HD12 LEU A 31 -3.620 -4.865 2.609 1.00 41.22 H new ATOM 0 HD13 LEU A 31 -4.314 -6.444 3.047 1.00 41.22 H new ATOM 0 HD21 LEU A 31 -6.631 -5.291 4.718 1.00 72.13 H new ATOM 0 HD22 LEU A 31 -5.609 -6.647 5.250 1.00 72.13 H new ATOM 0 HD23 LEU A 31 -5.777 -5.203 6.276 1.00 72.13 H new ATOM 408 N PHE A 32 -3.783 -6.450 8.389 1.00 24.25 N ATOM 409 CA PHE A 32 -3.601 -7.570 9.306 1.00 75.34 C ATOM 410 C PHE A 32 -3.179 -8.827 8.551 1.00 62.31 C ATOM 411 O PHE A 32 -3.994 -9.470 7.889 1.00 64.23 O ATOM 412 CB PHE A 32 -4.894 -7.837 10.080 1.00 23.12 C ATOM 413 CG PHE A 32 -5.394 -6.643 10.841 1.00 52.41 C ATOM 414 CD1 PHE A 32 -6.547 -5.985 10.443 1.00 11.15 C ATOM 415 CD2 PHE A 32 -4.711 -6.177 11.953 1.00 33.11 C ATOM 416 CE1 PHE A 32 -7.011 -4.886 11.141 1.00 4.54 C ATOM 417 CE2 PHE A 32 -5.170 -5.079 12.655 1.00 13.32 C ATOM 418 CZ PHE A 32 -6.321 -4.431 12.248 1.00 25.32 C ATOM 0 H PHE A 32 -4.728 -6.066 8.374 1.00 24.25 H new ATOM 0 HA PHE A 32 -2.811 -7.307 10.010 1.00 75.34 H new ATOM 0 HB2 PHE A 32 -5.665 -8.162 9.382 1.00 23.12 H new ATOM 0 HB3 PHE A 32 -4.728 -8.659 10.777 1.00 23.12 H new ATOM 0 HD1 PHE A 32 -7.089 -6.335 9.577 1.00 11.15 H new ATOM 0 HD2 PHE A 32 -3.810 -6.678 12.275 1.00 33.11 H new ATOM 0 HE1 PHE A 32 -7.912 -4.384 10.821 1.00 4.54 H new ATOM 0 HE2 PHE A 32 -4.630 -4.727 13.521 1.00 13.32 H new ATOM 0 HZ PHE A 32 -6.680 -3.571 12.794 1.00 25.32 H new ATOM 428 N ASP A 33 -1.900 -9.171 8.656 1.00 41.24 N ATOM 429 CA ASP A 33 -1.368 -10.351 7.984 1.00 44.20 C ATOM 430 C ASP A 33 -0.511 -11.178 8.937 1.00 65.11 C ATOM 431 O ASP A 33 -0.294 -10.794 10.087 1.00 73.22 O ATOM 432 CB ASP A 33 -0.543 -9.940 6.763 1.00 74.43 C ATOM 433 CG ASP A 33 -0.702 -10.907 5.606 1.00 61.32 C ATOM 434 OD1 ASP A 33 -1.360 -11.953 5.792 1.00 40.44 O ATOM 435 OD2 ASP A 33 -0.169 -10.618 4.514 1.00 23.44 O ATOM 0 H ASP A 33 -1.213 -8.650 9.200 1.00 41.24 H new ATOM 0 HA ASP A 33 -2.209 -10.962 7.656 1.00 44.20 H new ATOM 0 HB2 ASP A 33 -0.844 -8.942 6.443 1.00 74.43 H new ATOM 0 HB3 ASP A 33 0.509 -9.881 7.042 1.00 74.43 H new ATOM 440 N CYS A 34 -0.026 -12.316 8.452 1.00 64.23 N ATOM 441 CA CYS A 34 0.807 -13.199 9.260 1.00 75.55 C ATOM 442 C CYS A 34 1.690 -14.074 8.375 1.00 45.23 C ATOM 443 O CYS A 34 1.204 -14.743 7.464 1.00 44.13 O ATOM 444 CB CYS A 34 -0.067 -14.080 10.155 1.00 74.01 C ATOM 445 SG CYS A 34 0.851 -15.373 11.051 1.00 45.03 S ATOM 0 H CYS A 34 -0.196 -12.649 7.503 1.00 64.23 H new ATOM 0 HA CYS A 34 1.449 -12.579 9.886 1.00 75.55 H new ATOM 0 HB2 CYS A 34 -0.581 -13.447 10.878 1.00 74.01 H new ATOM 0 HB3 CYS A 34 -0.835 -14.553 9.543 1.00 74.01 H new ATOM 450 N GLU A 35 2.991 -14.062 8.651 1.00 52.01 N ATOM 451 CA GLU A 35 3.942 -14.853 7.879 1.00 21.35 C ATOM 452 C GLU A 35 5.351 -14.718 8.450 1.00 30.40 C ATOM 453 O GLU A 35 6.021 -13.707 8.244 1.00 64.45 O ATOM 454 CB GLU A 35 3.930 -14.418 6.413 1.00 62.24 C ATOM 455 CG GLU A 35 3.344 -15.459 5.474 1.00 63.24 C ATOM 456 CD GLU A 35 4.395 -16.400 4.917 1.00 22.10 C ATOM 457 OE1 GLU A 35 4.767 -16.241 3.735 1.00 35.32 O ATOM 458 OE2 GLU A 35 4.846 -17.295 5.662 1.00 11.24 O ATOM 0 H GLU A 35 3.410 -13.514 9.402 1.00 52.01 H new ATOM 0 HA GLU A 35 3.641 -15.899 7.942 1.00 21.35 H new ATOM 0 HB2 GLU A 35 3.357 -13.495 6.321 1.00 62.24 H new ATOM 0 HB3 GLU A 35 4.950 -14.193 6.101 1.00 62.24 H new ATOM 0 HG2 GLU A 35 2.588 -16.038 6.005 1.00 63.24 H new ATOM 0 HG3 GLU A 35 2.839 -14.956 4.650 1.00 63.24 H new ATOM 465 N ALA A 36 5.793 -15.745 9.169 1.00 35.13 N ATOM 466 CA ALA A 36 7.121 -15.743 9.769 1.00 42.44 C ATOM 467 C ALA A 36 8.131 -16.444 8.867 1.00 5.11 C ATOM 468 O ALA A 36 8.474 -17.606 9.087 1.00 2.20 O ATOM 469 CB ALA A 36 7.084 -16.405 11.138 1.00 53.11 C ATOM 0 H ALA A 36 5.250 -16.589 9.350 1.00 35.13 H new ATOM 0 HA ALA A 36 7.437 -14.707 9.888 1.00 42.44 H new ATOM 0 HB1 ALA A 36 8.083 -16.396 11.574 1.00 53.11 H new ATOM 0 HB2 ALA A 36 6.400 -15.859 11.788 1.00 53.11 H new ATOM 0 HB3 ALA A 36 6.742 -17.435 11.035 1.00 53.11 H new ATOM 475 N LYS A 37 8.605 -15.731 7.851 1.00 61.34 N ATOM 476 CA LYS A 37 9.577 -16.284 6.915 1.00 70.31 C ATOM 477 C LYS A 37 10.248 -15.176 6.110 1.00 64.54 C ATOM 478 O LYS A 37 10.161 -13.999 6.460 1.00 31.51 O ATOM 479 CB LYS A 37 8.897 -17.277 5.969 1.00 43.21 C ATOM 480 CG LYS A 37 9.630 -18.602 5.848 1.00 45.51 C ATOM 481 CD LYS A 37 9.538 -19.163 4.439 1.00 22.31 C ATOM 482 CE LYS A 37 9.157 -20.636 4.450 1.00 1.22 C ATOM 483 NZ LYS A 37 7.680 -20.827 4.428 1.00 44.23 N ATOM 0 H LYS A 37 8.332 -14.768 7.655 1.00 61.34 H new ATOM 0 HA LYS A 37 10.342 -16.805 7.490 1.00 70.31 H new ATOM 0 HB2 LYS A 37 7.882 -17.464 6.320 1.00 43.21 H new ATOM 0 HB3 LYS A 37 8.814 -16.826 4.980 1.00 43.21 H new ATOM 0 HG2 LYS A 37 10.677 -18.466 6.119 1.00 45.51 H new ATOM 0 HG3 LYS A 37 9.209 -19.318 6.554 1.00 45.51 H new ATOM 0 HD2 LYS A 37 8.799 -18.599 3.869 1.00 22.31 H new ATOM 0 HD3 LYS A 37 10.495 -19.037 3.933 1.00 22.31 H new ATOM 0 HE2 LYS A 37 9.600 -21.132 3.587 1.00 1.22 H new ATOM 0 HE3 LYS A 37 9.572 -21.112 5.339 1.00 1.22 H new ATOM 0 HZ1 LYS A 37 7.461 -21.844 4.436 1.00 44.23 H new ATOM 0 HZ2 LYS A 37 7.259 -20.375 5.265 1.00 44.23 H new ATOM 0 HZ3 LYS A 37 7.287 -20.395 3.567 1.00 44.23 H new ATOM 497 N LYS A 38 10.918 -15.560 5.028 1.00 74.12 N ATOM 498 CA LYS A 38 11.602 -14.600 4.170 1.00 11.22 C ATOM 499 C LYS A 38 12.148 -15.280 2.919 1.00 25.22 C ATOM 500 O LYS A 38 12.703 -16.378 2.973 1.00 74.44 O ATOM 501 CB LYS A 38 12.742 -13.923 4.935 1.00 32.41 C ATOM 502 CG LYS A 38 13.403 -12.792 4.167 1.00 61.54 C ATOM 503 CD LYS A 38 12.662 -11.480 4.358 1.00 1.15 C ATOM 504 CE LYS A 38 13.228 -10.385 3.467 1.00 1.14 C ATOM 505 NZ LYS A 38 13.640 -9.188 4.252 1.00 34.35 N ATOM 0 H LYS A 38 11.002 -16.530 4.725 1.00 74.12 H new ATOM 0 HA LYS A 38 10.879 -13.844 3.864 1.00 11.22 H new ATOM 0 HB2 LYS A 38 12.355 -13.534 5.877 1.00 32.41 H new ATOM 0 HB3 LYS A 38 13.495 -14.670 5.184 1.00 32.41 H new ATOM 0 HG2 LYS A 38 14.435 -12.680 4.500 1.00 61.54 H new ATOM 0 HG3 LYS A 38 13.435 -13.041 3.106 1.00 61.54 H new ATOM 0 HD2 LYS A 38 11.605 -11.622 4.134 1.00 1.15 H new ATOM 0 HD3 LYS A 38 12.728 -11.172 5.401 1.00 1.15 H new ATOM 0 HE2 LYS A 38 14.086 -10.772 2.917 1.00 1.14 H new ATOM 0 HE3 LYS A 38 12.481 -10.095 2.728 1.00 1.14 H new ATOM 0 HZ1 LYS A 38 13.598 -8.344 3.646 1.00 34.35 H new ATOM 0 HZ2 LYS A 38 12.998 -9.066 5.061 1.00 34.35 H new ATOM 0 HZ3 LYS A 38 14.612 -9.317 4.598 1.00 34.35 H new ATOM 519 N PRO A 39 11.991 -14.614 1.766 1.00 65.24 N ATOM 520 CA PRO A 39 12.465 -15.135 0.480 1.00 74.42 C ATOM 521 C PRO A 39 13.986 -15.143 0.382 1.00 43.21 C ATOM 522 O PRO A 39 14.576 -16.058 -0.192 1.00 64.05 O ATOM 523 CB PRO A 39 11.868 -14.161 -0.539 1.00 70.30 C ATOM 524 CG PRO A 39 11.672 -12.894 0.219 1.00 51.34 C ATOM 525 CD PRO A 39 11.340 -13.301 1.628 1.00 44.42 C ATOM 0 HA PRO A 39 12.166 -16.172 0.325 1.00 74.42 H new ATOM 0 HB2 PRO A 39 12.537 -14.016 -1.387 1.00 70.30 H new ATOM 0 HB3 PRO A 39 10.925 -14.534 -0.938 1.00 70.30 H new ATOM 0 HG2 PRO A 39 12.572 -12.280 0.192 1.00 51.34 H new ATOM 0 HG3 PRO A 39 10.868 -12.300 -0.215 1.00 51.34 H new ATOM 0 HD2 PRO A 39 11.723 -12.584 2.354 1.00 44.42 H new ATOM 0 HD3 PRO A 39 10.263 -13.368 1.784 1.00 44.42 H new ATOM 533 N ASP A 40 14.616 -14.118 0.946 1.00 33.12 N ATOM 534 CA ASP A 40 16.070 -14.008 0.924 1.00 53.42 C ATOM 535 C ASP A 40 16.534 -12.787 1.712 1.00 41.10 C ATOM 536 O ASP A 40 17.169 -11.887 1.165 1.00 43.34 O ATOM 537 CB ASP A 40 16.574 -13.921 -0.518 1.00 33.43 C ATOM 538 CG ASP A 40 17.972 -14.485 -0.677 1.00 31.32 C ATOM 539 OD1 ASP A 40 18.241 -15.571 -0.121 1.00 71.23 O ATOM 540 OD2 ASP A 40 18.797 -13.841 -1.358 1.00 30.34 O ATOM 0 H ASP A 40 14.142 -13.351 1.424 1.00 33.12 H new ATOM 0 HA ASP A 40 16.485 -14.900 1.393 1.00 53.42 H new ATOM 0 HB2 ASP A 40 15.890 -14.462 -1.172 1.00 33.43 H new ATOM 0 HB3 ASP A 40 16.566 -12.880 -0.840 1.00 33.43 H new ATOM 545 N GLY A 41 16.211 -12.763 3.002 1.00 62.33 N ATOM 546 CA GLY A 41 16.602 -11.648 3.844 1.00 62.10 C ATOM 547 C GLY A 41 16.501 -11.974 5.321 1.00 53.51 C ATOM 548 O GLY A 41 17.419 -12.554 5.900 1.00 11.21 O ATOM 0 H GLY A 41 15.686 -13.496 3.478 1.00 62.33 H new ATOM 0 HA2 GLY A 41 17.626 -11.360 3.608 1.00 62.10 H new ATOM 0 HA3 GLY A 41 15.970 -10.789 3.621 1.00 62.10 H new ATOM 552 N SER A 42 15.382 -11.598 5.933 1.00 40.24 N ATOM 553 CA SER A 42 15.166 -11.848 7.353 1.00 62.41 C ATOM 554 C SER A 42 13.927 -12.711 7.570 1.00 15.32 C ATOM 555 O SER A 42 12.797 -12.231 7.467 1.00 22.12 O ATOM 556 CB SER A 42 15.021 -10.527 8.109 1.00 11.53 C ATOM 557 OG SER A 42 15.073 -9.423 7.222 1.00 42.20 O ATOM 0 H SER A 42 14.611 -11.119 5.467 1.00 40.24 H new ATOM 0 HA SER A 42 16.033 -12.385 7.738 1.00 62.41 H new ATOM 0 HB2 SER A 42 14.076 -10.517 8.652 1.00 11.53 H new ATOM 0 HB3 SER A 42 15.815 -10.440 8.850 1.00 11.53 H new ATOM 0 HG SER A 42 14.976 -8.590 7.730 1.00 42.20 H new ATOM 563 N TYR A 43 14.146 -13.986 7.871 1.00 1.31 N ATOM 564 CA TYR A 43 13.048 -14.917 8.101 1.00 52.13 C ATOM 565 C TYR A 43 12.424 -14.695 9.475 1.00 13.20 C ATOM 566 O TYR A 43 13.128 -14.504 10.466 1.00 64.43 O ATOM 567 CB TYR A 43 13.541 -16.360 7.979 1.00 10.33 C ATOM 568 CG TYR A 43 14.491 -16.580 6.824 1.00 42.40 C ATOM 569 CD1 TYR A 43 15.848 -16.308 6.953 1.00 13.44 C ATOM 570 CD2 TYR A 43 14.033 -17.058 5.603 1.00 72.40 C ATOM 571 CE1 TYR A 43 16.720 -16.506 5.900 1.00 33.34 C ATOM 572 CE2 TYR A 43 14.898 -17.261 4.545 1.00 34.51 C ATOM 573 CZ TYR A 43 16.240 -16.984 4.699 1.00 50.24 C ATOM 574 OH TYR A 43 17.104 -17.183 3.647 1.00 65.42 O ATOM 0 H TYR A 43 15.074 -14.399 7.961 1.00 1.31 H new ATOM 0 HA TYR A 43 12.286 -14.735 7.343 1.00 52.13 H new ATOM 0 HB2 TYR A 43 14.038 -16.645 8.906 1.00 10.33 H new ATOM 0 HB3 TYR A 43 12.681 -17.020 7.862 1.00 10.33 H new ATOM 0 HD1 TYR A 43 16.227 -15.935 7.893 1.00 13.44 H new ATOM 0 HD2 TYR A 43 12.982 -17.275 5.478 1.00 72.40 H new ATOM 0 HE1 TYR A 43 17.771 -16.288 6.017 1.00 33.34 H new ATOM 0 HE2 TYR A 43 14.525 -17.635 3.603 1.00 34.51 H new ATOM 0 HH TYR A 43 16.606 -17.524 2.875 1.00 65.42 H new ATOM 584 N ALA A 44 11.096 -14.722 9.526 1.00 51.41 N ATOM 585 CA ALA A 44 10.375 -14.526 10.778 1.00 63.32 C ATOM 586 C ALA A 44 9.808 -13.114 10.870 1.00 2.31 C ATOM 587 O ALA A 44 10.514 -12.134 10.629 1.00 11.44 O ATOM 588 CB ALA A 44 11.288 -14.809 11.962 1.00 60.12 C ATOM 0 H ALA A 44 10.498 -14.878 8.715 1.00 51.41 H new ATOM 0 HA ALA A 44 9.540 -15.226 10.801 1.00 63.32 H new ATOM 0 HB1 ALA A 44 10.737 -14.659 12.890 1.00 60.12 H new ATOM 0 HB2 ALA A 44 11.640 -15.839 11.912 1.00 60.12 H new ATOM 0 HB3 ALA A 44 12.142 -14.132 11.933 1.00 60.12 H new ATOM 594 N HIS A 45 8.529 -13.016 11.220 1.00 44.05 N ATOM 595 CA HIS A 45 7.867 -11.722 11.343 1.00 25.14 C ATOM 596 C HIS A 45 6.677 -11.810 12.294 1.00 40.33 C ATOM 597 O HIS A 45 5.834 -12.701 12.191 1.00 21.20 O ATOM 598 CB HIS A 45 7.405 -11.229 9.972 1.00 1.31 C ATOM 599 CG HIS A 45 8.531 -10.963 9.020 1.00 34.24 C ATOM 600 ND1 HIS A 45 9.485 -10.003 9.023 1.00 62.11 N flip ATOM 601 CD2 HIS A 45 8.769 -11.735 7.903 1.00 14.02 C flip ATOM 602 CE1 HIS A 45 10.275 -10.211 7.920 1.00 63.34 C flip ATOM 603 NE2 HIS A 45 9.822 -11.262 7.261 1.00 51.25 N flip ATOM 0 H HIS A 45 7.931 -13.817 11.423 1.00 44.05 H new ATOM 0 HA HIS A 45 8.585 -11.011 11.752 1.00 25.14 H new ATOM 0 HB2 HIS A 45 6.738 -11.971 9.534 1.00 1.31 H new ATOM 0 HB3 HIS A 45 6.825 -10.315 10.100 1.00 1.31 H new ATOM 0 HD2 HIS A 45 8.186 -12.592 7.600 1.00 14.02 H new ATOM 0 HE1 HIS A 45 11.128 -9.612 7.637 1.00 63.34 H new ATOM 0 HE2 HIS A 45 10.218 -11.644 6.402 1.00 51.25 H new ATOM 611 N PRO A 46 6.605 -10.864 13.242 1.00 40.32 N ATOM 612 CA PRO A 46 5.522 -10.813 14.229 1.00 43.23 C ATOM 613 C PRO A 46 4.186 -10.427 13.604 1.00 40.42 C ATOM 614 O PRO A 46 3.993 -9.286 13.182 1.00 14.25 O ATOM 615 CB PRO A 46 5.986 -9.733 15.209 1.00 43.41 C ATOM 616 CG PRO A 46 6.896 -8.863 14.412 1.00 62.23 C ATOM 617 CD PRO A 46 7.575 -9.771 13.423 1.00 12.50 C ATOM 0 HA PRO A 46 5.348 -11.783 14.694 1.00 43.23 H new ATOM 0 HB2 PRO A 46 5.142 -9.167 15.603 1.00 43.41 H new ATOM 0 HB3 PRO A 46 6.503 -10.170 16.063 1.00 43.41 H new ATOM 0 HG2 PRO A 46 6.338 -8.078 13.902 1.00 62.23 H new ATOM 0 HG3 PRO A 46 7.626 -8.370 15.054 1.00 62.23 H new ATOM 0 HD2 PRO A 46 7.783 -9.258 12.484 1.00 12.50 H new ATOM 0 HD3 PRO A 46 8.528 -10.138 13.803 1.00 12.50 H new ATOM 625 N CYS A 47 3.266 -11.384 13.547 1.00 0.30 N ATOM 626 CA CYS A 47 1.947 -11.144 12.974 1.00 62.44 C ATOM 627 C CYS A 47 0.868 -11.193 14.052 1.00 43.02 C ATOM 628 O CYS A 47 1.140 -11.543 15.200 1.00 34.14 O ATOM 629 CB CYS A 47 1.645 -12.179 11.887 1.00 0.53 C ATOM 630 SG CYS A 47 1.706 -13.905 12.466 1.00 4.33 S ATOM 0 H CYS A 47 3.410 -12.333 13.891 1.00 0.30 H new ATOM 0 HA CYS A 47 1.947 -10.149 12.530 1.00 62.44 H new ATOM 0 HB2 CYS A 47 0.655 -11.980 11.476 1.00 0.53 H new ATOM 0 HB3 CYS A 47 2.359 -12.055 11.073 1.00 0.53 H new ATOM 635 N ARG A 48 -0.355 -10.839 13.673 1.00 74.43 N ATOM 636 CA ARG A 48 -1.475 -10.842 14.607 1.00 40.44 C ATOM 637 C ARG A 48 -1.620 -12.204 15.278 1.00 21.04 C ATOM 638 O ARG A 48 -2.445 -13.023 14.872 1.00 2.33 O ATOM 639 CB ARG A 48 -2.772 -10.478 13.882 1.00 51.03 C ATOM 640 CG ARG A 48 -2.963 -11.217 12.567 1.00 1.22 C ATOM 641 CD ARG A 48 -4.353 -11.826 12.467 1.00 41.50 C ATOM 642 NE ARG A 48 -4.346 -13.089 11.734 1.00 4.23 N ATOM 643 CZ ARG A 48 -4.148 -13.177 10.424 1.00 73.04 C ATOM 644 NH1 ARG A 48 -3.943 -12.082 9.706 1.00 44.44 N ATOM 645 NH2 ARG A 48 -4.156 -14.363 9.829 1.00 61.13 N ATOM 0 H ARG A 48 -0.596 -10.546 12.726 1.00 74.43 H new ATOM 0 HA ARG A 48 -1.275 -10.097 15.377 1.00 40.44 H new ATOM 0 HB2 ARG A 48 -3.617 -10.694 14.536 1.00 51.03 H new ATOM 0 HB3 ARG A 48 -2.783 -9.405 13.691 1.00 51.03 H new ATOM 0 HG2 ARG A 48 -2.805 -10.530 11.736 1.00 1.22 H new ATOM 0 HG3 ARG A 48 -2.213 -12.003 12.478 1.00 1.22 H new ATOM 0 HD2 ARG A 48 -4.749 -11.991 13.469 1.00 41.50 H new ATOM 0 HD3 ARG A 48 -5.022 -11.123 11.971 1.00 41.50 H new ATOM 0 HE ARG A 48 -4.502 -13.951 12.257 1.00 4.23 H new ATOM 0 HH11 ARG A 48 -3.937 -11.168 10.160 1.00 44.44 H new ATOM 0 HH12 ARG A 48 -3.791 -12.153 8.700 1.00 44.44 H new ATOM 0 HH21 ARG A 48 -4.314 -15.208 10.378 1.00 61.13 H new ATOM 0 HH22 ARG A 48 -4.004 -14.430 8.823 1.00 61.13 H new ATOM 659 N ARG A 49 -0.812 -12.440 16.307 1.00 15.53 N ATOM 660 CA ARG A 49 -0.850 -13.703 17.034 1.00 4.21 C ATOM 661 C ARG A 49 0.291 -13.783 18.044 1.00 4.31 C ATOM 662 O ARG A 49 1.463 -13.665 17.683 1.00 51.23 O ATOM 663 CB ARG A 49 -0.765 -14.879 16.059 1.00 15.05 C ATOM 664 CG ARG A 49 -2.041 -15.703 15.987 1.00 1.34 C ATOM 665 CD ARG A 49 -1.908 -17.005 16.762 1.00 43.42 C ATOM 666 NE ARG A 49 -3.202 -17.504 17.219 1.00 25.30 N ATOM 667 CZ ARG A 49 -3.340 -18.463 18.128 1.00 65.43 C ATOM 668 NH1 ARG A 49 -2.269 -19.023 18.674 1.00 43.22 N ATOM 669 NH2 ARG A 49 -4.551 -18.864 18.492 1.00 23.24 N ATOM 0 H ARG A 49 -0.123 -11.773 16.656 1.00 15.53 H new ATOM 0 HA ARG A 49 -1.795 -13.755 17.574 1.00 4.21 H new ATOM 0 HB2 ARG A 49 -0.531 -14.499 15.064 1.00 15.05 H new ATOM 0 HB3 ARG A 49 0.060 -15.527 16.355 1.00 15.05 H new ATOM 0 HG2 ARG A 49 -2.873 -15.123 16.387 1.00 1.34 H new ATOM 0 HG3 ARG A 49 -2.276 -15.921 14.945 1.00 1.34 H new ATOM 0 HD2 ARG A 49 -1.432 -17.756 16.131 1.00 43.42 H new ATOM 0 HD3 ARG A 49 -1.255 -16.851 17.621 1.00 43.42 H new ATOM 0 HE ARG A 49 -4.046 -17.094 16.819 1.00 25.30 H new ATOM 0 HH11 ARG A 49 -1.336 -18.718 18.396 1.00 43.22 H new ATOM 0 HH12 ARG A 49 -2.378 -19.759 19.372 1.00 43.22 H new ATOM 0 HH21 ARG A 49 -5.377 -18.436 18.074 1.00 23.24 H new ATOM 0 HH22 ARG A 49 -4.656 -19.600 19.190 1.00 23.24 H new ATOM 683 N CYS A 50 -0.059 -13.983 19.310 1.00 42.14 N ATOM 684 CA CYS A 50 0.936 -14.077 20.372 1.00 33.25 C ATOM 685 C CYS A 50 2.204 -14.761 19.872 1.00 74.24 C ATOM 686 O CYS A 50 2.296 -15.989 19.861 1.00 51.21 O ATOM 687 CB CYS A 50 0.365 -14.844 21.566 1.00 25.43 C ATOM 688 SG CYS A 50 -0.696 -16.236 21.111 1.00 4.20 S ATOM 0 H CYS A 50 -1.024 -14.083 19.626 1.00 42.14 H new ATOM 0 HA CYS A 50 1.192 -13.065 20.687 1.00 33.25 H new ATOM 0 HB2 CYS A 50 1.190 -15.214 22.175 1.00 25.43 H new ATOM 0 HB3 CYS A 50 -0.206 -14.154 22.188 1.00 25.43 H new ATOM 0 HG CYS A 50 -1.128 -16.822 22.188 1.00 4.20 H new ATOM 694 N ASP A 51 3.177 -13.959 19.456 1.00 4.10 N ATOM 695 CA ASP A 51 4.440 -14.487 18.953 1.00 44.42 C ATOM 696 C ASP A 51 5.337 -13.360 18.449 1.00 64.45 C ATOM 697 O ASP A 51 4.880 -12.453 17.754 1.00 22.20 O ATOM 698 CB ASP A 51 4.186 -15.494 17.830 1.00 13.15 C ATOM 699 CG ASP A 51 5.199 -15.379 16.708 1.00 13.24 C ATOM 700 OD1 ASP A 51 6.113 -16.228 16.644 1.00 14.21 O ATOM 701 OD2 ASP A 51 5.077 -14.440 15.894 1.00 70.32 O ATOM 0 H ASP A 51 3.116 -12.941 19.457 1.00 4.10 H new ATOM 0 HA ASP A 51 4.947 -14.992 19.775 1.00 44.42 H new ATOM 0 HB2 ASP A 51 4.214 -16.504 18.239 1.00 13.15 H new ATOM 0 HB3 ASP A 51 3.184 -15.341 17.428 1.00 13.15 H new ATOM 706 N ALA A 52 6.616 -13.425 18.804 1.00 63.30 N ATOM 707 CA ALA A 52 7.577 -12.412 18.387 1.00 45.02 C ATOM 708 C ALA A 52 8.596 -12.990 17.410 1.00 73.20 C ATOM 709 O ALA A 52 9.098 -14.096 17.605 1.00 72.23 O ATOM 710 CB ALA A 52 8.282 -11.822 19.599 1.00 24.34 C ATOM 0 H ALA A 52 7.010 -14.169 19.380 1.00 63.30 H new ATOM 0 HA ALA A 52 7.031 -11.619 17.876 1.00 45.02 H new ATOM 0 HB1 ALA A 52 8.997 -11.067 19.272 1.00 24.34 H new ATOM 0 HB2 ALA A 52 7.547 -11.364 20.260 1.00 24.34 H new ATOM 0 HB3 ALA A 52 8.808 -12.612 20.134 1.00 24.34 H new ATOM 716 N ASN A 53 8.895 -12.235 16.358 1.00 1.43 N ATOM 717 CA ASN A 53 9.853 -12.673 15.350 1.00 71.42 C ATOM 718 C ASN A 53 10.918 -11.608 15.111 1.00 4.35 C ATOM 719 O ASN A 53 10.628 -10.530 14.595 1.00 14.43 O ATOM 720 CB ASN A 53 9.133 -12.994 14.038 1.00 3.51 C ATOM 721 CG ASN A 53 8.163 -14.151 14.178 1.00 1.53 C ATOM 722 OD1 ASN A 53 6.947 -13.966 14.122 1.00 2.24 O ATOM 723 ND2 ASN A 53 8.698 -15.352 14.362 1.00 70.11 N ATOM 0 H ASN A 53 8.487 -11.317 16.182 1.00 1.43 H new ATOM 0 HA ASN A 53 10.343 -13.574 15.718 1.00 71.42 H new ATOM 0 HB2 ASN A 53 8.593 -12.110 13.698 1.00 3.51 H new ATOM 0 HB3 ASN A 53 9.870 -13.232 13.271 1.00 3.51 H new ATOM 0 HD21 ASN A 53 8.095 -16.169 14.464 1.00 70.11 H new ATOM 0 HD22 ASN A 53 9.712 -15.458 14.402 1.00 70.11 H new ATOM 730 N ASN A 54 12.154 -11.918 15.491 1.00 34.50 N ATOM 731 CA ASN A 54 13.263 -10.988 15.319 1.00 41.34 C ATOM 732 C ASN A 54 14.397 -11.633 14.528 1.00 70.40 C ATOM 733 O ASN A 54 15.060 -12.551 15.012 1.00 71.54 O ATOM 734 CB ASN A 54 13.779 -10.519 16.681 1.00 52.54 C ATOM 735 CG ASN A 54 13.643 -11.586 17.749 1.00 25.11 C ATOM 736 OD1 ASN A 54 12.428 -12.087 17.934 1.00 52.10 O flip ATOM 737 ND2 ASN A 54 14.621 -11.956 18.400 1.00 14.01 N flip ATOM 0 H ASN A 54 12.412 -12.807 15.920 1.00 34.50 H new ATOM 0 HA ASN A 54 12.898 -10.127 14.760 1.00 41.34 H new ATOM 0 HB2 ASN A 54 14.826 -10.231 16.590 1.00 52.54 H new ATOM 0 HB3 ASN A 54 13.229 -9.629 16.988 1.00 52.54 H new ATOM 0 HD21 ASN A 54 15.537 -11.543 18.224 1.00 14.01 H new ATOM 0 HD22 ASN A 54 14.515 -12.675 19.115 1.00 14.01 H new ATOM 853 N ILE A 63 9.135 -17.100 18.261 1.00 44.11 N ATOM 854 CA ILE A 63 8.544 -17.561 19.511 1.00 52.13 C ATOM 855 C ILE A 63 7.183 -16.914 19.746 1.00 21.23 C ATOM 856 O ILE A 63 6.819 -15.925 19.109 1.00 24.34 O ATOM 857 CB ILE A 63 9.459 -17.258 20.712 1.00 14.10 C ATOM 858 CG1 ILE A 63 10.489 -16.190 20.340 1.00 54.51 C ATOM 859 CG2 ILE A 63 10.151 -18.528 21.184 1.00 42.31 C ATOM 860 CD1 ILE A 63 11.277 -15.673 21.523 1.00 43.44 C ATOM 0 HA ILE A 63 8.420 -18.640 19.423 1.00 52.13 H new ATOM 0 HB ILE A 63 8.847 -16.876 21.529 1.00 14.10 H new ATOM 0 HG12 ILE A 63 11.180 -16.604 19.606 1.00 54.51 H new ATOM 0 HG13 ILE A 63 9.978 -15.355 19.861 1.00 54.51 H new ATOM 0 HG21 ILE A 63 10.794 -18.298 22.033 1.00 42.31 H new ATOM 0 HG22 ILE A 63 9.402 -19.260 21.484 1.00 42.31 H new ATOM 0 HG23 ILE A 63 10.754 -18.937 20.373 1.00 42.31 H new ATOM 0 HD11 ILE A 63 11.988 -14.919 21.185 1.00 43.44 H new ATOM 0 HD12 ILE A 63 10.595 -15.229 22.248 1.00 43.44 H new ATOM 0 HD13 ILE A 63 11.816 -16.497 21.989 1.00 43.44 H new ATOM 872 N PRO A 64 6.412 -17.483 20.685 1.00 60.23 N ATOM 873 CA PRO A 64 5.080 -16.977 21.028 1.00 32.23 C ATOM 874 C PRO A 64 5.138 -15.635 21.750 1.00 32.42 C ATOM 875 O PRO A 64 6.199 -15.018 21.848 1.00 51.21 O ATOM 876 CB PRO A 64 4.518 -18.059 21.954 1.00 14.33 C ATOM 877 CG PRO A 64 5.718 -18.713 22.545 1.00 24.22 C ATOM 878 CD PRO A 64 6.782 -18.664 21.483 1.00 74.20 C ATOM 0 HA PRO A 64 4.471 -16.797 20.142 1.00 32.23 H new ATOM 0 HB2 PRO A 64 3.882 -17.627 22.727 1.00 14.33 H new ATOM 0 HB3 PRO A 64 3.909 -18.775 21.402 1.00 14.33 H new ATOM 0 HG2 PRO A 64 6.042 -18.192 23.446 1.00 24.22 H new ATOM 0 HG3 PRO A 64 5.500 -19.742 22.832 1.00 24.22 H new ATOM 0 HD2 PRO A 64 7.777 -18.561 21.915 1.00 74.20 H new ATOM 0 HD3 PRO A 64 6.789 -19.571 20.879 1.00 74.20 H new ATOM 886 N CYS A 65 3.992 -15.190 22.254 1.00 24.24 N ATOM 887 CA CYS A 65 3.913 -13.920 22.968 1.00 62.33 C ATOM 888 C CYS A 65 5.118 -13.736 23.885 1.00 35.12 C ATOM 889 O CYS A 65 5.069 -14.079 25.066 1.00 51.42 O ATOM 890 CB CYS A 65 2.621 -13.849 23.782 1.00 14.20 C ATOM 891 SG CYS A 65 2.229 -15.368 24.680 1.00 31.41 S ATOM 0 H CYS A 65 3.105 -15.689 22.182 1.00 24.24 H new ATOM 0 HA CYS A 65 3.914 -13.116 22.232 1.00 62.33 H new ATOM 0 HB2 CYS A 65 2.698 -13.028 24.495 1.00 14.20 H new ATOM 0 HB3 CYS A 65 1.795 -13.613 23.112 1.00 14.20 H new ATOM 0 HG CYS A 65 1.907 -16.301 23.834 1.00 31.41 H new ATOM 897 N ASN A 66 6.198 -13.194 23.333 1.00 22.10 N ATOM 898 CA ASN A 66 7.417 -12.966 24.101 1.00 34.44 C ATOM 899 C ASN A 66 7.189 -11.914 25.183 1.00 64.25 C ATOM 900 O ASN A 66 8.015 -11.743 26.079 1.00 62.05 O ATOM 901 CB ASN A 66 8.553 -12.526 23.176 1.00 20.23 C ATOM 902 CG ASN A 66 8.506 -11.042 22.869 1.00 4.23 C ATOM 903 OD1 ASN A 66 7.449 -10.611 22.191 1.00 55.23 O flip ATOM 904 ND2 ASN A 66 9.411 -10.292 23.238 1.00 10.14 N flip ATOM 0 H ASN A 66 6.254 -12.904 22.357 1.00 22.10 H new ATOM 0 HA ASN A 66 7.694 -13.903 24.583 1.00 34.44 H new ATOM 0 HB2 ASN A 66 9.510 -12.768 23.639 1.00 20.23 H new ATOM 0 HB3 ASN A 66 8.498 -13.089 22.244 1.00 20.23 H new ATOM 0 HD21 ASN A 66 10.205 -10.667 23.757 1.00 10.14 H new ATOM 0 HD22 ASN A 66 9.366 -9.296 23.025 1.00 10.14 H new ATOM 911 N GLU A 67 6.064 -11.213 25.091 1.00 53.11 N ATOM 912 CA GLU A 67 5.728 -10.177 26.061 1.00 25.43 C ATOM 913 C GLU A 67 4.527 -10.591 26.905 1.00 35.54 C ATOM 914 O GLU A 67 3.516 -9.890 26.952 1.00 50.10 O ATOM 915 CB GLU A 67 5.434 -8.856 25.349 1.00 42.31 C ATOM 916 CG GLU A 67 4.570 -9.012 24.109 1.00 43.23 C ATOM 917 CD GLU A 67 3.474 -7.967 24.026 1.00 20.51 C ATOM 918 OE1 GLU A 67 2.448 -8.236 23.367 1.00 71.32 O ATOM 919 OE2 GLU A 67 3.642 -6.882 24.620 1.00 51.01 O ATOM 0 H GLU A 67 5.370 -11.343 24.355 1.00 53.11 H new ATOM 0 HA GLU A 67 6.585 -10.042 26.721 1.00 25.43 H new ATOM 0 HB2 GLU A 67 4.937 -8.181 26.045 1.00 42.31 H new ATOM 0 HB3 GLU A 67 6.377 -8.387 25.068 1.00 42.31 H new ATOM 0 HG2 GLU A 67 5.199 -8.944 23.222 1.00 43.23 H new ATOM 0 HG3 GLU A 67 4.121 -10.005 24.106 1.00 43.23 H new ATOM 926 N ASP A 68 4.644 -11.736 27.570 1.00 1.52 N ATOM 927 CA ASP A 68 3.568 -12.244 28.413 1.00 3.03 C ATOM 928 C ASP A 68 2.538 -11.155 28.695 1.00 74.13 C ATOM 929 O ASP A 68 2.529 -10.557 29.771 1.00 0.20 O ATOM 930 CB ASP A 68 4.133 -12.781 29.729 1.00 23.03 C ATOM 931 CG ASP A 68 3.052 -13.307 30.652 1.00 75.42 C ATOM 932 OD1 ASP A 68 3.342 -13.517 31.848 1.00 12.25 O ATOM 933 OD2 ASP A 68 1.914 -13.509 30.177 1.00 23.24 O ATOM 0 H ASP A 68 5.473 -12.329 27.541 1.00 1.52 H new ATOM 0 HA ASP A 68 3.075 -13.056 27.879 1.00 3.03 H new ATOM 0 HB2 ASP A 68 4.845 -13.579 29.517 1.00 23.03 H new ATOM 0 HB3 ASP A 68 4.684 -11.988 30.235 1.00 23.03 H new ATOM 938 N HIS A 69 1.670 -10.902 27.720 1.00 62.24 N ATOM 939 CA HIS A 69 0.635 -9.885 27.862 1.00 0.42 C ATOM 940 C HIS A 69 -0.754 -10.515 27.837 1.00 20.34 C ATOM 941 O HIS A 69 -1.090 -11.302 26.951 1.00 4.53 O ATOM 942 CB HIS A 69 0.756 -8.845 26.748 1.00 54.32 C ATOM 943 CG HIS A 69 0.500 -9.400 25.380 1.00 3.34 C ATOM 944 ND1 HIS A 69 1.285 -10.377 24.806 1.00 21.44 N ATOM 945 CD2 HIS A 69 -0.461 -9.110 24.473 1.00 40.24 C ATOM 946 CE1 HIS A 69 0.819 -10.664 23.604 1.00 52.40 C ATOM 947 NE2 HIS A 69 -0.241 -9.908 23.377 1.00 21.54 N ATOM 0 H HIS A 69 1.663 -11.388 26.823 1.00 62.24 H new ATOM 0 HA HIS A 69 0.774 -9.393 28.825 1.00 0.42 H new ATOM 0 HB2 HIS A 69 0.052 -8.035 26.940 1.00 54.32 H new ATOM 0 HB3 HIS A 69 1.756 -8.411 26.774 1.00 54.32 H new ATOM 0 HD2 HIS A 69 -1.254 -8.386 24.589 1.00 40.24 H new ATOM 0 HE1 HIS A 69 1.233 -11.392 22.923 1.00 52.40 H new ATOM 0 HE2 HIS A 69 -0.804 -9.916 22.526 1.00 21.54 H new ATOM 955 N PRO A 70 -1.582 -10.165 28.833 1.00 44.31 N ATOM 956 CA PRO A 70 -2.947 -10.685 28.948 1.00 72.35 C ATOM 957 C PRO A 70 -3.868 -10.143 27.860 1.00 43.44 C ATOM 958 O PRO A 70 -5.038 -10.518 27.780 1.00 50.35 O ATOM 959 CB PRO A 70 -3.400 -10.194 30.325 1.00 64.11 C ATOM 960 CG PRO A 70 -2.575 -8.981 30.584 1.00 53.51 C ATOM 961 CD PRO A 70 -1.248 -9.233 29.923 1.00 13.41 C ATOM 0 HA PRO A 70 -2.980 -11.769 28.835 1.00 72.35 H new ATOM 0 HB2 PRO A 70 -4.464 -9.958 30.331 1.00 64.11 H new ATOM 0 HB3 PRO A 70 -3.238 -10.954 31.089 1.00 64.11 H new ATOM 0 HG2 PRO A 70 -3.052 -8.090 30.175 1.00 53.51 H new ATOM 0 HG3 PRO A 70 -2.452 -8.814 31.654 1.00 53.51 H new ATOM 0 HD2 PRO A 70 -0.807 -8.312 29.543 1.00 13.41 H new ATOM 0 HD3 PRO A 70 -0.529 -9.668 30.617 1.00 13.41 H new ATOM 969 N CYS A 71 -3.332 -9.259 27.025 1.00 72.13 N ATOM 970 CA CYS A 71 -4.106 -8.664 25.941 1.00 74.40 C ATOM 971 C CYS A 71 -3.979 -9.490 24.665 1.00 31.31 C ATOM 972 O CYS A 71 -3.061 -10.299 24.525 1.00 0.04 O ATOM 973 CB CYS A 71 -3.643 -7.230 25.683 1.00 51.12 C ATOM 974 SG CYS A 71 -3.496 -6.222 27.176 1.00 1.44 S ATOM 0 H CYS A 71 -2.365 -8.939 27.078 1.00 72.13 H new ATOM 0 HA CYS A 71 -5.154 -8.651 26.241 1.00 74.40 H new ATOM 0 HB2 CYS A 71 -2.677 -7.257 25.179 1.00 51.12 H new ATOM 0 HB3 CYS A 71 -4.345 -6.750 25.001 1.00 51.12 H new ATOM 0 HG CYS A 71 -2.334 -5.640 27.194 1.00 1.44 H new ATOM 980 N HIS A 72 -4.908 -9.282 23.737 1.00 64.53 N ATOM 981 CA HIS A 72 -4.900 -10.009 22.472 1.00 41.11 C ATOM 982 C HIS A 72 -3.565 -9.836 21.754 1.00 3.11 C ATOM 983 O HIS A 72 -2.752 -8.990 22.128 1.00 12.51 O ATOM 984 CB HIS A 72 -6.040 -9.526 21.575 1.00 34.03 C ATOM 985 CG HIS A 72 -7.400 -9.891 22.087 1.00 40.11 C ATOM 986 ND1 HIS A 72 -7.675 -10.078 23.425 1.00 73.40 N ATOM 987 CD2 HIS A 72 -8.565 -10.101 21.431 1.00 35.15 C ATOM 988 CE1 HIS A 72 -8.951 -10.390 23.570 1.00 2.13 C ATOM 989 NE2 HIS A 72 -9.514 -10.410 22.376 1.00 44.14 N ATOM 0 H HIS A 72 -5.675 -8.617 23.837 1.00 64.53 H new ATOM 0 HA HIS A 72 -5.041 -11.068 22.689 1.00 41.11 H new ATOM 0 HB2 HIS A 72 -5.978 -8.443 21.474 1.00 34.03 H new ATOM 0 HB3 HIS A 72 -5.911 -9.948 20.578 1.00 34.03 H new ATOM 0 HD2 HIS A 72 -8.720 -10.038 20.364 1.00 35.15 H new ATOM 0 HE1 HIS A 72 -9.449 -10.594 24.506 1.00 2.13 H new ATOM 0 HE2 HIS A 72 -10.494 -10.620 22.186 1.00 44.14 H new ATOM 997 N HIS A 73 -3.344 -10.644 20.722 1.00 52.22 N ATOM 998 CA HIS A 73 -2.107 -10.580 19.952 1.00 71.13 C ATOM 999 C HIS A 73 -1.881 -9.175 19.402 1.00 11.22 C ATOM 1000 O HIS A 73 -2.054 -8.930 18.208 1.00 52.33 O ATOM 1001 CB HIS A 73 -2.144 -11.589 18.804 1.00 65.42 C ATOM 1002 CG HIS A 73 -3.457 -11.632 18.085 1.00 21.02 C ATOM 1003 ND1 HIS A 73 -3.794 -10.749 17.081 1.00 73.52 N ATOM 1004 CD2 HIS A 73 -4.518 -12.459 18.229 1.00 34.52 C ATOM 1005 CE1 HIS A 73 -5.007 -11.031 16.639 1.00 31.04 C ATOM 1006 NE2 HIS A 73 -5.468 -12.065 17.320 1.00 75.05 N ATOM 0 H HIS A 73 -4.005 -11.351 20.400 1.00 52.22 H new ATOM 0 HA HIS A 73 -1.280 -10.828 20.618 1.00 71.13 H new ATOM 0 HB2 HIS A 73 -1.357 -11.344 18.091 1.00 65.42 H new ATOM 0 HB3 HIS A 73 -1.922 -12.581 19.196 1.00 65.42 H new ATOM 0 HD1 HIS A 73 -3.200 -9.996 16.734 1.00 73.52 H new ATOM 0 HD2 HIS A 73 -4.602 -13.277 18.929 1.00 34.52 H new ATOM 0 HE1 HIS A 73 -5.532 -10.506 15.855 1.00 31.04 H new ATOM 1014 N CYS A 74 -1.495 -8.257 20.281 1.00 43.53 N ATOM 1015 CA CYS A 74 -1.247 -6.875 19.884 1.00 64.03 C ATOM 1016 C CYS A 74 -0.529 -6.111 20.992 1.00 63.43 C ATOM 1017 O CYS A 74 -0.453 -6.574 22.131 1.00 51.14 O ATOM 1018 CB CYS A 74 -2.563 -6.178 19.537 1.00 1.24 C ATOM 1019 SG CYS A 74 -4.036 -7.047 20.124 1.00 24.34 S ATOM 0 H CYS A 74 -1.347 -8.444 21.273 1.00 43.53 H new ATOM 0 HA CYS A 74 -0.607 -6.886 19.002 1.00 64.03 H new ATOM 0 HB2 CYS A 74 -2.553 -5.174 19.962 1.00 1.24 H new ATOM 0 HB3 CYS A 74 -2.628 -6.066 18.455 1.00 1.24 H new ATOM 0 HG CYS A 74 -5.098 -6.379 19.784 1.00 24.34 H new ATOM 1025 N HIS A 75 -0.001 -4.940 20.650 1.00 32.02 N ATOM 1026 CA HIS A 75 0.712 -4.112 21.616 1.00 22.12 C ATOM 1027 C HIS A 75 -0.036 -4.060 22.945 1.00 73.03 C ATOM 1028 O HIS A 75 -1.236 -4.327 23.002 1.00 51.21 O ATOM 1029 CB HIS A 75 0.900 -2.697 21.067 1.00 34.52 C ATOM 1030 CG HIS A 75 -0.345 -1.866 21.118 1.00 40.24 C ATOM 1031 ND1 HIS A 75 -0.551 -0.876 22.055 1.00 35.24 N ATOM 1032 CD2 HIS A 75 -1.451 -1.879 20.338 1.00 71.55 C ATOM 1033 CE1 HIS A 75 -1.731 -0.318 21.851 1.00 35.52 C ATOM 1034 NE2 HIS A 75 -2.298 -0.909 20.814 1.00 5.11 N ATOM 0 H HIS A 75 -0.053 -4.543 19.712 1.00 32.02 H new ATOM 0 HA HIS A 75 1.691 -4.560 21.788 1.00 22.12 H new ATOM 0 HB2 HIS A 75 1.685 -2.197 21.635 1.00 34.52 H new ATOM 0 HB3 HIS A 75 1.244 -2.759 20.035 1.00 34.52 H new ATOM 0 HD2 HIS A 75 -1.633 -2.532 19.497 1.00 71.55 H new ATOM 0 HE1 HIS A 75 -2.159 0.485 22.433 1.00 35.52 H new ATOM 0 HE2 HIS A 75 -3.215 -0.682 20.430 1.00 5.11 H new ATOM 1042 N GLU A 76 0.681 -3.716 24.010 1.00 41.44 N ATOM 1043 CA GLU A 76 0.084 -3.631 25.337 1.00 11.42 C ATOM 1044 C GLU A 76 -1.205 -2.814 25.303 1.00 71.53 C ATOM 1045 O GLU A 76 -1.172 -1.587 25.228 1.00 41.35 O ATOM 1046 CB GLU A 76 1.070 -3.005 26.325 1.00 4.14 C ATOM 1047 CG GLU A 76 0.495 -2.809 27.718 1.00 50.41 C ATOM 1048 CD GLU A 76 0.373 -4.109 28.487 1.00 32.54 C ATOM 1049 OE1 GLU A 76 0.369 -5.180 27.844 1.00 22.25 O ATOM 1050 OE2 GLU A 76 0.281 -4.057 29.732 1.00 74.15 O ATOM 0 H GLU A 76 1.676 -3.492 23.980 1.00 41.44 H new ATOM 0 HA GLU A 76 -0.155 -4.643 25.664 1.00 11.42 H new ATOM 0 HB2 GLU A 76 1.955 -3.638 26.392 1.00 4.14 H new ATOM 0 HB3 GLU A 76 1.397 -2.040 25.937 1.00 4.14 H new ATOM 0 HG2 GLU A 76 1.130 -2.120 28.275 1.00 50.41 H new ATOM 0 HG3 GLU A 76 -0.488 -2.344 27.639 1.00 50.41 H new ATOM 1057 N GLU A 77 -2.339 -3.507 25.358 1.00 44.33 N ATOM 1058 CA GLU A 77 -3.638 -2.846 25.331 1.00 34.22 C ATOM 1059 C GLU A 77 -4.212 -2.718 26.739 1.00 33.14 C ATOM 1060 O GLU A 77 -3.498 -2.876 27.729 1.00 24.33 O ATOM 1061 CB GLU A 77 -4.611 -3.622 24.441 1.00 54.33 C ATOM 1062 CG GLU A 77 -5.429 -2.735 23.516 1.00 30.24 C ATOM 1063 CD GLU A 77 -6.905 -3.085 23.528 1.00 44.44 C ATOM 1064 OE1 GLU A 77 -7.553 -2.886 24.577 1.00 64.13 O ATOM 1065 OE2 GLU A 77 -7.411 -3.556 22.488 1.00 31.34 O ATOM 0 H GLU A 77 -2.384 -4.524 25.421 1.00 44.33 H new ATOM 0 HA GLU A 77 -3.500 -1.846 24.921 1.00 34.22 H new ATOM 0 HB2 GLU A 77 -4.049 -4.338 23.841 1.00 54.33 H new ATOM 0 HB3 GLU A 77 -5.288 -4.197 25.072 1.00 54.33 H new ATOM 0 HG2 GLU A 77 -5.304 -1.694 23.813 1.00 30.24 H new ATOM 0 HG3 GLU A 77 -5.046 -2.825 22.499 1.00 30.24 H new ATOM 1072 N ASP A 78 -5.507 -2.430 26.820 1.00 24.02 N ATOM 1073 CA ASP A 78 -6.178 -2.281 28.106 1.00 2.22 C ATOM 1074 C ASP A 78 -7.032 -3.505 28.419 1.00 72.44 C ATOM 1075 O ASP A 78 -8.061 -3.403 29.088 1.00 45.22 O ATOM 1076 CB ASP A 78 -7.047 -1.023 28.109 1.00 54.42 C ATOM 1077 CG ASP A 78 -7.251 -0.462 29.503 1.00 62.23 C ATOM 1078 OD1 ASP A 78 -7.066 0.760 29.684 1.00 73.20 O ATOM 1079 OD2 ASP A 78 -7.595 -1.245 30.412 1.00 32.31 O ATOM 0 H ASP A 78 -6.112 -2.295 26.010 1.00 24.02 H new ATOM 0 HA ASP A 78 -5.414 -2.187 28.878 1.00 2.22 H new ATOM 0 HB2 ASP A 78 -6.583 -0.264 27.479 1.00 54.42 H new ATOM 0 HB3 ASP A 78 -8.017 -1.254 27.668 1.00 54.42 H new ATOM 1084 N ASP A 79 -6.600 -4.662 27.929 1.00 72.21 N ATOM 1085 CA ASP A 79 -7.325 -5.907 28.156 1.00 54.15 C ATOM 1086 C ASP A 79 -7.159 -6.378 29.597 1.00 64.32 C ATOM 1087 O ASP A 79 -6.520 -5.710 30.409 1.00 34.31 O ATOM 1088 CB ASP A 79 -6.837 -6.990 27.192 1.00 43.50 C ATOM 1089 CG ASP A 79 -7.968 -7.851 26.667 1.00 33.11 C ATOM 1090 OD1 ASP A 79 -8.489 -8.682 27.440 1.00 35.22 O ATOM 1091 OD2 ASP A 79 -8.333 -7.694 25.483 1.00 13.24 O ATOM 0 H ASP A 79 -5.751 -4.764 27.372 1.00 72.21 H new ATOM 0 HA ASP A 79 -8.383 -5.720 27.974 1.00 54.15 H new ATOM 0 HB2 ASP A 79 -6.322 -6.521 26.354 1.00 43.50 H new ATOM 0 HB3 ASP A 79 -6.109 -7.622 27.699 1.00 43.50 H new ATOM 1096 N GLY A 80 -7.738 -7.534 29.907 1.00 14.02 N ATOM 1097 CA GLY A 80 -7.643 -8.074 31.251 1.00 74.33 C ATOM 1098 C GLY A 80 -9.003 -8.317 31.876 1.00 41.15 C ATOM 1099 O GLY A 80 -9.968 -8.630 31.177 1.00 5.15 O ATOM 0 H GLY A 80 -8.271 -8.106 29.252 1.00 14.02 H new ATOM 0 HA2 GLY A 80 -7.086 -9.011 31.224 1.00 74.33 H new ATOM 0 HA3 GLY A 80 -7.077 -7.384 31.877 1.00 74.33 H new ATOM 1103 N ASP A 81 -9.080 -8.174 33.194 1.00 72.10 N ATOM 1104 CA ASP A 81 -10.332 -8.380 33.913 1.00 22.54 C ATOM 1105 C ASP A 81 -10.926 -7.049 34.364 1.00 64.43 C ATOM 1106 O ASP A 81 -10.321 -5.992 34.178 1.00 34.51 O ATOM 1107 CB ASP A 81 -10.105 -9.288 35.124 1.00 55.32 C ATOM 1108 CG ASP A 81 -11.337 -10.097 35.479 1.00 13.23 C ATOM 1109 OD1 ASP A 81 -12.052 -10.529 34.551 1.00 61.34 O ATOM 1110 OD2 ASP A 81 -11.586 -10.298 36.686 1.00 34.21 O ATOM 0 H ASP A 81 -8.291 -7.916 33.786 1.00 72.10 H new ATOM 0 HA ASP A 81 -11.037 -8.860 33.235 1.00 22.54 H new ATOM 0 HB2 ASP A 81 -9.276 -9.965 34.917 1.00 55.32 H new ATOM 0 HB3 ASP A 81 -9.813 -8.680 35.981 1.00 55.32 H new ATOM 1115 N THR A 82 -12.114 -7.108 34.956 1.00 14.41 N ATOM 1116 CA THR A 82 -12.791 -5.907 35.431 1.00 73.41 C ATOM 1117 C THR A 82 -11.828 -4.991 36.177 1.00 61.51 C ATOM 1118 O THR A 82 -11.484 -3.911 35.696 1.00 61.44 O ATOM 1119 CB THR A 82 -13.971 -6.257 36.358 1.00 61.23 C ATOM 1120 OG1 THR A 82 -14.728 -7.337 35.800 1.00 15.14 O ATOM 1121 CG2 THR A 82 -14.874 -5.050 36.563 1.00 20.42 C ATOM 0 H THR A 82 -12.628 -7.974 35.118 1.00 14.41 H new ATOM 0 HA THR A 82 -13.171 -5.389 34.550 1.00 73.41 H new ATOM 0 HB THR A 82 -13.569 -6.558 37.325 1.00 61.23 H new ATOM 0 HG1 THR A 82 -15.475 -7.555 36.396 1.00 15.14 H new ATOM 0 HG21 THR A 82 -15.700 -5.321 37.221 1.00 20.42 H new ATOM 0 HG22 THR A 82 -14.301 -4.240 37.014 1.00 20.42 H new ATOM 0 HG23 THR A 82 -15.269 -4.723 35.601 1.00 20.42 H new ATOM 1129 N HIS A 83 -11.395 -5.429 37.355 1.00 64.32 N ATOM 1130 CA HIS A 83 -10.469 -4.648 38.167 1.00 24.22 C ATOM 1131 C HIS A 83 -9.327 -4.102 37.316 1.00 44.23 C ATOM 1132 O HIS A 83 -8.999 -2.917 37.386 1.00 11.41 O ATOM 1133 CB HIS A 83 -9.909 -5.503 39.304 1.00 25.33 C ATOM 1134 CG HIS A 83 -10.950 -5.963 40.277 1.00 13.12 C ATOM 1135 ND1 HIS A 83 -12.254 -5.514 40.252 1.00 2.22 N ATOM 1136 CD2 HIS A 83 -10.875 -6.839 41.307 1.00 53.53 C ATOM 1137 CE1 HIS A 83 -12.935 -6.092 41.225 1.00 10.13 C ATOM 1138 NE2 HIS A 83 -12.122 -6.901 41.880 1.00 44.02 N ATOM 0 H HIS A 83 -11.670 -6.320 37.768 1.00 64.32 H new ATOM 0 HA HIS A 83 -11.017 -3.807 38.591 1.00 24.22 H new ATOM 0 HB2 HIS A 83 -9.410 -6.374 38.880 1.00 25.33 H new ATOM 0 HB3 HIS A 83 -9.151 -4.930 39.839 1.00 25.33 H new ATOM 0 HD2 HIS A 83 -9.998 -7.387 41.620 1.00 53.53 H new ATOM 0 HE1 HIS A 83 -13.979 -5.930 41.447 1.00 10.13 H new ATOM 0 HE2 HIS A 83 -12.378 -7.478 42.681 1.00 44.02 H new ATOM 1146 N CYS A 84 -8.725 -4.973 36.513 1.00 4.53 N ATOM 1147 CA CYS A 84 -7.618 -4.577 35.649 1.00 22.42 C ATOM 1148 C CYS A 84 -8.004 -3.382 34.784 1.00 63.43 C ATOM 1149 O CYS A 84 -7.190 -2.491 34.539 1.00 10.23 O ATOM 1150 CB CYS A 84 -7.193 -5.749 34.763 1.00 44.35 C ATOM 1151 SG CYS A 84 -6.563 -7.176 35.677 1.00 44.23 S ATOM 0 H CYS A 84 -8.984 -5.957 36.442 1.00 4.53 H new ATOM 0 HA CYS A 84 -6.780 -4.287 36.282 1.00 22.42 H new ATOM 0 HB2 CYS A 84 -8.046 -6.064 34.162 1.00 44.35 H new ATOM 0 HB3 CYS A 84 -6.424 -5.407 34.070 1.00 44.35 H new ATOM 0 HG CYS A 84 -6.232 -8.115 34.841 1.00 44.23 H new ATOM 1157 N HIS A 85 -9.250 -3.371 34.321 1.00 63.22 N ATOM 1158 CA HIS A 85 -9.744 -2.286 33.481 1.00 44.22 C ATOM 1159 C HIS A 85 -9.886 -0.997 34.286 1.00 63.53 C ATOM 1160 O HIS A 85 -9.736 0.101 33.749 1.00 71.21 O ATOM 1161 CB HIS A 85 -11.089 -2.664 32.860 1.00 22.34 C ATOM 1162 CG HIS A 85 -10.979 -3.685 31.770 1.00 34.31 C ATOM 1163 ND1 HIS A 85 -10.174 -4.801 31.861 1.00 1.35 N ATOM 1164 CD2 HIS A 85 -11.581 -3.756 30.560 1.00 52.23 C ATOM 1165 CE1 HIS A 85 -10.284 -5.512 30.754 1.00 64.22 C ATOM 1166 NE2 HIS A 85 -11.132 -4.900 29.948 1.00 71.13 N ATOM 0 H HIS A 85 -9.936 -4.101 34.513 1.00 63.22 H new ATOM 0 HA HIS A 85 -9.019 -2.118 32.684 1.00 44.22 H new ATOM 0 HB2 HIS A 85 -11.746 -3.047 33.641 1.00 22.34 H new ATOM 0 HB3 HIS A 85 -11.560 -1.766 32.460 1.00 22.34 H new ATOM 0 HD1 HIS A 85 -9.585 -5.040 32.659 1.00 1.35 H new ATOM 0 HD2 HIS A 85 -12.284 -3.045 30.152 1.00 52.23 H new ATOM 0 HE1 HIS A 85 -9.768 -6.437 30.543 1.00 64.22 H new ATOM 1174 N CYS A 86 -10.176 -1.140 35.574 1.00 3.31 N ATOM 1175 CA CYS A 86 -10.340 0.013 36.453 1.00 44.03 C ATOM 1176 C CYS A 86 -8.987 0.621 36.810 1.00 53.11 C ATOM 1177 O CYS A 86 -8.864 1.836 36.969 1.00 60.53 O ATOM 1178 CB CYS A 86 -11.083 -0.392 37.727 1.00 62.04 C ATOM 1179 SG CYS A 86 -12.878 -0.494 37.533 1.00 24.13 S ATOM 0 H CYS A 86 -10.302 -2.042 36.033 1.00 3.31 H new ATOM 0 HA CYS A 86 -10.927 0.763 35.922 1.00 44.03 H new ATOM 0 HB2 CYS A 86 -10.709 -1.360 38.061 1.00 62.04 H new ATOM 0 HB3 CYS A 86 -10.853 0.327 38.513 1.00 62.04 H new ATOM 0 HG CYS A 86 -13.417 -0.845 38.663 1.00 24.13 H new ATOM 1185 N SER A 87 -7.976 -0.232 36.936 1.00 4.34 N ATOM 1186 CA SER A 87 -6.633 0.221 37.281 1.00 62.14 C ATOM 1187 C SER A 87 -5.877 0.677 36.036 1.00 75.42 C ATOM 1188 O SER A 87 -4.931 1.460 36.123 1.00 54.43 O ATOM 1189 CB SER A 87 -5.858 -0.898 37.980 1.00 53.11 C ATOM 1190 OG SER A 87 -6.563 -1.375 39.113 1.00 72.23 O ATOM 0 H SER A 87 -8.061 -1.240 36.805 1.00 4.34 H new ATOM 0 HA SER A 87 -6.726 1.069 37.960 1.00 62.14 H new ATOM 0 HB2 SER A 87 -5.688 -1.718 37.282 1.00 53.11 H new ATOM 0 HB3 SER A 87 -4.878 -0.530 38.285 1.00 53.11 H new ATOM 0 HG SER A 87 -6.048 -2.090 39.541 1.00 72.23 H new ATOM 1196 N CYS A 88 -6.302 0.180 34.879 1.00 11.33 N ATOM 1197 CA CYS A 88 -5.666 0.535 33.615 1.00 32.04 C ATOM 1198 C CYS A 88 -6.258 1.823 33.051 1.00 30.45 C ATOM 1199 O CYS A 88 -5.547 2.639 32.466 1.00 33.22 O ATOM 1200 CB CYS A 88 -5.827 -0.600 32.603 1.00 23.55 C ATOM 1201 SG CYS A 88 -4.587 -1.908 32.758 1.00 51.41 S ATOM 0 H CYS A 88 -7.084 -0.469 34.790 1.00 11.33 H new ATOM 0 HA CYS A 88 -4.605 0.696 33.804 1.00 32.04 H new ATOM 0 HB2 CYS A 88 -6.818 -1.038 32.719 1.00 23.55 H new ATOM 0 HB3 CYS A 88 -5.778 -0.185 31.596 1.00 23.55 H new ATOM 0 HG CYS A 88 -4.807 -2.823 31.862 1.00 51.41 H new ATOM 1349 N THR A 99 1.907 9.607 26.068 1.00 62.45 N ATOM 1350 CA THR A 99 3.249 9.139 25.743 1.00 73.20 C ATOM 1351 C THR A 99 3.333 8.672 24.294 1.00 33.34 C ATOM 1352 O THR A 99 3.588 9.466 23.389 1.00 3.40 O ATOM 1353 CB THR A 99 3.681 7.986 26.668 1.00 33.42 C ATOM 1354 OG1 THR A 99 2.628 7.020 26.772 1.00 42.21 O ATOM 1355 CG2 THR A 99 4.036 8.507 28.053 1.00 60.44 C ATOM 0 HA THR A 99 3.922 9.984 25.889 1.00 73.20 H new ATOM 0 HB THR A 99 4.564 7.515 26.236 1.00 33.42 H new ATOM 0 HG1 THR A 99 3.011 6.136 26.953 1.00 42.21 H new ATOM 0 HG21 THR A 99 4.338 7.675 28.689 1.00 60.44 H new ATOM 0 HG22 THR A 99 4.857 9.220 27.974 1.00 60.44 H new ATOM 0 HG23 THR A 99 3.168 9.000 28.490 1.00 60.44 H new ATOM 1363 N HIS A 100 3.115 7.378 24.081 1.00 22.31 N ATOM 1364 CA HIS A 100 3.165 6.805 22.741 1.00 61.14 C ATOM 1365 C HIS A 100 4.089 5.592 22.702 1.00 23.54 C ATOM 1366 O HIS A 100 4.871 5.365 23.625 1.00 33.40 O ATOM 1367 CB HIS A 100 3.638 7.853 21.733 1.00 61.34 C ATOM 1368 CG HIS A 100 3.767 7.326 20.337 1.00 72.34 C ATOM 1369 ND1 HIS A 100 2.728 6.718 19.663 1.00 44.22 N ATOM 1370 CD2 HIS A 100 4.820 7.319 19.486 1.00 11.52 C ATOM 1371 CE1 HIS A 100 3.138 6.359 18.459 1.00 13.41 C ATOM 1372 NE2 HIS A 100 4.403 6.713 18.327 1.00 42.44 N ATOM 0 H HIS A 100 2.902 6.707 24.819 1.00 22.31 H new ATOM 0 HA HIS A 100 2.159 6.482 22.474 1.00 61.14 H new ATOM 0 HB2 HIS A 100 2.938 8.688 21.734 1.00 61.34 H new ATOM 0 HB3 HIS A 100 4.603 8.246 22.055 1.00 61.34 H new ATOM 0 HD1 HIS A 100 1.790 6.569 20.036 1.00 44.22 H new ATOM 0 HD2 HIS A 100 5.805 7.716 19.682 1.00 11.52 H new ATOM 0 HE1 HIS A 100 2.540 5.861 17.710 1.00 13.41 H new ATOM 1380 N GLY A 101 3.993 4.814 21.628 1.00 22.21 N ATOM 1381 CA GLY A 101 4.825 3.633 21.490 1.00 23.25 C ATOM 1382 C GLY A 101 6.248 3.970 21.091 1.00 23.42 C ATOM 1383 O GLY A 101 6.741 3.494 20.069 1.00 4.01 O ATOM 0 H GLY A 101 3.354 4.981 20.851 1.00 22.21 H new ATOM 0 HA2 GLY A 101 4.835 3.087 22.433 1.00 23.25 H new ATOM 0 HA3 GLY A 101 4.389 2.970 20.743 1.00 23.25 H new ATOM 1387 N GLU A 102 6.909 4.793 21.899 1.00 52.52 N ATOM 1388 CA GLU A 102 8.283 5.195 21.622 1.00 71.13 C ATOM 1389 C GLU A 102 8.977 5.674 22.894 1.00 72.23 C ATOM 1390 O GLU A 102 8.329 5.934 23.908 1.00 54.53 O ATOM 1391 CB GLU A 102 8.311 6.301 20.565 1.00 44.02 C ATOM 1392 CG GLU A 102 9.307 7.408 20.869 1.00 61.34 C ATOM 1393 CD GLU A 102 10.704 7.088 20.372 1.00 52.42 C ATOM 1394 OE1 GLU A 102 11.576 7.980 20.441 1.00 54.13 O ATOM 1395 OE2 GLU A 102 10.925 5.948 19.914 1.00 20.12 O ATOM 0 H GLU A 102 6.515 5.194 22.750 1.00 52.52 H new ATOM 0 HA GLU A 102 8.819 4.325 21.242 1.00 71.13 H new ATOM 0 HB2 GLU A 102 8.553 5.861 19.597 1.00 44.02 H new ATOM 0 HB3 GLU A 102 7.315 6.734 20.478 1.00 44.02 H new ATOM 0 HG2 GLU A 102 8.965 8.335 20.409 1.00 61.34 H new ATOM 0 HG3 GLU A 102 9.338 7.578 21.945 1.00 61.34 H new ATOM 1402 N CYS A 103 10.299 5.787 22.832 1.00 24.13 N ATOM 1403 CA CYS A 103 11.083 6.233 23.978 1.00 62.12 C ATOM 1404 C CYS A 103 11.214 7.753 23.988 1.00 1.34 C ATOM 1405 O CYS A 103 11.200 8.397 22.938 1.00 23.25 O ATOM 1406 CB CYS A 103 12.472 5.591 23.953 1.00 34.34 C ATOM 1407 SG CYS A 103 12.992 5.008 22.308 1.00 24.40 S ATOM 0 H CYS A 103 10.850 5.576 22.000 1.00 24.13 H new ATOM 0 HA CYS A 103 10.563 5.924 24.885 1.00 62.12 H new ATOM 0 HB2 CYS A 103 13.201 6.314 24.318 1.00 34.34 H new ATOM 0 HB3 CYS A 103 12.484 4.749 24.646 1.00 34.34 H new ATOM 1412 N THR A 104 11.342 8.322 25.183 1.00 14.51 N ATOM 1413 CA THR A 104 11.474 9.766 25.332 1.00 42.23 C ATOM 1414 C THR A 104 12.737 10.126 26.106 1.00 63.43 C ATOM 1415 O THR A 104 13.095 11.298 26.222 1.00 53.15 O ATOM 1416 CB THR A 104 10.255 10.371 26.052 1.00 14.13 C ATOM 1417 OG1 THR A 104 9.923 11.638 25.474 1.00 12.42 O ATOM 1418 CG2 THR A 104 10.534 10.543 27.538 1.00 42.23 C ATOM 0 H THR A 104 11.357 7.804 26.062 1.00 14.51 H new ATOM 0 HA THR A 104 11.536 10.182 24.327 1.00 42.23 H new ATOM 0 HB THR A 104 9.415 9.687 25.933 1.00 14.13 H new ATOM 0 HG1 THR A 104 9.891 11.554 24.498 1.00 12.42 H new ATOM 0 HG21 THR A 104 9.658 10.972 28.025 1.00 42.23 H new ATOM 0 HG22 THR A 104 10.757 9.572 27.981 1.00 42.23 H new ATOM 0 HG23 THR A 104 11.387 11.208 27.673 1.00 42.23 H new ATOM 1426 N LYS A 105 13.411 9.110 26.634 1.00 20.51 N ATOM 1427 CA LYS A 105 14.637 9.317 27.396 1.00 14.31 C ATOM 1428 C LYS A 105 15.740 8.378 26.919 1.00 52.21 C ATOM 1429 O LYS A 105 15.551 7.611 25.975 1.00 60.31 O ATOM 1430 CB LYS A 105 14.377 9.099 28.888 1.00 12.34 C ATOM 1431 CG LYS A 105 12.902 9.043 29.247 1.00 30.41 C ATOM 1432 CD LYS A 105 12.697 8.697 30.713 1.00 64.14 C ATOM 1433 CE LYS A 105 12.126 9.874 31.488 1.00 31.23 C ATOM 1434 NZ LYS A 105 13.198 10.755 32.028 1.00 12.33 N ATOM 0 H LYS A 105 13.128 8.134 26.548 1.00 20.51 H new ATOM 0 HA LYS A 105 14.965 10.344 27.236 1.00 14.31 H new ATOM 0 HB2 LYS A 105 14.854 8.169 29.199 1.00 12.34 H new ATOM 0 HB3 LYS A 105 14.849 9.904 29.452 1.00 12.34 H new ATOM 0 HG2 LYS A 105 12.437 10.005 29.031 1.00 30.41 H new ATOM 0 HG3 LYS A 105 12.403 8.301 28.624 1.00 30.41 H new ATOM 0 HD2 LYS A 105 12.023 7.844 30.796 1.00 64.14 H new ATOM 0 HD3 LYS A 105 13.648 8.397 31.154 1.00 64.14 H new ATOM 0 HE2 LYS A 105 11.472 10.455 30.837 1.00 31.23 H new ATOM 0 HE3 LYS A 105 11.512 9.504 32.309 1.00 31.23 H new ATOM 0 HZ1 LYS A 105 12.768 11.545 32.550 1.00 12.33 H new ATOM 0 HZ2 LYS A 105 13.807 10.208 32.669 1.00 12.33 H new ATOM 0 HZ3 LYS A 105 13.769 11.128 31.243 1.00 12.33 H new ATOM 1448 N LYS A 106 16.892 8.443 27.578 1.00 73.10 N ATOM 1449 CA LYS A 106 18.025 7.597 27.224 1.00 61.23 C ATOM 1450 C LYS A 106 17.692 6.124 27.437 1.00 21.44 C ATOM 1451 O LYS A 106 18.529 5.250 27.214 1.00 23.23 O ATOM 1452 CB LYS A 106 19.252 7.979 28.054 1.00 25.10 C ATOM 1453 CG LYS A 106 20.550 7.963 27.264 1.00 11.54 C ATOM 1454 CD LYS A 106 21.371 6.721 27.565 1.00 72.30 C ATOM 1455 CE LYS A 106 21.899 6.080 26.291 1.00 60.14 C ATOM 1456 NZ LYS A 106 23.287 5.569 26.461 1.00 44.10 N ATOM 0 H LYS A 106 17.065 9.074 28.361 1.00 73.10 H new ATOM 0 HA LYS A 106 18.246 7.752 26.168 1.00 61.23 H new ATOM 0 HB2 LYS A 106 19.102 8.975 28.471 1.00 25.10 H new ATOM 0 HB3 LYS A 106 19.340 7.291 28.895 1.00 25.10 H new ATOM 0 HG2 LYS A 106 20.328 8.004 26.198 1.00 11.54 H new ATOM 0 HG3 LYS A 106 21.133 8.852 27.503 1.00 11.54 H new ATOM 0 HD2 LYS A 106 22.206 6.984 28.214 1.00 72.30 H new ATOM 0 HD3 LYS A 106 20.759 6.002 28.109 1.00 72.30 H new ATOM 0 HE2 LYS A 106 21.243 5.260 25.999 1.00 60.14 H new ATOM 0 HE3 LYS A 106 21.877 6.810 25.481 1.00 60.14 H new ATOM 0 HZ1 LYS A 106 23.610 5.140 25.571 1.00 44.10 H new ATOM 0 HZ2 LYS A 106 23.918 6.356 26.715 1.00 44.10 H new ATOM 0 HZ3 LYS A 106 23.304 4.854 27.216 1.00 44.10 H new ATOM 1470 N ALA A 107 16.464 5.856 27.870 1.00 62.13 N ATOM 1471 CA ALA A 107 16.020 4.488 28.110 1.00 42.52 C ATOM 1472 C ALA A 107 15.365 3.898 26.866 1.00 21.40 C ATOM 1473 O ALA A 107 15.287 4.534 25.815 1.00 74.43 O ATOM 1474 CB ALA A 107 15.057 4.445 29.287 1.00 41.40 C ATOM 0 H ALA A 107 15.759 6.568 28.062 1.00 62.13 H new ATOM 0 HA ALA A 107 16.895 3.884 28.349 1.00 42.52 H new ATOM 0 HB1 ALA A 107 14.733 3.418 29.455 1.00 41.40 H new ATOM 0 HB2 ALA A 107 15.557 4.819 30.180 1.00 41.40 H new ATOM 0 HB3 ALA A 107 14.189 5.068 29.070 1.00 41.40 H new ATOM 1480 N PRO A 108 14.883 2.651 26.985 1.00 4.52 N ATOM 1481 CA PRO A 108 14.227 1.948 25.880 1.00 74.52 C ATOM 1482 C PRO A 108 12.866 2.546 25.538 1.00 22.23 C ATOM 1483 O PRO A 108 12.272 3.262 26.344 1.00 14.13 O ATOM 1484 CB PRO A 108 14.065 0.522 26.413 1.00 22.12 C ATOM 1485 CG PRO A 108 14.040 0.672 27.895 1.00 2.41 C ATOM 1486 CD PRO A 108 14.942 1.834 28.209 1.00 63.14 C ATOM 0 HA PRO A 108 14.805 2.010 24.958 1.00 74.52 H new ATOM 0 HB2 PRO A 108 13.146 0.064 26.046 1.00 22.12 H new ATOM 0 HB3 PRO A 108 14.889 -0.116 26.094 1.00 22.12 H new ATOM 0 HG2 PRO A 108 13.027 0.857 28.251 1.00 2.41 H new ATOM 0 HG3 PRO A 108 14.389 -0.237 28.385 1.00 2.41 H new ATOM 0 HD2 PRO A 108 14.594 2.389 29.080 1.00 63.14 H new ATOM 0 HD3 PRO A 108 15.959 1.507 28.425 1.00 63.14 H new ATOM 1494 N CYS A 109 12.378 2.247 24.339 1.00 10.31 N ATOM 1495 CA CYS A 109 11.087 2.755 23.890 1.00 3.33 C ATOM 1496 C CYS A 109 9.943 2.007 24.568 1.00 72.15 C ATOM 1497 O CYS A 109 10.015 0.795 24.772 1.00 2.10 O ATOM 1498 CB CYS A 109 10.966 2.628 22.370 1.00 31.35 C ATOM 1499 SG CYS A 109 12.204 3.589 21.442 1.00 12.54 S ATOM 0 H CYS A 109 12.857 1.655 23.660 1.00 10.31 H new ATOM 0 HA CYS A 109 11.023 3.808 24.165 1.00 3.33 H new ATOM 0 HB2 CYS A 109 11.057 1.577 22.096 1.00 31.35 H new ATOM 0 HB3 CYS A 109 9.970 2.951 22.067 1.00 31.35 H new ATOM 1504 N TRP A 110 8.888 2.737 24.912 1.00 24.03 N ATOM 1505 CA TRP A 110 7.728 2.142 25.566 1.00 2.43 C ATOM 1506 C TRP A 110 6.544 2.066 24.609 1.00 14.14 C ATOM 1507 O TRP A 110 6.538 2.712 23.561 1.00 21.04 O ATOM 1508 CB TRP A 110 7.346 2.951 26.807 1.00 41.31 C ATOM 1509 CG TRP A 110 6.037 3.668 26.669 1.00 41.12 C ATOM 1510 CD1 TRP A 110 5.762 4.719 25.842 1.00 54.34 C ATOM 1511 CD2 TRP A 110 4.827 3.387 27.381 1.00 40.25 C ATOM 1512 NE1 TRP A 110 4.453 5.109 25.996 1.00 30.32 N ATOM 1513 CE2 TRP A 110 3.858 4.307 26.934 1.00 71.22 C ATOM 1514 CE3 TRP A 110 4.467 2.447 28.350 1.00 41.21 C ATOM 1515 CZ2 TRP A 110 2.555 4.312 27.425 1.00 3.42 C ATOM 1516 CZ3 TRP A 110 3.174 2.454 28.837 1.00 51.41 C ATOM 1517 CH2 TRP A 110 2.230 3.381 28.374 1.00 44.22 C ATOM 0 H TRP A 110 8.812 3.741 24.749 1.00 24.03 H new ATOM 0 HA TRP A 110 7.992 1.129 25.869 1.00 2.43 H new ATOM 0 HB2 TRP A 110 7.297 2.283 27.667 1.00 41.31 H new ATOM 0 HB3 TRP A 110 8.131 3.679 27.013 1.00 41.31 H new ATOM 0 HD1 TRP A 110 6.469 5.177 25.166 1.00 54.34 H new ATOM 0 HE1 TRP A 110 3.998 5.872 25.494 1.00 30.32 H new ATOM 0 HE3 TRP A 110 5.187 1.728 28.712 1.00 41.21 H new ATOM 0 HZ2 TRP A 110 1.826 5.026 27.069 1.00 3.42 H new ATOM 0 HZ3 TRP A 110 2.886 1.733 29.587 1.00 51.41 H new ATOM 0 HH2 TRP A 110 1.227 3.360 28.774 1.00 44.22 H new ATOM 1528 N ARG A 111 5.542 1.273 24.976 1.00 0.44 N ATOM 1529 CA ARG A 111 4.352 1.113 24.149 1.00 23.32 C ATOM 1530 C ARG A 111 3.194 1.941 24.697 1.00 74.05 C ATOM 1531 O ARG A 111 2.869 1.865 25.882 1.00 34.31 O ATOM 1532 CB ARG A 111 3.950 -0.362 24.078 1.00 43.44 C ATOM 1533 CG ARG A 111 4.910 -1.216 23.265 1.00 11.23 C ATOM 1534 CD ARG A 111 4.518 -2.685 23.304 1.00 13.50 C ATOM 1535 NE ARG A 111 5.581 -3.549 22.799 1.00 3.43 N ATOM 1536 CZ ARG A 111 5.378 -4.786 22.363 1.00 75.45 C ATOM 1537 NH1 ARG A 111 4.156 -5.302 22.368 1.00 22.33 N ATOM 1538 NH2 ARG A 111 6.397 -5.511 21.918 1.00 13.32 N ATOM 0 H ARG A 111 5.531 0.732 25.840 1.00 0.44 H new ATOM 0 HA ARG A 111 4.586 1.468 23.145 1.00 23.32 H new ATOM 0 HB2 ARG A 111 3.889 -0.762 25.090 1.00 43.44 H new ATOM 0 HB3 ARG A 111 2.953 -0.438 23.644 1.00 43.44 H new ATOM 0 HG2 ARG A 111 4.922 -0.869 22.232 1.00 11.23 H new ATOM 0 HG3 ARG A 111 5.922 -1.098 23.653 1.00 11.23 H new ATOM 0 HD2 ARG A 111 4.276 -2.969 24.328 1.00 13.50 H new ATOM 0 HD3 ARG A 111 3.616 -2.835 22.711 1.00 13.50 H new ATOM 0 HE ARG A 111 6.532 -3.182 22.780 1.00 3.43 H new ATOM 0 HH11 ARG A 111 3.370 -4.748 22.707 1.00 22.33 H new ATOM 0 HH12 ARG A 111 4.003 -6.253 22.032 1.00 22.33 H new ATOM 0 HH21 ARG A 111 7.338 -5.118 21.911 1.00 13.32 H new ATOM 0 HH22 ARG A 111 6.239 -6.461 21.583 1.00 13.32 H new ATOM 1552 N CYS A 112 2.575 2.731 23.826 1.00 2.21 N ATOM 1553 CA CYS A 112 1.453 3.575 24.222 1.00 23.03 C ATOM 1554 C CYS A 112 0.315 2.734 24.791 1.00 0.32 C ATOM 1555 O CYS A 112 0.004 1.663 24.273 1.00 74.33 O ATOM 1556 CB CYS A 112 0.954 4.390 23.028 1.00 23.40 C ATOM 1557 SG CYS A 112 -0.637 3.837 22.371 1.00 42.14 S ATOM 0 H CYS A 112 2.831 2.805 22.841 1.00 2.21 H new ATOM 0 HA CYS A 112 1.800 4.257 24.998 1.00 23.03 H new ATOM 0 HB2 CYS A 112 0.869 5.435 23.325 1.00 23.40 H new ATOM 0 HB3 CYS A 112 1.699 4.344 22.234 1.00 23.40 H new ATOM 0 HG CYS A 112 -0.831 4.368 21.200 1.00 42.14 H new ATOM 1563 N GLU A 113 -0.301 3.228 25.861 1.00 23.41 N ATOM 1564 CA GLU A 113 -1.403 2.520 26.502 1.00 61.44 C ATOM 1565 C GLU A 113 -2.501 3.491 26.926 1.00 45.34 C ATOM 1566 O GLU A 113 -2.247 4.453 27.651 1.00 2.20 O ATOM 1567 CB GLU A 113 -0.899 1.740 27.718 1.00 72.32 C ATOM 1568 CG GLU A 113 -1.187 0.249 27.647 1.00 11.53 C ATOM 1569 CD GLU A 113 -2.635 -0.050 27.309 1.00 43.43 C ATOM 1570 OE1 GLU A 113 -3.414 -0.336 28.241 1.00 33.34 O ATOM 1571 OE2 GLU A 113 -2.988 0.003 26.112 1.00 22.42 O ATOM 0 H GLU A 113 -0.056 4.115 26.302 1.00 23.41 H new ATOM 0 HA GLU A 113 -1.821 1.820 25.778 1.00 61.44 H new ATOM 0 HB2 GLU A 113 0.176 1.890 27.815 1.00 72.32 H new ATOM 0 HB3 GLU A 113 -1.360 2.148 28.617 1.00 72.32 H new ATOM 0 HG2 GLU A 113 -0.541 -0.207 26.897 1.00 11.53 H new ATOM 0 HG3 GLU A 113 -0.939 -0.211 28.603 1.00 11.53 H new ATOM 1721 N CYS A 123 -1.059 2.507 18.781 1.00 0.55 N ATOM 1722 CA CYS A 123 0.357 2.768 18.550 1.00 43.23 C ATOM 1723 C CYS A 123 1.210 1.591 19.013 1.00 12.53 C ATOM 1724 O CYS A 123 0.699 0.498 19.253 1.00 2.21 O ATOM 1725 CB CYS A 123 0.788 4.043 19.276 1.00 0.23 C ATOM 1726 SG CYS A 123 -0.427 5.380 19.204 1.00 41.30 S ATOM 0 HA CYS A 123 0.506 2.902 17.478 1.00 43.23 H new ATOM 0 HB2 CYS A 123 0.988 3.804 20.321 1.00 0.23 H new ATOM 0 HB3 CYS A 123 1.725 4.395 18.845 1.00 0.23 H new ATOM 0 HG CYS A 123 -1.562 4.912 18.775 1.00 41.30 H new ATOM 1732 N GLY A 124 2.513 1.823 19.136 1.00 43.51 N ATOM 1733 CA GLY A 124 3.416 0.773 19.568 1.00 23.14 C ATOM 1734 C GLY A 124 3.641 -0.276 18.497 1.00 12.04 C ATOM 1735 O GLY A 124 4.363 -0.039 17.528 1.00 12.52 O ATOM 0 H GLY A 124 2.959 2.720 18.944 1.00 43.51 H new ATOM 0 HA2 GLY A 124 4.373 1.213 19.847 1.00 23.14 H new ATOM 0 HA3 GLY A 124 3.012 0.295 20.461 1.00 23.14 H new ATOM 1739 N CYS A 125 3.023 -1.439 18.672 1.00 50.21 N ATOM 1740 CA CYS A 125 3.161 -2.529 17.713 1.00 20.52 C ATOM 1741 C CYS A 125 2.159 -2.381 16.573 1.00 42.02 C ATOM 1742 O CYS A 125 2.141 -3.185 15.642 1.00 62.23 O ATOM 1743 CB CYS A 125 2.963 -3.877 18.410 1.00 44.43 C ATOM 1744 SG CYS A 125 4.328 -5.038 18.171 1.00 62.31 S ATOM 0 H CYS A 125 2.422 -1.651 19.468 1.00 50.21 H new ATOM 0 HA CYS A 125 4.167 -2.487 17.296 1.00 20.52 H new ATOM 0 HB2 CYS A 125 2.829 -3.706 19.478 1.00 44.43 H new ATOM 0 HB3 CYS A 125 2.044 -4.333 18.042 1.00 44.43 H new ATOM 0 HG CYS A 125 4.070 -6.147 18.799 1.00 62.31 H new ATOM 1750 N GLU A 126 1.326 -1.348 16.654 1.00 22.14 N ATOM 1751 CA GLU A 126 0.320 -1.097 15.630 1.00 54.42 C ATOM 1752 C GLU A 126 0.745 0.051 14.719 1.00 4.41 C ATOM 1753 O GLU A 126 -0.072 0.887 14.333 1.00 55.34 O ATOM 1754 CB GLU A 126 -1.029 -0.776 16.277 1.00 54.34 C ATOM 1755 CG GLU A 126 -1.783 -2.005 16.754 1.00 32.34 C ATOM 1756 CD GLU A 126 -2.593 -2.658 15.651 1.00 34.23 C ATOM 1757 OE1 GLU A 126 -2.535 -2.169 14.504 1.00 45.32 O ATOM 1758 OE2 GLU A 126 -3.286 -3.658 15.935 1.00 11.41 O ATOM 0 H GLU A 126 1.328 -0.672 17.418 1.00 22.14 H new ATOM 0 HA GLU A 126 0.220 -1.999 15.026 1.00 54.42 H new ATOM 0 HB2 GLU A 126 -0.867 -0.109 17.123 1.00 54.34 H new ATOM 0 HB3 GLU A 126 -1.647 -0.237 15.560 1.00 54.34 H new ATOM 0 HG2 GLU A 126 -1.074 -2.729 17.155 1.00 32.34 H new ATOM 0 HG3 GLU A 126 -2.448 -1.724 17.570 1.00 32.34 H new ATOM 1765 N CYS A 127 2.030 0.085 14.381 1.00 15.30 N ATOM 1766 CA CYS A 127 2.565 1.131 13.517 1.00 44.21 C ATOM 1767 C CYS A 127 1.878 1.117 12.155 1.00 22.44 C ATOM 1768 O CYS A 127 1.385 0.081 11.709 1.00 52.01 O ATOM 1769 CB CYS A 127 4.074 0.954 13.342 1.00 23.21 C ATOM 1770 SG CYS A 127 5.064 1.734 14.638 1.00 4.51 S ATOM 0 H CYS A 127 2.720 -0.599 14.692 1.00 15.30 H new ATOM 0 HA CYS A 127 2.371 2.093 13.991 1.00 44.21 H new ATOM 0 HB2 CYS A 127 4.303 -0.111 13.316 1.00 23.21 H new ATOM 0 HB3 CYS A 127 4.368 1.367 12.377 1.00 23.21 H new ATOM 0 HG CYS A 127 4.857 1.125 15.768 1.00 4.51 H new ATOM 1776 N SER A 128 1.849 2.273 11.501 1.00 55.12 N ATOM 1777 CA SER A 128 1.217 2.395 10.192 1.00 33.23 C ATOM 1778 C SER A 128 2.257 2.331 9.078 1.00 24.25 C ATOM 1779 O SER A 128 3.434 2.066 9.326 1.00 30.31 O ATOM 1780 CB SER A 128 0.435 3.706 10.100 1.00 14.51 C ATOM 1781 OG SER A 128 -0.497 3.671 9.033 1.00 60.12 O ATOM 0 H SER A 128 2.256 3.139 11.856 1.00 55.12 H new ATOM 0 HA SER A 128 0.528 1.560 10.070 1.00 33.23 H new ATOM 0 HB2 SER A 128 -0.089 3.887 11.039 1.00 14.51 H new ATOM 0 HB3 SER A 128 1.127 4.536 9.956 1.00 14.51 H new ATOM 0 HG SER A 128 -0.985 4.520 8.997 1.00 60.12 H new ATOM 1787 N LYS A 129 1.815 2.576 7.850 1.00 63.34 N ATOM 1788 CA LYS A 129 2.706 2.548 6.696 1.00 63.22 C ATOM 1789 C LYS A 129 4.070 3.133 7.047 1.00 23.03 C ATOM 1790 O LYS A 129 5.014 2.399 7.344 1.00 2.30 O ATOM 1791 CB LYS A 129 2.090 3.326 5.531 1.00 3.30 C ATOM 1792 CG LYS A 129 0.653 2.938 5.233 1.00 74.14 C ATOM 1793 CD LYS A 129 0.329 3.090 3.756 1.00 60.13 C ATOM 1794 CE LYS A 129 -0.087 4.514 3.420 1.00 72.20 C ATOM 1795 NZ LYS A 129 -0.620 4.624 2.034 1.00 62.43 N ATOM 0 H LYS A 129 0.844 2.796 7.628 1.00 63.34 H new ATOM 0 HA LYS A 129 2.842 1.508 6.399 1.00 63.22 H new ATOM 0 HB2 LYS A 129 2.131 4.392 5.755 1.00 3.30 H new ATOM 0 HB3 LYS A 129 2.694 3.165 4.638 1.00 3.30 H new ATOM 0 HG2 LYS A 129 0.483 1.906 5.539 1.00 74.14 H new ATOM 0 HG3 LYS A 129 -0.022 3.560 5.820 1.00 74.14 H new ATOM 0 HD2 LYS A 129 1.200 2.814 3.161 1.00 60.13 H new ATOM 0 HD3 LYS A 129 -0.472 2.402 3.486 1.00 60.13 H new ATOM 0 HE2 LYS A 129 -0.846 4.847 4.128 1.00 72.20 H new ATOM 0 HE3 LYS A 129 0.769 5.179 3.534 1.00 72.20 H new ATOM 0 HZ1 LYS A 129 -0.892 5.610 1.844 1.00 62.43 H new ATOM 0 HZ2 LYS A 129 0.112 4.330 1.356 1.00 62.43 H new ATOM 0 HZ3 LYS A 129 -1.453 4.009 1.932 1.00 62.43 H new ATOM 1809 N LEU A 130 4.167 4.457 7.014 1.00 42.45 N ATOM 1810 CA LEU A 130 5.416 5.142 7.330 1.00 21.53 C ATOM 1811 C LEU A 130 5.146 6.516 7.935 1.00 62.24 C ATOM 1812 O LEU A 130 5.615 7.541 7.440 1.00 14.41 O ATOM 1813 CB LEU A 130 6.275 5.285 6.073 1.00 64.51 C ATOM 1814 CG LEU A 130 5.516 5.409 4.752 1.00 70.24 C ATOM 1815 CD1 LEU A 130 4.565 6.595 4.792 1.00 42.11 C ATOM 1816 CD2 LEU A 130 6.488 5.541 3.588 1.00 11.22 C ATOM 0 H LEU A 130 3.395 5.078 6.771 1.00 42.45 H new ATOM 0 HA LEU A 130 5.955 4.542 8.064 1.00 21.53 H new ATOM 0 HB2 LEU A 130 6.909 6.164 6.189 1.00 64.51 H new ATOM 0 HB3 LEU A 130 6.937 4.421 6.009 1.00 64.51 H new ATOM 0 HG LEU A 130 4.928 4.503 4.607 1.00 70.24 H new ATOM 0 HD11 LEU A 130 4.034 6.667 3.843 1.00 42.11 H new ATOM 0 HD12 LEU A 130 3.847 6.458 5.601 1.00 42.11 H new ATOM 0 HD13 LEU A 130 5.132 7.510 4.961 1.00 42.11 H new ATOM 0 HD21 LEU A 130 5.930 5.628 2.656 1.00 11.22 H new ATOM 0 HD22 LEU A 130 7.103 6.430 3.727 1.00 11.22 H new ATOM 0 HD23 LEU A 130 7.128 4.660 3.547 1.00 11.22 H new ATOM 1828 N PRO A 131 4.374 6.539 9.031 1.00 24.03 N ATOM 1829 CA PRO A 131 4.027 7.781 9.729 1.00 70.33 C ATOM 1830 C PRO A 131 5.225 8.401 10.439 1.00 0.23 C ATOM 1831 O PRO A 131 5.967 9.191 9.854 1.00 74.23 O ATOM 1832 CB PRO A 131 2.974 7.334 10.746 1.00 24.42 C ATOM 1833 CG PRO A 131 3.263 5.891 10.981 1.00 4.10 C ATOM 1834 CD PRO A 131 3.782 5.355 9.675 1.00 31.34 C ATOM 0 HA PRO A 131 3.675 8.550 9.042 1.00 70.33 H new ATOM 0 HB2 PRO A 131 3.047 7.908 11.670 1.00 24.42 H new ATOM 0 HB3 PRO A 131 1.965 7.478 10.360 1.00 24.42 H new ATOM 0 HG2 PRO A 131 3.999 5.765 11.775 1.00 4.10 H new ATOM 0 HG3 PRO A 131 2.364 5.358 11.292 1.00 4.10 H new ATOM 0 HD2 PRO A 131 4.522 4.569 9.829 1.00 31.34 H new ATOM 0 HD3 PRO A 131 2.983 4.926 9.071 1.00 31.34 H new ATOM 1842 N CYS A 132 5.409 8.039 11.704 1.00 25.14 N ATOM 1843 CA CYS A 132 6.518 8.560 12.496 1.00 74.33 C ATOM 1844 C CYS A 132 7.234 7.434 13.236 1.00 72.31 C ATOM 1845 O CYS A 132 7.173 7.346 14.461 1.00 34.34 O ATOM 1846 CB CYS A 132 6.012 9.602 13.495 1.00 24.35 C ATOM 1847 SG CYS A 132 4.211 9.563 13.764 1.00 71.34 S ATOM 0 H CYS A 132 4.804 7.387 12.203 1.00 25.14 H new ATOM 0 HA CYS A 132 7.228 9.032 11.817 1.00 74.33 H new ATOM 0 HB2 CYS A 132 6.514 9.448 14.450 1.00 24.35 H new ATOM 0 HB3 CYS A 132 6.294 10.594 13.143 1.00 24.35 H new ATOM 1852 N ASN A 133 7.912 6.575 12.482 1.00 45.22 N ATOM 1853 CA ASN A 133 8.640 5.454 13.066 1.00 44.42 C ATOM 1854 C ASN A 133 10.063 5.385 12.518 1.00 34.30 C ATOM 1855 O ASN A 133 10.268 5.273 11.309 1.00 4.34 O ATOM 1856 CB ASN A 133 7.908 4.141 12.783 1.00 1.03 C ATOM 1857 CG ASN A 133 7.609 3.951 11.309 1.00 44.23 C ATOM 1858 OD1 ASN A 133 6.679 4.742 10.787 1.00 74.33 O flip ATOM 1859 ND2 ASN A 133 8.209 3.104 10.647 1.00 11.11 N flip ATOM 0 H ASN A 133 7.973 6.634 11.465 1.00 45.22 H new ATOM 0 HA ASN A 133 8.692 5.608 14.144 1.00 44.42 H new ATOM 0 HB2 ASN A 133 8.513 3.307 13.138 1.00 1.03 H new ATOM 0 HB3 ASN A 133 6.975 4.120 13.346 1.00 1.03 H new ATOM 0 HD21 ASN A 133 8.916 2.518 11.090 1.00 11.11 H new ATOM 0 HD22 ASN A 133 7.999 2.989 9.656 1.00 11.11 H new ATOM 2085 N ASP A 149 9.195 6.588 15.992 1.00 41.31 N ATOM 2086 CA ASP A 149 9.650 7.938 16.305 1.00 54.22 C ATOM 2087 C ASP A 149 8.494 8.932 16.229 1.00 24.33 C ATOM 2088 O ASP A 149 8.291 9.587 15.207 1.00 2.51 O ATOM 2089 CB ASP A 149 10.764 8.359 15.346 1.00 42.23 C ATOM 2090 CG ASP A 149 11.897 9.076 16.054 1.00 52.55 C ATOM 2091 OD1 ASP A 149 12.157 8.757 17.232 1.00 23.55 O ATOM 2092 OD2 ASP A 149 12.523 9.957 15.428 1.00 3.14 O ATOM 0 HA ASP A 149 10.039 7.937 17.323 1.00 54.22 H new ATOM 0 HB2 ASP A 149 11.156 7.477 14.840 1.00 42.23 H new ATOM 0 HB3 ASP A 149 10.350 9.011 14.576 1.00 42.23 H new ATOM 2097 N CYS A 150 7.739 9.037 17.318 1.00 43.03 N ATOM 2098 CA CYS A 150 6.603 9.949 17.375 1.00 22.24 C ATOM 2099 C CYS A 150 6.261 10.301 18.820 1.00 23.14 C ATOM 2100 O CYS A 150 6.743 9.664 19.757 1.00 5.24 O ATOM 2101 CB CYS A 150 5.386 9.325 16.689 1.00 24.24 C ATOM 2102 SG CYS A 150 4.412 10.498 15.693 1.00 60.33 S ATOM 0 H CYS A 150 7.894 8.502 18.172 1.00 43.03 H new ATOM 0 HA CYS A 150 6.877 10.865 16.851 1.00 22.24 H new ATOM 0 HB2 CYS A 150 5.722 8.511 16.047 1.00 24.24 H new ATOM 0 HB3 CYS A 150 4.740 8.886 17.449 1.00 24.24 H new ATOM 2107 N LYS A 151 5.426 11.319 18.993 1.00 15.23 N ATOM 2108 CA LYS A 151 5.016 11.757 20.323 1.00 64.43 C ATOM 2109 C LYS A 151 6.216 11.843 21.260 1.00 24.03 C ATOM 2110 O LYS A 151 6.946 12.835 21.263 1.00 14.54 O ATOM 2111 CB LYS A 151 3.973 10.797 20.899 1.00 23.24 C ATOM 2112 CG LYS A 151 2.544 11.284 20.739 1.00 13.30 C ATOM 2113 CD LYS A 151 2.257 11.712 19.309 1.00 24.23 C ATOM 2114 CE LYS A 151 2.161 13.225 19.189 1.00 74.13 C ATOM 2115 NZ LYS A 151 1.603 13.642 17.872 1.00 22.03 N ATOM 0 H LYS A 151 5.019 11.857 18.228 1.00 15.23 H new ATOM 0 HA LYS A 151 4.576 12.750 20.233 1.00 64.43 H new ATOM 0 HB2 LYS A 151 4.074 9.828 20.410 1.00 23.24 H new ATOM 0 HB3 LYS A 151 4.179 10.643 21.958 1.00 23.24 H new ATOM 0 HG2 LYS A 151 1.854 10.491 21.028 1.00 13.30 H new ATOM 0 HG3 LYS A 151 2.367 12.122 21.413 1.00 13.30 H new ATOM 0 HD2 LYS A 151 3.045 11.343 18.653 1.00 24.23 H new ATOM 0 HD3 LYS A 151 1.324 11.259 18.973 1.00 24.23 H new ATOM 0 HE2 LYS A 151 1.532 13.614 19.990 1.00 74.13 H new ATOM 0 HE3 LYS A 151 3.150 13.663 19.320 1.00 74.13 H new ATOM 0 HZ1 LYS A 151 1.553 14.680 17.829 1.00 22.03 H new ATOM 0 HZ2 LYS A 151 2.217 13.293 17.109 1.00 22.03 H new ATOM 0 HZ3 LYS A 151 0.649 13.245 17.758 1.00 22.03 H new ATOM 2129 N THR A 152 6.418 10.796 22.055 1.00 15.30 N ATOM 2130 CA THR A 152 7.529 10.754 22.997 1.00 61.14 C ATOM 2131 C THR A 152 8.863 10.636 22.268 1.00 52.22 C ATOM 2132 O THR A 152 9.885 10.312 22.873 1.00 10.42 O ATOM 2133 CB THR A 152 7.388 9.576 23.979 1.00 4.23 C ATOM 2134 OG1 THR A 152 7.036 8.384 23.268 1.00 3.22 O ATOM 2135 CG2 THR A 152 6.333 9.874 25.034 1.00 40.24 C ATOM 0 H THR A 152 5.826 9.966 22.065 1.00 15.30 H new ATOM 0 HA THR A 152 7.505 11.689 23.557 1.00 61.14 H new ATOM 0 HB THR A 152 8.346 9.431 24.477 1.00 4.23 H new ATOM 0 HG1 THR A 152 7.485 7.615 23.677 1.00 3.22 H new ATOM 0 HG21 THR A 152 6.251 9.028 25.716 1.00 40.24 H new ATOM 0 HG22 THR A 152 6.619 10.765 25.593 1.00 40.24 H new ATOM 0 HG23 THR A 152 5.372 10.044 24.549 1.00 40.24 H new ATOM 2143 N ILE A 153 8.846 10.902 20.966 1.00 73.40 N ATOM 2144 CA ILE A 153 10.055 10.827 20.156 1.00 61.13 C ATOM 2145 C ILE A 153 11.208 11.572 20.819 1.00 2.13 C ATOM 2146 O ILE A 153 10.996 12.518 21.579 1.00 23.32 O ATOM 2147 CB ILE A 153 9.826 11.407 18.748 1.00 41.43 C ATOM 2148 CG1 ILE A 153 11.135 11.410 17.955 1.00 55.35 C ATOM 2149 CG2 ILE A 153 9.254 12.814 18.841 1.00 10.03 C ATOM 2150 CD1 ILE A 153 11.873 12.729 18.011 1.00 14.54 C ATOM 0 H ILE A 153 8.008 11.171 20.450 1.00 73.40 H new ATOM 0 HA ILE A 153 10.311 9.771 20.068 1.00 61.13 H new ATOM 0 HB ILE A 153 9.107 10.777 18.224 1.00 41.43 H new ATOM 0 HG12 ILE A 153 11.784 10.623 18.339 1.00 55.35 H new ATOM 0 HG13 ILE A 153 10.920 11.167 16.914 1.00 55.35 H new ATOM 0 HG21 ILE A 153 9.098 13.210 17.838 1.00 10.03 H new ATOM 0 HG22 ILE A 153 8.303 12.786 19.372 1.00 10.03 H new ATOM 0 HG23 ILE A 153 9.951 13.455 19.380 1.00 10.03 H new ATOM 0 HD11 ILE A 153 12.791 12.658 17.427 1.00 14.54 H new ATOM 0 HD12 ILE A 153 11.242 13.517 17.600 1.00 14.54 H new ATOM 0 HD13 ILE A 153 12.119 12.964 19.046 1.00 14.54 H new ATOM 2268 N TYR A 162 13.214 14.150 25.297 1.00 74.20 N ATOM 2269 CA TYR A 162 11.859 13.722 25.626 1.00 1.33 C ATOM 2270 C TYR A 162 10.827 14.664 25.014 1.00 14.24 C ATOM 2271 O TYR A 162 10.602 15.767 25.514 1.00 42.33 O ATOM 2272 CB TYR A 162 11.675 13.663 27.144 1.00 64.43 C ATOM 2273 CG TYR A 162 11.938 14.980 27.838 1.00 70.03 C ATOM 2274 CD1 TYR A 162 10.890 15.817 28.202 1.00 70.34 C ATOM 2275 CD2 TYR A 162 13.234 15.389 28.129 1.00 74.53 C ATOM 2276 CE1 TYR A 162 11.125 17.022 28.835 1.00 31.32 C ATOM 2277 CE2 TYR A 162 13.478 16.591 28.763 1.00 32.13 C ATOM 2278 CZ TYR A 162 12.420 17.404 29.114 1.00 4.14 C ATOM 2279 OH TYR A 162 12.660 18.603 29.745 1.00 13.34 O ATOM 0 HA TYR A 162 11.708 12.726 25.209 1.00 1.33 H new ATOM 0 HB2 TYR A 162 10.657 13.342 27.366 1.00 64.43 H new ATOM 0 HB3 TYR A 162 12.344 12.906 27.553 1.00 64.43 H new ATOM 0 HD1 TYR A 162 9.874 15.520 27.986 1.00 70.34 H new ATOM 0 HD2 TYR A 162 14.065 14.756 27.854 1.00 74.53 H new ATOM 0 HE1 TYR A 162 10.299 17.661 29.110 1.00 31.32 H new ATOM 0 HE2 TYR A 162 14.491 16.893 28.983 1.00 32.13 H new ATOM 0 HH TYR A 162 13.625 18.720 29.868 1.00 13.34 H new ATOM 2289 N HIS A 163 10.200 14.220 23.929 1.00 10.34 N ATOM 2290 CA HIS A 163 9.190 15.022 23.248 1.00 15.04 C ATOM 2291 C HIS A 163 7.785 14.556 23.620 1.00 61.33 C ATOM 2292 O HIS A 163 6.823 14.813 22.896 1.00 65.35 O ATOM 2293 CB HIS A 163 9.382 14.944 21.734 1.00 73.34 C ATOM 2294 CG HIS A 163 9.438 16.284 21.067 1.00 64.41 C ATOM 2295 ND1 HIS A 163 10.454 17.190 21.285 1.00 43.23 N ATOM 2296 CD2 HIS A 163 8.598 16.868 20.182 1.00 52.34 C ATOM 2297 CE1 HIS A 163 10.235 18.275 20.564 1.00 42.24 C ATOM 2298 NE2 HIS A 163 9.115 18.105 19.885 1.00 41.23 N ATOM 0 H HIS A 163 10.374 13.310 23.503 1.00 10.34 H new ATOM 0 HA HIS A 163 9.307 16.057 23.568 1.00 15.04 H new ATOM 0 HB2 HIS A 163 10.303 14.402 21.520 1.00 73.34 H new ATOM 0 HB3 HIS A 163 8.565 14.366 21.302 1.00 73.34 H new ATOM 0 HD2 HIS A 163 7.690 16.441 19.783 1.00 52.34 H new ATOM 0 HE1 HIS A 163 10.865 19.152 20.535 1.00 42.24 H new ATOM 0 HE2 HIS A 163 8.701 18.782 19.244 1.00 41.23 H new ATOM 2306 N SER A 164 7.675 13.868 24.752 1.00 10.41 N ATOM 2307 CA SER A 164 6.389 13.362 25.217 1.00 11.21 C ATOM 2308 C SER A 164 5.248 14.254 24.736 1.00 61.41 C ATOM 2309 O SER A 164 5.295 15.475 24.884 1.00 32.01 O ATOM 2310 CB SER A 164 6.373 13.275 26.744 1.00 24.44 C ATOM 2311 OG SER A 164 6.671 14.530 27.330 1.00 2.12 O ATOM 0 H SER A 164 8.461 13.648 25.364 1.00 10.41 H new ATOM 0 HA SER A 164 6.248 12.364 24.802 1.00 11.21 H new ATOM 0 HB2 SER A 164 5.394 12.936 27.082 1.00 24.44 H new ATOM 0 HB3 SER A 164 7.099 12.533 27.077 1.00 24.44 H new ATOM 0 HG SER A 164 6.242 15.243 26.812 1.00 2.12 H new ATOM 2317 N TYR A 165 4.225 13.634 24.159 1.00 73.20 N ATOM 2318 CA TYR A 165 3.072 14.370 23.653 1.00 21.21 C ATOM 2319 C TYR A 165 1.782 13.591 23.890 1.00 53.00 C ATOM 2320 O TYR A 165 1.725 12.709 24.746 1.00 11.45 O ATOM 2321 CB TYR A 165 3.240 14.659 22.160 1.00 30.54 C ATOM 2322 CG TYR A 165 3.054 16.115 21.801 1.00 53.32 C ATOM 2323 CD1 TYR A 165 2.039 16.869 22.378 1.00 52.14 C ATOM 2324 CD2 TYR A 165 3.892 16.738 20.884 1.00 74.41 C ATOM 2325 CE1 TYR A 165 1.864 18.200 22.052 1.00 43.24 C ATOM 2326 CE2 TYR A 165 3.725 18.069 20.553 1.00 24.51 C ATOM 2327 CZ TYR A 165 2.710 18.795 21.139 1.00 4.43 C ATOM 2328 OH TYR A 165 2.541 20.121 20.811 1.00 13.04 O ATOM 0 H TYR A 165 4.170 12.624 24.030 1.00 73.20 H new ATOM 0 HA TYR A 165 3.009 15.314 24.194 1.00 21.21 H new ATOM 0 HB2 TYR A 165 4.234 14.340 21.846 1.00 30.54 H new ATOM 0 HB3 TYR A 165 2.522 14.061 21.600 1.00 30.54 H new ATOM 0 HD1 TYR A 165 1.376 16.406 23.094 1.00 52.14 H new ATOM 0 HD2 TYR A 165 4.687 16.172 20.422 1.00 74.41 H new ATOM 0 HE1 TYR A 165 1.070 18.771 22.509 1.00 43.24 H new ATOM 0 HE2 TYR A 165 4.386 18.538 19.839 1.00 24.51 H new ATOM 0 HH TYR A 165 3.220 20.385 20.155 1.00 13.04 H new ATOM 2338 N GLU A 166 0.748 13.924 23.123 1.00 10.13 N ATOM 2339 CA GLU A 166 -0.542 13.256 23.249 1.00 12.54 C ATOM 2340 C GLU A 166 -0.481 11.843 22.678 1.00 34.21 C ATOM 2341 O GLU A 166 -0.013 11.635 21.560 1.00 65.53 O ATOM 2342 CB GLU A 166 -1.630 14.061 22.534 1.00 22.15 C ATOM 2343 CG GLU A 166 -1.833 13.655 21.084 1.00 1.33 C ATOM 2344 CD GLU A 166 -2.750 14.603 20.336 1.00 11.34 C ATOM 2345 OE1 GLU A 166 -2.509 15.828 20.391 1.00 60.51 O ATOM 2346 OE2 GLU A 166 -3.709 14.122 19.697 1.00 25.42 O ATOM 0 H GLU A 166 0.779 14.652 22.409 1.00 10.13 H new ATOM 0 HA GLU A 166 -0.786 13.190 24.309 1.00 12.54 H new ATOM 0 HB2 GLU A 166 -2.571 13.942 23.071 1.00 22.15 H new ATOM 0 HB3 GLU A 166 -1.372 15.119 22.574 1.00 22.15 H new ATOM 0 HG2 GLU A 166 -0.866 13.619 20.582 1.00 1.33 H new ATOM 0 HG3 GLU A 166 -2.249 12.648 21.047 1.00 1.33 H new ATOM 2353 N GLU A 167 -0.959 10.876 23.455 1.00 24.43 N ATOM 2354 CA GLU A 167 -0.957 9.482 23.027 1.00 31.31 C ATOM 2355 C GLU A 167 -1.425 9.357 21.580 1.00 32.51 C ATOM 2356 O GLU A 167 -2.604 9.117 21.316 1.00 3.42 O ATOM 2357 CB GLU A 167 -1.855 8.644 23.940 1.00 72.35 C ATOM 2358 CG GLU A 167 -1.971 7.190 23.511 1.00 12.54 C ATOM 2359 CD GLU A 167 -1.344 6.236 24.509 1.00 2.51 C ATOM 2360 OE1 GLU A 167 -1.959 5.187 24.793 1.00 64.12 O ATOM 2361 OE2 GLU A 167 -0.239 6.539 25.006 1.00 31.03 O ATOM 0 H GLU A 167 -1.352 11.032 24.383 1.00 24.43 H new ATOM 0 HA GLU A 167 0.065 9.109 23.093 1.00 31.31 H new ATOM 0 HB2 GLU A 167 -1.464 8.684 24.957 1.00 72.35 H new ATOM 0 HB3 GLU A 167 -2.850 9.088 23.964 1.00 72.35 H new ATOM 0 HG2 GLU A 167 -3.023 6.936 23.382 1.00 12.54 H new ATOM 0 HG3 GLU A 167 -1.491 7.062 22.541 1.00 12.54 H new ATOM 2368 N ASP A 168 -0.494 9.520 20.647 1.00 1.41 N ATOM 2369 CA ASP A 168 -0.810 9.426 19.227 1.00 64.44 C ATOM 2370 C ASP A 168 0.452 9.181 18.405 1.00 40.14 C ATOM 2371 O ASP A 168 1.525 8.937 18.954 1.00 64.21 O ATOM 2372 CB ASP A 168 -1.504 10.702 18.750 1.00 11.43 C ATOM 2373 CG ASP A 168 -2.816 10.419 18.045 1.00 43.33 C ATOM 2374 OD1 ASP A 168 -3.795 10.063 18.733 1.00 53.11 O ATOM 2375 OD2 ASP A 168 -2.863 10.555 16.804 1.00 21.24 O ATOM 0 H ASP A 168 0.486 9.718 20.849 1.00 1.41 H new ATOM 0 HA ASP A 168 -1.485 8.581 19.086 1.00 64.44 H new ATOM 0 HB2 ASP A 168 -1.687 11.353 19.604 1.00 11.43 H new ATOM 0 HB3 ASP A 168 -0.841 11.242 18.074 1.00 11.43 H new ATOM 2380 N GLY A 169 0.314 9.248 17.084 1.00 61.42 N ATOM 2381 CA GLY A 169 1.450 9.030 16.207 1.00 21.14 C ATOM 2382 C GLY A 169 1.155 8.021 15.115 1.00 10.03 C ATOM 2383 O GLY A 169 0.265 8.230 14.291 1.00 42.34 O ATOM 0 H GLY A 169 -0.564 9.449 16.606 1.00 61.42 H new ATOM 0 HA2 GLY A 169 1.741 9.977 15.753 1.00 21.14 H new ATOM 0 HA3 GLY A 169 2.299 8.685 16.797 1.00 21.14 H new