USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, 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 162 TYR OH : rot 180:sc= 0.0178 USER MOD Set 1.2: A 165 TYR OH : rot 63:sc= 0.02 USER MOD Set 2.1: A 151 LYS NZ :NH3+ -137:sc= 0 (180deg=-1.63!) USER MOD Set 2.2: A 152 THR OG1 : rot 160:sc= -2.12 USER MOD Set 3.1: A 123 CYS SG : rot -23:sc= 0.538 USER MOD Set 3.2: A 127 CYS SG : rot 180:sc= 0.392 USER MOD Set 3.3: A 132 CYS SG : rot -141:sc= -20.8! USER MOD Set 3.4: A 150 CYS SG : rot -127:sc= -20.7! USER MOD Set 4.1: A 69 HIS : no HD1:sc= -3.99! C(o=-4.4!,f=-5.8!) USER MOD Set 4.2: A 125 CYS SG : rot 65:sc= -0.422 USER MOD Set 5.1: A 71 CYS SG : rot -180:sc= 0.473 USER MOD Set 5.2: A 88 CYS SG : rot -127:sc= 0.269 USER MOD Set 6.1: A 85 HIS : no HE2:sc= 0.442 K(o=0.28,f=-6.7!) USER MOD Set 6.2: A 86 CYS SG : rot 180:sc= -0.159 USER MOD Set 7.1: A 25 CYS SG : rot 74:sc= 0.245 USER MOD Set 7.2: A 45 HIS : no HE2:sc= -0.931 K(o=-0.69,f=-7.4!) USER MOD Set 8.1: A 17 HIS : no HD1:sc= -5.4 K(o=-9.8,f=-12!) USER MOD Set 8.2: A 21 ASN :FLIP amide:sc= -4.53! C(o=-11!,f=-9.8!) USER MOD Set 8.3: A 74 CYS SG : rot 17:sc= 0.112 USER MOD Single : A 18 CYS SG : rot -142:sc= -1.52 USER MOD Single : A 24 ASN : amide:sc= -1.44 K(o=-1.4,f=-3.3!) USER MOD Single : A 26 SER OG : rot 47:sc= 0.578 USER MOD Single : A 27 CYS SG : rot 180:sc= -1.03 USER MOD Single : A 28 ASN : amide:sc= -0.126 X(o=-0.13,f=0) USER MOD Single : A 29 CYS SG : rot -41:sc= 0.129 USER MOD Single : A 37 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0196) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -2.51 X(o=-2.5,f=-2.3) USER MOD Single : A 54 ASN :FLIP amide:sc= -1.35 F(o=-5.1!,f=-1.3) USER MOD Single : A 65 CYS SG : rot 176:sc= -0.132 USER MOD Single : A 66 ASN :FLIP amide:sc= 0 F(o=-0.76,f=0) USER MOD Single : A 72 HIS : no HD1:sc= -3.59 K(o=-3.6,f=-5!) USER MOD Single : A 73 HIS : no HD1:sc= -0.549 X(o=-0.55,f=-0.93) USER MOD Single : A 75 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-2.6) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.0832 X(o=-0.083,f=-0.37) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 68:sc= 0.569 USER MOD Single : A 99 THR OG1 : rot 66:sc= -0.287 USER MOD Single : A 100 HIS : no HD1:sc= -3.28 X(o=-3.3,f=-3!) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.0331 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 112 CYS SG : rot 79:sc= 0.158 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN : amide:sc= -1.92 K(o=-1.9,f=-8.5!) USER MOD Single : A 163 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 164 SER OG : rot 180:sc= -0.0311 USER MOD ----------------------------------------------------------------- ATOM 216 N HIS A 17 0.492 -4.357 8.539 1.00 41.01 N ATOM 217 CA HIS A 17 1.232 -4.950 9.647 1.00 0.23 C ATOM 218 C HIS A 17 2.722 -4.645 9.530 1.00 24.21 C ATOM 219 O HIS A 17 3.220 -4.340 8.446 1.00 40.14 O ATOM 220 CB HIS A 17 1.010 -6.462 9.685 1.00 21.14 C ATOM 221 CG HIS A 17 0.693 -6.987 11.052 1.00 41.40 C ATOM 222 ND1 HIS A 17 0.916 -6.265 12.206 1.00 63.04 N ATOM 223 CD2 HIS A 17 0.165 -8.169 11.446 1.00 61.11 C ATOM 224 CE1 HIS A 17 0.541 -6.982 13.250 1.00 0.41 C ATOM 225 NE2 HIS A 17 0.081 -8.141 12.816 1.00 20.22 N ATOM 0 HA HIS A 17 0.862 -4.513 10.574 1.00 0.23 H new ATOM 0 HB2 HIS A 17 0.195 -6.718 9.008 1.00 21.14 H new ATOM 0 HB3 HIS A 17 1.904 -6.962 9.311 1.00 21.14 H new ATOM 0 HD2 HIS A 17 -0.135 -8.983 10.802 1.00 61.11 H new ATOM 0 HE1 HIS A 17 0.601 -6.673 14.283 1.00 0.41 H new ATOM 0 HE2 HIS A 17 -0.278 -8.893 13.403 1.00 20.22 H new ATOM 233 N CYS A 18 3.428 -4.729 10.652 1.00 24.51 N ATOM 234 CA CYS A 18 4.862 -4.461 10.675 1.00 30.34 C ATOM 235 C CYS A 18 5.411 -4.560 12.095 1.00 15.02 C ATOM 236 O CYS A 18 4.808 -5.195 12.961 1.00 3.43 O ATOM 237 CB CYS A 18 5.152 -3.075 10.099 1.00 51.31 C ATOM 238 SG CYS A 18 6.628 -3.002 9.058 1.00 64.12 S ATOM 0 H CYS A 18 3.031 -4.980 11.557 1.00 24.51 H new ATOM 0 HA CYS A 18 5.357 -5.213 10.060 1.00 30.34 H new ATOM 0 HB2 CYS A 18 4.292 -2.749 9.514 1.00 51.31 H new ATOM 0 HB3 CYS A 18 5.265 -2.368 10.921 1.00 51.31 H new ATOM 0 HG CYS A 18 7.248 -1.878 9.262 1.00 64.12 H new ATOM 244 N ASP A 19 6.557 -3.930 12.326 1.00 50.22 N ATOM 245 CA ASP A 19 7.188 -3.947 13.641 1.00 52.15 C ATOM 246 C ASP A 19 7.463 -5.378 14.092 1.00 4.45 C ATOM 247 O ASP A 19 8.368 -6.037 13.582 1.00 43.12 O ATOM 248 CB ASP A 19 6.301 -3.237 14.665 1.00 72.23 C ATOM 249 CG ASP A 19 6.419 -1.728 14.586 1.00 52.13 C ATOM 250 OD1 ASP A 19 6.652 -1.208 13.474 1.00 12.01 O ATOM 251 OD2 ASP A 19 6.277 -1.066 15.635 1.00 24.42 O ATOM 0 H ASP A 19 7.069 -3.401 11.620 1.00 50.22 H new ATOM 0 HA ASP A 19 8.139 -3.419 13.568 1.00 52.15 H new ATOM 0 HB2 ASP A 19 5.262 -3.526 14.504 1.00 72.23 H new ATOM 0 HB3 ASP A 19 6.572 -3.568 15.668 1.00 72.23 H new ATOM 256 N ALA A 20 6.677 -5.851 15.054 1.00 4.20 N ATOM 257 CA ALA A 20 6.836 -7.203 15.574 1.00 21.21 C ATOM 258 C ALA A 20 6.861 -8.227 14.444 1.00 53.41 C ATOM 259 O ALA A 20 7.707 -9.119 14.421 1.00 73.41 O ATOM 260 CB ALA A 20 5.720 -7.525 16.556 1.00 34.32 C ATOM 0 H ALA A 20 5.924 -5.318 15.489 1.00 4.20 H new ATOM 0 HA ALA A 20 7.791 -7.255 16.097 1.00 21.21 H new ATOM 0 HB1 ALA A 20 5.851 -8.538 16.937 1.00 34.32 H new ATOM 0 HB2 ALA A 20 5.750 -6.819 17.386 1.00 34.32 H new ATOM 0 HB3 ALA A 20 4.757 -7.449 16.050 1.00 34.32 H new ATOM 266 N ASN A 21 5.926 -8.091 13.508 1.00 5.33 N ATOM 267 CA ASN A 21 5.841 -9.005 12.375 1.00 33.14 C ATOM 268 C ASN A 21 6.573 -8.439 11.163 1.00 51.34 C ATOM 269 O ASN A 21 7.029 -9.183 10.296 1.00 73.51 O ATOM 270 CB ASN A 21 4.377 -9.275 12.021 1.00 30.31 C ATOM 271 CG ASN A 21 3.416 -8.518 12.917 1.00 50.10 C ATOM 272 OD1 ASN A 21 3.565 -7.199 12.963 1.00 12.34 O flip ATOM 273 ND2 ASN A 21 2.550 -9.112 13.559 1.00 21.12 N flip ATOM 0 H ASN A 21 5.218 -7.357 13.512 1.00 5.33 H new ATOM 0 HA ASN A 21 6.319 -9.943 12.659 1.00 33.14 H new ATOM 0 HB2 ASN A 21 4.199 -8.994 10.983 1.00 30.31 H new ATOM 0 HB3 ASN A 21 4.178 -10.344 12.100 1.00 30.31 H new ATOM 0 HD21 ASN A 21 2.472 -10.127 13.493 1.00 21.12 H new ATOM 0 HD22 ASN A 21 1.910 -8.589 14.157 1.00 21.12 H new ATOM 280 N GLY A 22 6.682 -7.115 11.109 1.00 41.40 N ATOM 281 CA GLY A 22 7.360 -6.471 9.999 1.00 2.42 C ATOM 282 C GLY A 22 8.824 -6.854 9.913 1.00 2.21 C ATOM 283 O GLY A 22 9.427 -6.788 8.842 1.00 20.25 O ATOM 0 H GLY A 22 6.313 -6.477 11.814 1.00 41.40 H new ATOM 0 HA2 GLY A 22 6.862 -6.740 9.068 1.00 2.42 H new ATOM 0 HA3 GLY A 22 7.276 -5.389 10.104 1.00 2.42 H new ATOM 287 N GLU A 23 9.397 -7.253 11.044 1.00 23.32 N ATOM 288 CA GLU A 23 10.801 -7.646 11.091 1.00 11.33 C ATOM 289 C GLU A 23 10.938 -9.154 11.279 1.00 2.12 C ATOM 290 O GLU A 23 11.879 -9.769 10.780 1.00 5.11 O ATOM 291 CB GLU A 23 11.521 -6.912 12.225 1.00 52.13 C ATOM 292 CG GLU A 23 11.277 -5.412 12.230 1.00 24.10 C ATOM 293 CD GLU A 23 11.606 -4.763 10.899 1.00 35.24 C ATOM 294 OE1 GLU A 23 12.631 -5.139 10.294 1.00 43.31 O ATOM 295 OE2 GLU A 23 10.838 -3.880 10.464 1.00 75.32 O ATOM 0 H GLU A 23 8.912 -7.313 11.939 1.00 23.32 H new ATOM 0 HA GLU A 23 11.260 -7.373 10.141 1.00 11.33 H new ATOM 0 HB2 GLU A 23 11.197 -7.328 13.179 1.00 52.13 H new ATOM 0 HB3 GLU A 23 12.592 -7.097 12.144 1.00 52.13 H new ATOM 0 HG2 GLU A 23 10.233 -5.218 12.476 1.00 24.10 H new ATOM 0 HG3 GLU A 23 11.880 -4.952 13.013 1.00 24.10 H new ATOM 302 N ASN A 24 9.992 -9.743 12.003 1.00 10.45 N ATOM 303 CA ASN A 24 10.007 -11.178 12.259 1.00 63.41 C ATOM 304 C ASN A 24 9.592 -11.957 11.014 1.00 12.23 C ATOM 305 O ASN A 24 10.136 -13.024 10.727 1.00 55.22 O ATOM 306 CB ASN A 24 9.075 -11.520 13.423 1.00 71.32 C ATOM 307 CG ASN A 24 9.630 -11.069 14.760 1.00 30.31 C ATOM 308 OD1 ASN A 24 10.137 -9.955 14.890 1.00 12.13 O ATOM 309 ND2 ASN A 24 9.537 -11.936 15.762 1.00 53.11 N ATOM 0 H ASN A 24 9.205 -9.248 12.423 1.00 10.45 H new ATOM 0 HA ASN A 24 11.025 -11.464 12.522 1.00 63.41 H new ATOM 0 HB2 ASN A 24 8.105 -11.050 13.258 1.00 71.32 H new ATOM 0 HB3 ASN A 24 8.908 -12.597 13.447 1.00 71.32 H new ATOM 0 HD21 ASN A 24 9.894 -11.689 16.685 1.00 53.11 H new ATOM 0 HD22 ASN A 24 9.109 -12.849 15.608 1.00 53.11 H new ATOM 316 N CYS A 25 8.626 -11.416 10.280 1.00 42.31 N ATOM 317 CA CYS A 25 8.137 -12.059 9.066 1.00 63.23 C ATOM 318 C CYS A 25 7.913 -11.034 7.959 1.00 3.42 C ATOM 319 O CYS A 25 6.894 -11.062 7.270 1.00 15.53 O ATOM 320 CB CYS A 25 6.837 -12.812 9.351 1.00 71.02 C ATOM 321 SG CYS A 25 6.288 -13.876 7.996 1.00 54.00 S ATOM 0 H CYS A 25 8.166 -10.534 10.504 1.00 42.31 H new ATOM 0 HA CYS A 25 8.894 -12.769 8.731 1.00 63.23 H new ATOM 0 HB2 CYS A 25 6.971 -13.421 10.245 1.00 71.02 H new ATOM 0 HB3 CYS A 25 6.052 -12.089 9.572 1.00 71.02 H new ATOM 0 HG CYS A 25 7.046 -14.931 7.938 1.00 54.00 H new ATOM 327 N SER A 26 8.872 -10.128 7.796 1.00 65.02 N ATOM 328 CA SER A 26 8.778 -9.089 6.777 1.00 74.43 C ATOM 329 C SER A 26 7.464 -9.200 6.009 1.00 61.55 C ATOM 330 O SER A 26 7.368 -9.935 5.025 1.00 51.15 O ATOM 331 CB SER A 26 9.958 -9.186 5.808 1.00 73.50 C ATOM 332 OG SER A 26 10.046 -10.482 5.240 1.00 50.32 O ATOM 0 H SER A 26 9.723 -10.093 8.357 1.00 65.02 H new ATOM 0 HA SER A 26 8.807 -8.121 7.277 1.00 74.43 H new ATOM 0 HB2 SER A 26 9.844 -8.445 5.016 1.00 73.50 H new ATOM 0 HB3 SER A 26 10.884 -8.952 6.333 1.00 73.50 H new ATOM 0 HG SER A 26 9.161 -10.763 4.927 1.00 50.32 H new ATOM 338 N CYS A 27 6.455 -8.467 6.465 1.00 4.31 N ATOM 339 CA CYS A 27 5.146 -8.482 5.822 1.00 21.33 C ATOM 340 C CYS A 27 4.611 -7.065 5.644 1.00 62.24 C ATOM 341 O CYS A 27 5.097 -6.124 6.270 1.00 72.40 O ATOM 342 CB CYS A 27 4.160 -9.312 6.646 1.00 65.40 C ATOM 343 SG CYS A 27 3.831 -8.646 8.294 1.00 12.30 S ATOM 0 H CYS A 27 6.518 -7.854 7.278 1.00 4.31 H new ATOM 0 HA CYS A 27 5.258 -8.935 4.837 1.00 21.33 H new ATOM 0 HB2 CYS A 27 3.219 -9.385 6.101 1.00 65.40 H new ATOM 0 HB3 CYS A 27 4.550 -10.325 6.746 1.00 65.40 H new ATOM 0 HG CYS A 27 2.985 -9.415 8.912 1.00 12.30 H new ATOM 349 N ASN A 28 3.609 -6.921 4.783 1.00 53.10 N ATOM 350 CA ASN A 28 3.009 -5.618 4.520 1.00 40.23 C ATOM 351 C ASN A 28 1.488 -5.720 4.465 1.00 33.04 C ATOM 352 O ASN A 28 0.883 -5.576 3.402 1.00 23.10 O ATOM 353 CB ASN A 28 3.540 -5.045 3.204 1.00 22.21 C ATOM 354 CG ASN A 28 4.360 -6.054 2.423 1.00 33.53 C ATOM 355 OD1 ASN A 28 3.854 -6.709 1.511 1.00 2.14 O ATOM 356 ND2 ASN A 28 5.632 -6.185 2.779 1.00 4.02 N ATOM 0 H ASN A 28 3.196 -7.690 4.256 1.00 53.10 H new ATOM 0 HA ASN A 28 3.281 -4.949 5.337 1.00 40.23 H new ATOM 0 HB2 ASN A 28 2.702 -4.710 2.592 1.00 22.21 H new ATOM 0 HB3 ASN A 28 4.152 -4.168 3.414 1.00 22.21 H new ATOM 0 HD21 ASN A 28 6.232 -6.849 2.291 1.00 4.02 H new ATOM 0 HD22 ASN A 28 6.009 -5.621 3.541 1.00 4.02 H new ATOM 363 N CYS A 29 0.876 -5.969 5.618 1.00 53.52 N ATOM 364 CA CYS A 29 -0.575 -6.090 5.702 1.00 34.22 C ATOM 365 C CYS A 29 -1.012 -6.415 7.127 1.00 61.40 C ATOM 366 O CYS A 29 -0.697 -7.482 7.654 1.00 1.32 O ATOM 367 CB CYS A 29 -1.074 -7.173 4.744 1.00 42.44 C ATOM 368 SG CYS A 29 -2.357 -8.240 5.438 1.00 32.04 S ATOM 0 H CYS A 29 1.362 -6.091 6.507 1.00 53.52 H new ATOM 0 HA CYS A 29 -1.011 -5.133 5.416 1.00 34.22 H new ATOM 0 HB2 CYS A 29 -1.461 -6.696 3.844 1.00 42.44 H new ATOM 0 HB3 CYS A 29 -0.229 -7.790 4.439 1.00 42.44 H new ATOM 0 HG CYS A 29 -2.067 -8.519 6.674 1.00 32.04 H new ATOM 374 N GLU A 30 -1.737 -5.488 7.745 1.00 71.15 N ATOM 375 CA GLU A 30 -2.214 -5.676 9.110 1.00 71.14 C ATOM 376 C GLU A 30 -3.159 -6.871 9.196 1.00 73.11 C ATOM 377 O GLU A 30 -4.346 -6.762 8.885 1.00 72.20 O ATOM 378 CB GLU A 30 -2.924 -4.414 9.604 1.00 42.11 C ATOM 379 CG GLU A 30 -3.754 -4.634 10.857 1.00 13.21 C ATOM 380 CD GLU A 30 -5.239 -4.727 10.564 1.00 32.30 C ATOM 381 OE1 GLU A 30 -5.851 -5.754 10.927 1.00 53.30 O ATOM 382 OE2 GLU A 30 -5.789 -3.775 9.972 1.00 62.20 O ATOM 0 H GLU A 30 -2.007 -4.600 7.322 1.00 71.15 H new ATOM 0 HA GLU A 30 -1.350 -5.871 9.746 1.00 71.14 H new ATOM 0 HB2 GLU A 30 -2.180 -3.643 9.802 1.00 42.11 H new ATOM 0 HB3 GLU A 30 -3.571 -4.037 8.812 1.00 42.11 H new ATOM 0 HG2 GLU A 30 -3.426 -5.550 11.349 1.00 13.21 H new ATOM 0 HG3 GLU A 30 -3.576 -3.816 11.555 1.00 13.21 H new ATOM 389 N LEU A 31 -2.625 -8.011 9.619 1.00 23.05 N ATOM 390 CA LEU A 31 -3.419 -9.228 9.747 1.00 52.13 C ATOM 391 C LEU A 31 -2.861 -10.130 10.842 1.00 32.45 C ATOM 392 O LEU A 31 -1.733 -10.614 10.748 1.00 31.40 O ATOM 393 CB LEU A 31 -3.450 -9.982 8.416 1.00 54.40 C ATOM 394 CG LEU A 31 -4.357 -11.212 8.363 1.00 41.15 C ATOM 395 CD1 LEU A 31 -5.801 -10.823 8.638 1.00 71.13 C ATOM 396 CD2 LEU A 31 -4.237 -11.904 7.013 1.00 60.42 C ATOM 0 H LEU A 31 -1.645 -8.118 9.879 1.00 23.05 H new ATOM 0 HA LEU A 31 -4.435 -8.942 10.020 1.00 52.13 H new ATOM 0 HB2 LEU A 31 -3.765 -9.289 7.636 1.00 54.40 H new ATOM 0 HB3 LEU A 31 -2.434 -10.294 8.174 1.00 54.40 H new ATOM 0 HG LEU A 31 -4.037 -11.910 9.137 1.00 41.15 H new ATOM 0 HD11 LEU A 31 -6.431 -11.711 8.596 1.00 71.13 H new ATOM 0 HD12 LEU A 31 -5.874 -10.372 9.628 1.00 71.13 H new ATOM 0 HD13 LEU A 31 -6.134 -10.106 7.888 1.00 71.13 H new ATOM 0 HD21 LEU A 31 -4.889 -12.777 6.993 1.00 60.42 H new ATOM 0 HD22 LEU A 31 -4.531 -11.213 6.223 1.00 60.42 H new ATOM 0 HD23 LEU A 31 -3.205 -12.218 6.856 1.00 60.42 H new ATOM 408 N PHE A 32 -3.660 -10.355 11.881 1.00 45.41 N ATOM 409 CA PHE A 32 -3.246 -11.200 12.995 1.00 71.34 C ATOM 410 C PHE A 32 -2.976 -12.626 12.523 1.00 33.45 C ATOM 411 O PHE A 32 -3.905 -13.401 12.292 1.00 64.21 O ATOM 412 CB PHE A 32 -4.320 -11.206 14.085 1.00 41.24 C ATOM 413 CG PHE A 32 -5.677 -11.615 13.587 1.00 23.33 C ATOM 414 CD1 PHE A 32 -6.116 -12.922 13.730 1.00 53.51 C ATOM 415 CD2 PHE A 32 -6.512 -10.694 12.977 1.00 74.13 C ATOM 416 CE1 PHE A 32 -7.364 -13.302 13.274 1.00 55.42 C ATOM 417 CE2 PHE A 32 -7.762 -11.068 12.519 1.00 23.21 C ATOM 418 CZ PHE A 32 -8.188 -12.374 12.667 1.00 42.24 C ATOM 0 H PHE A 32 -4.597 -9.964 11.974 1.00 45.41 H new ATOM 0 HA PHE A 32 -2.323 -10.791 13.407 1.00 71.34 H new ATOM 0 HB2 PHE A 32 -4.014 -11.885 14.881 1.00 41.24 H new ATOM 0 HB3 PHE A 32 -4.387 -10.210 14.523 1.00 41.24 H new ATOM 0 HD1 PHE A 32 -5.476 -13.652 14.203 1.00 53.51 H new ATOM 0 HD2 PHE A 32 -6.183 -9.672 12.858 1.00 74.13 H new ATOM 0 HE1 PHE A 32 -7.695 -14.323 13.392 1.00 55.42 H new ATOM 0 HE2 PHE A 32 -8.405 -10.340 12.046 1.00 23.21 H new ATOM 0 HZ PHE A 32 -9.163 -12.669 12.309 1.00 42.24 H new ATOM 428 N ASP A 33 -1.699 -12.965 12.384 1.00 75.15 N ATOM 429 CA ASP A 33 -1.306 -14.298 11.941 1.00 40.44 C ATOM 430 C ASP A 33 -0.267 -14.898 12.882 1.00 21.52 C ATOM 431 O ASP A 33 0.258 -14.215 13.762 1.00 62.22 O ATOM 432 CB ASP A 33 -0.750 -14.242 10.517 1.00 52.42 C ATOM 433 CG ASP A 33 -1.094 -15.480 9.712 1.00 2.31 C ATOM 434 OD1 ASP A 33 -2.260 -15.922 9.773 1.00 72.52 O ATOM 435 OD2 ASP A 33 -0.197 -16.005 9.021 1.00 63.32 O ATOM 0 H ASP A 33 -0.919 -12.336 12.572 1.00 75.15 H new ATOM 0 HA ASP A 33 -2.191 -14.934 11.952 1.00 40.44 H new ATOM 0 HB2 ASP A 33 -1.145 -13.361 10.010 1.00 52.42 H new ATOM 0 HB3 ASP A 33 0.333 -14.128 10.557 1.00 52.42 H new ATOM 440 N CYS A 34 0.025 -16.181 12.692 1.00 14.14 N ATOM 441 CA CYS A 34 0.999 -16.875 13.525 1.00 63.41 C ATOM 442 C CYS A 34 1.392 -18.212 12.902 1.00 22.03 C ATOM 443 O CYS A 34 0.545 -19.074 12.674 1.00 75.13 O ATOM 444 CB CYS A 34 0.434 -17.101 14.929 1.00 52.34 C ATOM 445 SG CYS A 34 1.410 -18.253 15.947 1.00 30.12 S ATOM 0 H CYS A 34 -0.400 -16.761 11.968 1.00 14.14 H new ATOM 0 HA CYS A 34 1.889 -16.250 13.596 1.00 63.41 H new ATOM 0 HB2 CYS A 34 0.372 -16.142 15.443 1.00 52.34 H new ATOM 0 HB3 CYS A 34 -0.584 -17.482 14.842 1.00 52.34 H new ATOM 450 N GLU A 35 2.683 -18.376 12.631 1.00 4.43 N ATOM 451 CA GLU A 35 3.188 -19.607 12.035 1.00 41.21 C ATOM 452 C GLU A 35 4.698 -19.531 11.825 1.00 13.22 C ATOM 453 O GLU A 35 5.174 -18.873 10.901 1.00 42.31 O ATOM 454 CB GLU A 35 2.490 -19.877 10.700 1.00 13.25 C ATOM 455 CG GLU A 35 2.375 -18.648 9.814 1.00 63.32 C ATOM 456 CD GLU A 35 2.223 -19.000 8.347 1.00 43.24 C ATOM 457 OE1 GLU A 35 2.582 -20.135 7.969 1.00 44.11 O ATOM 458 OE2 GLU A 35 1.746 -18.141 7.576 1.00 10.24 O ATOM 0 H GLU A 35 3.398 -17.672 12.815 1.00 4.43 H new ATOM 0 HA GLU A 35 2.975 -20.427 12.721 1.00 41.21 H new ATOM 0 HB2 GLU A 35 3.038 -20.652 10.163 1.00 13.25 H new ATOM 0 HB3 GLU A 35 1.492 -20.269 10.894 1.00 13.25 H new ATOM 0 HG2 GLU A 35 1.518 -18.054 10.132 1.00 63.32 H new ATOM 0 HG3 GLU A 35 3.260 -18.026 9.945 1.00 63.32 H new ATOM 465 N ALA A 36 5.444 -20.209 12.691 1.00 42.32 N ATOM 466 CA ALA A 36 6.899 -20.220 12.600 1.00 10.33 C ATOM 467 C ALA A 36 7.362 -20.802 11.269 1.00 11.30 C ATOM 468 O ALA A 36 6.960 -21.901 10.886 1.00 12.34 O ATOM 469 CB ALA A 36 7.494 -21.007 13.758 1.00 32.42 C ATOM 0 H ALA A 36 5.065 -20.757 13.463 1.00 42.32 H new ATOM 0 HA ALA A 36 7.250 -19.189 12.657 1.00 10.33 H new ATOM 0 HB1 ALA A 36 8.581 -21.007 13.677 1.00 32.42 H new ATOM 0 HB2 ALA A 36 7.200 -20.546 14.701 1.00 32.42 H new ATOM 0 HB3 ALA A 36 7.128 -22.033 13.727 1.00 32.42 H new ATOM 475 N LYS A 37 8.209 -20.058 10.566 1.00 1.30 N ATOM 476 CA LYS A 37 8.728 -20.499 9.277 1.00 71.21 C ATOM 477 C LYS A 37 10.213 -20.174 9.148 1.00 74.22 C ATOM 478 O LYS A 37 10.731 -19.302 9.845 1.00 20.14 O ATOM 479 CB LYS A 37 7.949 -19.838 8.137 1.00 23.41 C ATOM 480 CG LYS A 37 7.605 -20.790 7.004 1.00 44.40 C ATOM 481 CD LYS A 37 6.268 -21.472 7.236 1.00 71.44 C ATOM 482 CE LYS A 37 5.481 -21.610 5.941 1.00 13.24 C ATOM 483 NZ LYS A 37 6.191 -22.462 4.948 1.00 42.21 N ATOM 0 H LYS A 37 8.551 -19.146 10.868 1.00 1.30 H new ATOM 0 HA LYS A 37 8.604 -21.580 9.214 1.00 71.21 H new ATOM 0 HB2 LYS A 37 7.028 -19.413 8.536 1.00 23.41 H new ATOM 0 HB3 LYS A 37 8.536 -19.010 7.739 1.00 23.41 H new ATOM 0 HG2 LYS A 37 7.576 -20.241 6.063 1.00 44.40 H new ATOM 0 HG3 LYS A 37 8.387 -21.543 6.910 1.00 44.40 H new ATOM 0 HD2 LYS A 37 6.432 -22.458 7.670 1.00 71.44 H new ATOM 0 HD3 LYS A 37 5.686 -20.899 7.957 1.00 71.44 H new ATOM 0 HE2 LYS A 37 4.503 -22.040 6.155 1.00 13.24 H new ATOM 0 HE3 LYS A 37 5.308 -20.622 5.514 1.00 13.24 H new ATOM 0 HZ1 LYS A 37 5.593 -22.587 4.107 1.00 42.21 H new ATOM 0 HZ2 LYS A 37 7.084 -22.004 4.673 1.00 42.21 H new ATOM 0 HZ3 LYS A 37 6.394 -23.391 5.369 1.00 42.21 H new ATOM 497 N LYS A 38 10.892 -20.880 8.250 1.00 2.12 N ATOM 498 CA LYS A 38 12.317 -20.665 8.027 1.00 71.23 C ATOM 499 C LYS A 38 12.589 -20.288 6.574 1.00 1.41 C ATOM 500 O LYS A 38 12.368 -21.073 5.652 1.00 50.53 O ATOM 501 CB LYS A 38 13.107 -21.923 8.394 1.00 21.14 C ATOM 502 CG LYS A 38 13.222 -22.923 7.257 1.00 21.31 C ATOM 503 CD LYS A 38 13.860 -24.222 7.719 1.00 24.43 C ATOM 504 CE LYS A 38 15.239 -24.415 7.107 1.00 44.51 C ATOM 505 NZ LYS A 38 15.215 -25.386 5.979 1.00 52.04 N ATOM 0 H LYS A 38 10.478 -21.606 7.665 1.00 2.12 H new ATOM 0 HA LYS A 38 12.639 -19.842 8.665 1.00 71.23 H new ATOM 0 HB2 LYS A 38 14.108 -21.633 8.714 1.00 21.14 H new ATOM 0 HB3 LYS A 38 12.628 -22.407 9.245 1.00 21.14 H new ATOM 0 HG2 LYS A 38 12.232 -23.128 6.850 1.00 21.31 H new ATOM 0 HG3 LYS A 38 13.815 -22.492 6.451 1.00 21.31 H new ATOM 0 HD2 LYS A 38 13.940 -24.223 8.806 1.00 24.43 H new ATOM 0 HD3 LYS A 38 13.219 -25.060 7.446 1.00 24.43 H new ATOM 0 HE2 LYS A 38 15.616 -23.456 6.752 1.00 44.51 H new ATOM 0 HE3 LYS A 38 15.930 -24.766 7.873 1.00 44.51 H new ATOM 0 HZ1 LYS A 38 16.174 -25.489 5.589 1.00 52.04 H new ATOM 0 HZ2 LYS A 38 14.879 -26.309 6.322 1.00 52.04 H new ATOM 0 HZ3 LYS A 38 14.575 -25.039 5.236 1.00 52.04 H new ATOM 519 N PRO A 39 13.082 -19.058 6.364 1.00 53.13 N ATOM 520 CA PRO A 39 13.397 -18.550 5.025 1.00 14.43 C ATOM 521 C PRO A 39 14.606 -19.246 4.410 1.00 11.25 C ATOM 522 O PRO A 39 14.654 -19.476 3.202 1.00 74.10 O ATOM 523 CB PRO A 39 13.699 -17.069 5.270 1.00 20.22 C ATOM 524 CG PRO A 39 14.143 -17.003 6.691 1.00 63.34 C ATOM 525 CD PRO A 39 13.370 -18.069 7.416 1.00 31.33 C ATOM 0 HA PRO A 39 12.583 -18.723 4.321 1.00 14.43 H new ATOM 0 HB2 PRO A 39 14.475 -16.706 4.596 1.00 20.22 H new ATOM 0 HB3 PRO A 39 12.816 -16.452 5.102 1.00 20.22 H new ATOM 0 HG2 PRO A 39 15.216 -17.175 6.773 1.00 63.34 H new ATOM 0 HG3 PRO A 39 13.945 -16.019 7.117 1.00 63.34 H new ATOM 0 HD2 PRO A 39 13.952 -18.505 8.228 1.00 31.33 H new ATOM 0 HD3 PRO A 39 12.455 -17.673 7.856 1.00 31.33 H new ATOM 533 N ASP A 40 15.581 -19.579 5.249 1.00 14.13 N ATOM 534 CA ASP A 40 16.790 -20.251 4.788 1.00 0.31 C ATOM 535 C ASP A 40 17.750 -20.499 5.948 1.00 75.02 C ATOM 536 O ASP A 40 18.967 -20.453 5.780 1.00 4.40 O ATOM 537 CB ASP A 40 17.481 -19.418 3.707 1.00 2.35 C ATOM 538 CG ASP A 40 17.457 -17.934 4.017 1.00 41.35 C ATOM 539 OD1 ASP A 40 16.495 -17.256 3.599 1.00 54.12 O ATOM 540 OD2 ASP A 40 18.400 -17.450 4.677 1.00 61.22 O ATOM 0 H ASP A 40 15.557 -19.394 6.252 1.00 14.13 H new ATOM 0 HA ASP A 40 16.503 -21.214 4.366 1.00 0.31 H new ATOM 0 HB2 ASP A 40 18.515 -19.748 3.603 1.00 2.35 H new ATOM 0 HB3 ASP A 40 16.992 -19.594 2.749 1.00 2.35 H new ATOM 545 N GLY A 41 17.191 -20.762 7.126 1.00 62.04 N ATOM 546 CA GLY A 41 18.012 -21.012 8.296 1.00 34.41 C ATOM 547 C GLY A 41 17.266 -21.773 9.375 1.00 41.12 C ATOM 548 O GLY A 41 17.492 -22.967 9.571 1.00 74.15 O ATOM 0 H GLY A 41 16.185 -20.806 7.290 1.00 62.04 H new ATOM 0 HA2 GLY A 41 18.896 -21.578 8.002 1.00 34.41 H new ATOM 0 HA3 GLY A 41 18.361 -20.062 8.701 1.00 34.41 H new ATOM 552 N SER A 42 16.376 -21.080 10.078 1.00 43.20 N ATOM 553 CA SER A 42 15.599 -21.696 11.147 1.00 71.13 C ATOM 554 C SER A 42 14.159 -21.193 11.131 1.00 52.43 C ATOM 555 O SER A 42 13.842 -20.204 10.469 1.00 43.21 O ATOM 556 CB SER A 42 16.238 -21.403 12.505 1.00 25.33 C ATOM 557 OG SER A 42 16.230 -22.554 13.332 1.00 71.43 O ATOM 0 H SER A 42 16.175 -20.092 9.926 1.00 43.20 H new ATOM 0 HA SER A 42 15.591 -22.773 10.982 1.00 71.13 H new ATOM 0 HB2 SER A 42 17.263 -21.061 12.362 1.00 25.33 H new ATOM 0 HB3 SER A 42 15.698 -20.594 12.997 1.00 25.33 H new ATOM 0 HG SER A 42 16.646 -22.341 14.194 1.00 71.43 H new ATOM 563 N TYR A 43 13.290 -21.880 11.864 1.00 64.10 N ATOM 564 CA TYR A 43 11.883 -21.505 11.933 1.00 20.51 C ATOM 565 C TYR A 43 11.635 -20.529 13.079 1.00 32.41 C ATOM 566 O TYR A 43 12.152 -20.705 14.182 1.00 73.11 O ATOM 567 CB TYR A 43 11.011 -22.749 12.110 1.00 74.41 C ATOM 568 CG TYR A 43 11.442 -23.918 11.253 1.00 31.22 C ATOM 569 CD1 TYR A 43 12.438 -24.788 11.681 1.00 53.01 C ATOM 570 CD2 TYR A 43 10.855 -24.152 10.016 1.00 33.51 C ATOM 571 CE1 TYR A 43 12.836 -25.857 10.901 1.00 14.14 C ATOM 572 CE2 TYR A 43 11.245 -25.220 9.231 1.00 42.44 C ATOM 573 CZ TYR A 43 12.236 -26.069 9.677 1.00 1.24 C ATOM 574 OH TYR A 43 12.629 -27.132 8.897 1.00 31.12 O ATOM 0 H TYR A 43 13.535 -22.700 12.419 1.00 64.10 H new ATOM 0 HA TYR A 43 11.618 -21.013 10.997 1.00 20.51 H new ATOM 0 HB2 TYR A 43 11.031 -23.050 13.157 1.00 74.41 H new ATOM 0 HB3 TYR A 43 9.978 -22.495 11.871 1.00 74.41 H new ATOM 0 HD1 TYR A 43 12.909 -24.626 12.639 1.00 53.01 H new ATOM 0 HD2 TYR A 43 10.081 -23.488 9.662 1.00 33.51 H new ATOM 0 HE1 TYR A 43 13.612 -26.523 11.248 1.00 14.14 H new ATOM 0 HE2 TYR A 43 10.776 -25.389 8.273 1.00 42.44 H new ATOM 0 HH TYR A 43 12.107 -27.140 8.067 1.00 31.12 H new ATOM 584 N ALA A 44 10.839 -19.500 12.809 1.00 72.02 N ATOM 585 CA ALA A 44 10.519 -18.497 13.817 1.00 54.24 C ATOM 586 C ALA A 44 9.754 -17.328 13.204 1.00 32.23 C ATOM 587 O ALA A 44 10.314 -16.535 12.447 1.00 3.45 O ATOM 588 CB ALA A 44 11.789 -18.003 14.492 1.00 45.54 C ATOM 0 H ALA A 44 10.404 -19.339 11.901 1.00 72.02 H new ATOM 0 HA ALA A 44 9.880 -18.962 14.567 1.00 54.24 H new ATOM 0 HB1 ALA A 44 11.535 -17.254 15.242 1.00 45.54 H new ATOM 0 HB2 ALA A 44 12.295 -18.840 14.972 1.00 45.54 H new ATOM 0 HB3 ALA A 44 12.449 -17.560 13.746 1.00 45.54 H new ATOM 594 N HIS A 45 8.470 -17.228 13.536 1.00 64.34 N ATOM 595 CA HIS A 45 7.628 -16.156 13.018 1.00 43.24 C ATOM 596 C HIS A 45 6.795 -15.532 14.133 1.00 4.03 C ATOM 597 O HIS A 45 6.656 -16.089 15.222 1.00 33.04 O ATOM 598 CB HIS A 45 6.711 -16.686 11.916 1.00 74.32 C ATOM 599 CG HIS A 45 7.327 -16.644 10.551 1.00 35.02 C ATOM 600 ND1 HIS A 45 8.615 -16.210 10.320 1.00 13.21 N ATOM 601 CD2 HIS A 45 6.824 -16.987 9.342 1.00 11.30 C ATOM 602 CE1 HIS A 45 8.877 -16.285 9.028 1.00 62.54 C ATOM 603 NE2 HIS A 45 7.807 -16.754 8.412 1.00 70.52 N ATOM 0 H HIS A 45 7.991 -17.876 14.161 1.00 64.34 H new ATOM 0 HA HIS A 45 8.278 -15.387 12.601 1.00 43.24 H new ATOM 0 HB2 HIS A 45 6.434 -17.714 12.149 1.00 74.32 H new ATOM 0 HB3 HIS A 45 5.791 -16.102 11.908 1.00 74.32 H new ATOM 0 HD1 HIS A 45 9.264 -15.882 11.035 1.00 13.21 H new ATOM 0 HD2 HIS A 45 5.834 -17.372 9.146 1.00 11.30 H new ATOM 0 HE1 HIS A 45 9.808 -16.010 8.555 1.00 62.54 H new ATOM 611 N PRO A 46 6.229 -14.348 13.858 1.00 11.33 N ATOM 612 CA PRO A 46 5.401 -13.623 14.826 1.00 14.43 C ATOM 613 C PRO A 46 4.065 -14.313 15.079 1.00 72.44 C ATOM 614 O PRO A 46 3.687 -15.239 14.360 1.00 63.15 O ATOM 615 CB PRO A 46 5.182 -12.263 14.158 1.00 74.13 C ATOM 616 CG PRO A 46 5.330 -12.530 12.700 1.00 41.24 C ATOM 617 CD PRO A 46 6.353 -13.626 12.581 1.00 1.51 C ATOM 0 HA PRO A 46 5.878 -13.561 15.804 1.00 14.43 H new ATOM 0 HB2 PRO A 46 4.195 -11.863 14.389 1.00 74.13 H new ATOM 0 HB3 PRO A 46 5.912 -11.530 14.503 1.00 74.13 H new ATOM 0 HG2 PRO A 46 4.380 -12.834 12.261 1.00 41.24 H new ATOM 0 HG3 PRO A 46 5.654 -11.634 12.170 1.00 41.24 H new ATOM 0 HD2 PRO A 46 6.148 -14.276 11.730 1.00 1.51 H new ATOM 0 HD3 PRO A 46 7.357 -13.225 12.442 1.00 1.51 H new ATOM 625 N CYS A 47 3.353 -13.858 16.104 1.00 53.12 N ATOM 626 CA CYS A 47 2.058 -14.432 16.451 1.00 4.35 C ATOM 627 C CYS A 47 1.220 -13.439 17.252 1.00 45.31 C ATOM 628 O CYS A 47 1.600 -13.036 18.352 1.00 55.33 O ATOM 629 CB CYS A 47 2.247 -15.720 17.255 1.00 64.14 C ATOM 630 SG CYS A 47 2.872 -17.122 16.274 1.00 24.51 S ATOM 0 H CYS A 47 3.651 -13.093 16.709 1.00 53.12 H new ATOM 0 HA CYS A 47 1.531 -14.663 15.525 1.00 4.35 H new ATOM 0 HB2 CYS A 47 2.939 -15.526 18.074 1.00 64.14 H new ATOM 0 HB3 CYS A 47 1.293 -16.000 17.703 1.00 64.14 H new ATOM 635 N ARG A 48 0.080 -13.049 16.692 1.00 50.01 N ATOM 636 CA ARG A 48 -0.811 -12.103 17.352 1.00 12.14 C ATOM 637 C ARG A 48 -0.691 -12.211 18.870 1.00 75.53 C ATOM 638 O ARG A 48 0.222 -11.648 19.472 1.00 4.20 O ATOM 639 CB ARG A 48 -2.259 -12.350 16.925 1.00 33.24 C ATOM 640 CG ARG A 48 -2.577 -13.814 16.668 1.00 63.22 C ATOM 641 CD ARG A 48 -2.601 -14.125 15.179 1.00 32.35 C ATOM 642 NE ARG A 48 -2.557 -15.562 14.920 1.00 55.21 N ATOM 643 CZ ARG A 48 -3.565 -16.387 15.181 1.00 53.10 C ATOM 644 NH1 ARG A 48 -4.690 -15.920 15.706 1.00 43.12 N ATOM 645 NH2 ARG A 48 -3.450 -17.682 14.917 1.00 64.05 N ATOM 0 H ARG A 48 -0.248 -13.374 15.783 1.00 50.01 H new ATOM 0 HA ARG A 48 -0.518 -11.097 17.052 1.00 12.14 H new ATOM 0 HB2 ARG A 48 -2.927 -11.972 17.699 1.00 33.24 H new ATOM 0 HB3 ARG A 48 -2.465 -11.778 16.020 1.00 33.24 H new ATOM 0 HG2 ARG A 48 -1.833 -14.441 17.160 1.00 63.22 H new ATOM 0 HG3 ARG A 48 -3.543 -14.060 17.108 1.00 63.22 H new ATOM 0 HD2 ARG A 48 -3.503 -13.704 14.735 1.00 32.35 H new ATOM 0 HD3 ARG A 48 -1.752 -13.643 14.694 1.00 32.35 H new ATOM 0 HE ARG A 48 -1.706 -15.953 14.517 1.00 55.21 H new ATOM 0 HH11 ARG A 48 -4.783 -14.925 15.910 1.00 43.12 H new ATOM 0 HH12 ARG A 48 -5.462 -16.556 15.905 1.00 43.12 H new ATOM 0 HH21 ARG A 48 -2.587 -18.045 14.513 1.00 64.05 H new ATOM 0 HH22 ARG A 48 -4.225 -18.314 15.118 1.00 64.05 H new ATOM 659 N ARG A 49 -1.621 -12.939 19.481 1.00 64.11 N ATOM 660 CA ARG A 49 -1.620 -13.120 20.927 1.00 32.05 C ATOM 661 C ARG A 49 -0.920 -14.420 21.313 1.00 42.24 C ATOM 662 O ARG A 49 -1.487 -15.258 22.015 1.00 51.24 O ATOM 663 CB ARG A 49 -3.053 -13.122 21.463 1.00 32.30 C ATOM 664 CG ARG A 49 -3.197 -12.456 22.821 1.00 2.34 C ATOM 665 CD ARG A 49 -4.605 -12.615 23.374 1.00 45.10 C ATOM 666 NE ARG A 49 -4.897 -13.999 23.736 1.00 31.13 N ATOM 667 CZ ARG A 49 -5.930 -14.359 24.489 1.00 15.14 C ATOM 668 NH1 ARG A 49 -6.766 -13.441 24.957 1.00 64.50 N ATOM 669 NH2 ARG A 49 -6.130 -15.639 24.776 1.00 74.12 N ATOM 0 H ARG A 49 -2.384 -13.412 18.997 1.00 64.11 H new ATOM 0 HA ARG A 49 -1.074 -12.288 21.371 1.00 32.05 H new ATOM 0 HB2 ARG A 49 -3.700 -12.613 20.748 1.00 32.30 H new ATOM 0 HB3 ARG A 49 -3.404 -14.152 21.534 1.00 32.30 H new ATOM 0 HG2 ARG A 49 -2.480 -12.890 23.518 1.00 2.34 H new ATOM 0 HG3 ARG A 49 -2.956 -11.396 22.735 1.00 2.34 H new ATOM 0 HD2 ARG A 49 -4.724 -11.978 24.250 1.00 45.10 H new ATOM 0 HD3 ARG A 49 -5.327 -12.274 22.632 1.00 45.10 H new ATOM 0 HE ARG A 49 -4.274 -14.729 23.392 1.00 31.13 H new ATOM 0 HH11 ARG A 49 -6.616 -12.456 24.739 1.00 64.50 H new ATOM 0 HH12 ARG A 49 -7.559 -13.720 25.535 1.00 64.50 H new ATOM 0 HH21 ARG A 49 -5.490 -16.348 24.418 1.00 74.12 H new ATOM 0 HH22 ARG A 49 -6.924 -15.914 25.354 1.00 74.12 H new ATOM 683 N CYS A 50 0.314 -14.581 20.849 1.00 44.54 N ATOM 684 CA CYS A 50 1.092 -15.779 21.143 1.00 0.12 C ATOM 685 C CYS A 50 2.563 -15.434 21.355 1.00 73.44 C ATOM 686 O CYS A 50 2.947 -14.265 21.325 1.00 62.22 O ATOM 687 CB CYS A 50 0.952 -16.795 20.009 1.00 53.23 C ATOM 688 SG CYS A 50 0.399 -18.430 20.547 1.00 64.44 S ATOM 0 H CYS A 50 0.798 -13.897 20.267 1.00 44.54 H new ATOM 0 HA CYS A 50 0.704 -16.217 22.063 1.00 0.12 H new ATOM 0 HB2 CYS A 50 0.246 -16.408 19.274 1.00 53.23 H new ATOM 0 HB3 CYS A 50 1.913 -16.896 19.505 1.00 53.23 H new ATOM 0 HG CYS A 50 0.309 -19.218 19.517 1.00 64.44 H new ATOM 694 N ASP A 51 3.380 -16.459 21.570 1.00 71.42 N ATOM 695 CA ASP A 51 4.809 -16.265 21.787 1.00 32.51 C ATOM 696 C ASP A 51 5.519 -15.944 20.476 1.00 1.40 C ATOM 697 O ASP A 51 5.096 -16.380 19.406 1.00 21.21 O ATOM 698 CB ASP A 51 5.424 -17.514 22.422 1.00 51.23 C ATOM 699 CG ASP A 51 5.590 -17.378 23.922 1.00 24.25 C ATOM 700 OD1 ASP A 51 4.564 -17.269 24.626 1.00 22.02 O ATOM 701 OD2 ASP A 51 6.747 -17.382 24.393 1.00 33.14 O ATOM 0 H ASP A 51 3.077 -17.433 21.599 1.00 71.42 H new ATOM 0 HA ASP A 51 4.937 -15.421 22.465 1.00 32.51 H new ATOM 0 HB2 ASP A 51 4.793 -18.376 22.206 1.00 51.23 H new ATOM 0 HB3 ASP A 51 6.396 -17.708 21.968 1.00 51.23 H new ATOM 706 N ALA A 52 6.600 -15.176 20.568 1.00 63.24 N ATOM 707 CA ALA A 52 7.370 -14.797 19.389 1.00 13.42 C ATOM 708 C ALA A 52 8.380 -15.878 19.022 1.00 45.41 C ATOM 709 O ALA A 52 8.541 -16.861 19.743 1.00 32.30 O ATOM 710 CB ALA A 52 8.076 -13.469 19.625 1.00 75.42 C ATOM 0 H ALA A 52 6.962 -14.804 21.446 1.00 63.24 H new ATOM 0 HA ALA A 52 6.679 -14.685 18.554 1.00 13.42 H new ATOM 0 HB1 ALA A 52 8.647 -13.198 18.737 1.00 75.42 H new ATOM 0 HB2 ALA A 52 7.336 -12.695 19.831 1.00 75.42 H new ATOM 0 HB3 ALA A 52 8.751 -13.562 20.476 1.00 75.42 H new ATOM 716 N ASN A 53 9.059 -15.688 17.895 1.00 24.21 N ATOM 717 CA ASN A 53 10.054 -16.649 17.431 1.00 2.44 C ATOM 718 C ASN A 53 11.050 -15.986 16.484 1.00 0.04 C ATOM 719 O ASN A 53 10.670 -15.447 15.446 1.00 60.22 O ATOM 720 CB ASN A 53 9.371 -17.824 16.730 1.00 55.12 C ATOM 721 CG ASN A 53 8.405 -18.558 17.640 1.00 53.02 C ATOM 722 OD1 ASN A 53 7.188 -18.447 17.491 1.00 53.41 O ATOM 723 ND2 ASN A 53 8.945 -19.314 18.589 1.00 14.41 N ATOM 0 H ASN A 53 8.939 -14.878 17.287 1.00 24.21 H new ATOM 0 HA ASN A 53 10.597 -17.020 18.300 1.00 2.44 H new ATOM 0 HB2 ASN A 53 8.835 -17.459 15.854 1.00 55.12 H new ATOM 0 HB3 ASN A 53 10.129 -18.521 16.372 1.00 55.12 H new ATOM 0 HD21 ASN A 53 8.345 -19.832 19.231 1.00 14.41 H new ATOM 0 HD22 ASN A 53 9.959 -19.377 18.676 1.00 14.41 H new ATOM 730 N ASN A 54 12.327 -16.031 16.851 1.00 72.01 N ATOM 731 CA ASN A 54 13.378 -15.435 16.034 1.00 31.22 C ATOM 732 C ASN A 54 14.228 -16.514 15.370 1.00 3.03 C ATOM 733 O ASN A 54 14.268 -17.656 15.828 1.00 23.25 O ATOM 734 CB ASN A 54 14.263 -14.526 16.889 1.00 23.21 C ATOM 735 CG ASN A 54 13.474 -13.425 17.571 1.00 71.50 C ATOM 736 OD1 ASN A 54 12.373 -13.798 18.214 1.00 34.23 O flip ATOM 737 ND2 ASN A 54 13.850 -12.254 17.520 1.00 64.21 N flip ATOM 0 H ASN A 54 12.659 -16.474 17.708 1.00 72.01 H new ATOM 0 HA ASN A 54 12.904 -14.840 15.254 1.00 31.22 H new ATOM 0 HB2 ASN A 54 14.772 -15.125 17.644 1.00 23.21 H new ATOM 0 HB3 ASN A 54 15.035 -14.081 16.261 1.00 23.21 H new ATOM 0 HD21 ASN A 54 14.703 -12.014 17.014 1.00 64.21 H new ATOM 0 HD22 ASN A 54 13.309 -11.524 17.984 1.00 64.21 H new ATOM 853 N ILE A 63 10.146 -16.989 22.556 1.00 73.21 N ATOM 854 CA ILE A 63 9.902 -15.819 23.390 1.00 45.55 C ATOM 855 C ILE A 63 8.512 -15.245 23.139 1.00 10.23 C ATOM 856 O ILE A 63 7.826 -15.608 22.183 1.00 4.42 O ATOM 857 CB ILE A 63 10.952 -14.720 23.137 1.00 11.12 C ATOM 858 CG1 ILE A 63 11.543 -14.862 21.733 1.00 10.30 C ATOM 859 CG2 ILE A 63 12.049 -14.784 24.189 1.00 64.22 C ATOM 860 CD1 ILE A 63 12.694 -13.918 21.464 1.00 41.11 C ATOM 0 HA ILE A 63 9.974 -16.149 24.426 1.00 45.55 H new ATOM 0 HB ILE A 63 10.464 -13.748 23.208 1.00 11.12 H new ATOM 0 HG12 ILE A 63 11.885 -15.888 21.593 1.00 10.30 H new ATOM 0 HG13 ILE A 63 10.758 -14.684 20.998 1.00 10.30 H new ATOM 0 HG21 ILE A 63 12.783 -14.002 23.997 1.00 64.22 H new ATOM 0 HG22 ILE A 63 11.614 -14.639 25.178 1.00 64.22 H new ATOM 0 HG23 ILE A 63 12.537 -15.758 24.147 1.00 64.22 H new ATOM 0 HD11 ILE A 63 13.063 -14.074 20.450 1.00 41.11 H new ATOM 0 HD12 ILE A 63 12.353 -12.888 21.571 1.00 41.11 H new ATOM 0 HD13 ILE A 63 13.496 -14.110 22.176 1.00 41.11 H new ATOM 872 N PRO A 64 8.084 -14.325 24.017 1.00 25.44 N ATOM 873 CA PRO A 64 6.773 -13.679 23.912 1.00 72.44 C ATOM 874 C PRO A 64 6.690 -12.726 22.724 1.00 21.32 C ATOM 875 O PRO A 64 7.523 -11.831 22.576 1.00 54.12 O ATOM 876 CB PRO A 64 6.651 -12.907 25.227 1.00 11.53 C ATOM 877 CG PRO A 64 8.057 -12.657 25.651 1.00 0.25 C ATOM 878 CD PRO A 64 8.849 -13.845 25.181 1.00 71.22 C ATOM 0 HA PRO A 64 5.974 -14.403 23.752 1.00 72.44 H new ATOM 0 HB2 PRO A 64 6.107 -11.973 25.089 1.00 11.53 H new ATOM 0 HB3 PRO A 64 6.108 -13.484 25.976 1.00 11.53 H new ATOM 0 HG2 PRO A 64 8.439 -11.735 25.212 1.00 0.25 H new ATOM 0 HG3 PRO A 64 8.124 -12.547 26.733 1.00 0.25 H new ATOM 0 HD2 PRO A 64 9.866 -13.567 24.906 1.00 71.22 H new ATOM 0 HD3 PRO A 64 8.925 -14.609 25.955 1.00 71.22 H new ATOM 886 N CYS A 65 5.682 -12.924 21.882 1.00 10.12 N ATOM 887 CA CYS A 65 5.491 -12.081 20.707 1.00 60.31 C ATOM 888 C CYS A 65 5.608 -10.605 21.071 1.00 25.05 C ATOM 889 O CYS A 65 5.046 -10.155 22.069 1.00 61.31 O ATOM 890 CB CYS A 65 4.126 -12.356 20.073 1.00 4.33 C ATOM 891 SG CYS A 65 3.749 -11.306 18.651 1.00 54.25 S ATOM 0 H CYS A 65 4.985 -13.660 21.991 1.00 10.12 H new ATOM 0 HA CYS A 65 6.273 -12.321 19.987 1.00 60.31 H new ATOM 0 HB2 CYS A 65 4.086 -13.400 19.761 1.00 4.33 H new ATOM 0 HB3 CYS A 65 3.352 -12.219 20.828 1.00 4.33 H new ATOM 0 HG CYS A 65 2.618 -11.675 18.126 1.00 54.25 H new ATOM 897 N ASN A 66 6.345 -9.856 20.257 1.00 73.44 N ATOM 898 CA ASN A 66 6.538 -8.431 20.495 1.00 42.43 C ATOM 899 C ASN A 66 5.198 -7.711 20.608 1.00 74.13 C ATOM 900 O ASN A 66 5.149 -6.498 20.808 1.00 35.25 O ATOM 901 CB ASN A 66 7.368 -7.812 19.368 1.00 62.21 C ATOM 902 CG ASN A 66 8.858 -7.891 19.637 1.00 5.24 C ATOM 903 OD1 ASN A 66 9.277 -8.932 20.347 1.00 31.35 O flip ATOM 904 ND2 ASN A 66 9.624 -7.025 19.212 1.00 61.52 N flip ATOM 0 H ASN A 66 6.818 -10.213 19.427 1.00 73.44 H new ATOM 0 HA ASN A 66 7.073 -8.315 21.438 1.00 42.43 H new ATOM 0 HB2 ASN A 66 7.143 -8.323 18.432 1.00 62.21 H new ATOM 0 HB3 ASN A 66 7.080 -6.769 19.239 1.00 62.21 H new ATOM 0 HD21 ASN A 66 9.258 -6.242 18.670 1.00 61.52 H new ATOM 0 HD22 ASN A 66 10.624 -7.091 19.402 1.00 61.52 H new ATOM 911 N GLU A 67 4.113 -8.469 20.478 1.00 52.53 N ATOM 912 CA GLU A 67 2.772 -7.902 20.565 1.00 32.51 C ATOM 913 C GLU A 67 1.904 -8.706 21.530 1.00 41.50 C ATOM 914 O GLU A 67 0.769 -8.329 21.821 1.00 74.03 O ATOM 915 CB GLU A 67 2.118 -7.867 19.182 1.00 32.42 C ATOM 916 CG GLU A 67 3.116 -7.852 18.037 1.00 62.40 C ATOM 917 CD GLU A 67 2.454 -8.021 16.683 1.00 31.04 C ATOM 918 OE1 GLU A 67 2.261 -9.179 16.258 1.00 30.42 O ATOM 919 OE2 GLU A 67 2.129 -6.996 16.049 1.00 12.44 O ATOM 0 H GLU A 67 4.136 -9.475 20.312 1.00 52.53 H new ATOM 0 HA GLU A 67 2.859 -6.883 20.943 1.00 32.51 H new ATOM 0 HB2 GLU A 67 1.468 -8.735 19.075 1.00 32.42 H new ATOM 0 HB3 GLU A 67 1.484 -6.983 19.112 1.00 32.42 H new ATOM 0 HG2 GLU A 67 3.667 -6.912 18.053 1.00 62.40 H new ATOM 0 HG3 GLU A 67 3.843 -8.650 18.184 1.00 62.40 H new ATOM 926 N ASP A 68 2.447 -9.814 22.022 1.00 10.41 N ATOM 927 CA ASP A 68 1.724 -10.670 22.954 1.00 32.45 C ATOM 928 C ASP A 68 2.026 -10.280 24.398 1.00 43.02 C ATOM 929 O ASP A 68 2.827 -10.928 25.073 1.00 74.52 O ATOM 930 CB ASP A 68 2.091 -12.137 22.722 1.00 13.02 C ATOM 931 CG ASP A 68 1.529 -13.051 23.794 1.00 42.14 C ATOM 932 OD1 ASP A 68 0.291 -13.091 23.951 1.00 53.43 O ATOM 933 OD2 ASP A 68 2.328 -13.727 24.474 1.00 21.23 O ATOM 0 H ASP A 68 3.385 -10.140 21.791 1.00 10.41 H new ATOM 0 HA ASP A 68 0.657 -10.537 22.777 1.00 32.45 H new ATOM 0 HB2 ASP A 68 1.718 -12.452 21.748 1.00 13.02 H new ATOM 0 HB3 ASP A 68 3.176 -12.237 22.695 1.00 13.02 H new ATOM 938 N HIS A 69 1.382 -9.215 24.865 1.00 31.30 N ATOM 939 CA HIS A 69 1.582 -8.738 26.229 1.00 45.24 C ATOM 940 C HIS A 69 0.346 -9.001 27.084 1.00 44.55 C ATOM 941 O HIS A 69 -0.493 -9.842 26.762 1.00 13.40 O ATOM 942 CB HIS A 69 1.907 -7.244 26.226 1.00 53.43 C ATOM 943 CG HIS A 69 2.727 -6.811 25.049 1.00 12.15 C ATOM 944 ND1 HIS A 69 3.626 -7.640 24.413 1.00 24.14 N ATOM 945 CD2 HIS A 69 2.778 -5.628 24.393 1.00 61.30 C ATOM 946 CE1 HIS A 69 4.197 -6.986 23.418 1.00 50.33 C ATOM 947 NE2 HIS A 69 3.699 -5.763 23.383 1.00 3.35 N ATOM 0 H HIS A 69 0.718 -8.666 24.319 1.00 31.30 H new ATOM 0 HA HIS A 69 2.422 -9.284 26.659 1.00 45.24 H new ATOM 0 HB2 HIS A 69 0.976 -6.678 26.237 1.00 53.43 H new ATOM 0 HB3 HIS A 69 2.442 -6.995 27.142 1.00 53.43 H new ATOM 0 HD2 HIS A 69 2.202 -4.743 24.621 1.00 61.30 H new ATOM 0 HE1 HIS A 69 4.944 -7.383 22.747 1.00 50.33 H new ATOM 0 HE2 HIS A 69 3.957 -5.037 22.715 1.00 3.35 H new ATOM 955 N PRO A 70 0.231 -8.265 28.199 1.00 31.45 N ATOM 956 CA PRO A 70 -0.899 -8.401 29.124 1.00 60.45 C ATOM 957 C PRO A 70 -2.202 -7.879 28.527 1.00 24.03 C ATOM 958 O PRO A 70 -3.092 -7.432 29.252 1.00 45.22 O ATOM 959 CB PRO A 70 -0.480 -7.548 30.324 1.00 73.53 C ATOM 960 CG PRO A 70 0.471 -6.548 29.764 1.00 54.42 C ATOM 961 CD PRO A 70 1.194 -7.245 28.645 1.00 41.51 C ATOM 0 HA PRO A 70 -1.099 -9.443 29.374 1.00 60.45 H new ATOM 0 HB2 PRO A 70 -1.340 -7.062 30.784 1.00 73.53 H new ATOM 0 HB3 PRO A 70 -0.007 -8.155 31.096 1.00 73.53 H new ATOM 0 HG2 PRO A 70 -0.058 -5.668 29.398 1.00 54.42 H new ATOM 0 HG3 PRO A 70 1.170 -6.205 30.526 1.00 54.42 H new ATOM 0 HD2 PRO A 70 1.450 -6.555 27.841 1.00 41.51 H new ATOM 0 HD3 PRO A 70 2.126 -7.695 28.988 1.00 41.51 H new ATOM 969 N CYS A 71 -2.307 -7.939 27.205 1.00 51.15 N ATOM 970 CA CYS A 71 -3.502 -7.471 26.511 1.00 60.21 C ATOM 971 C CYS A 71 -3.848 -8.390 25.343 1.00 5.24 C ATOM 972 O CYS A 71 -3.097 -9.311 25.021 1.00 22.44 O ATOM 973 CB CYS A 71 -3.298 -6.041 26.008 1.00 70.54 C ATOM 974 SG CYS A 71 -4.741 -4.972 26.218 1.00 63.02 S ATOM 0 H CYS A 71 -1.580 -8.307 26.592 1.00 51.15 H new ATOM 0 HA CYS A 71 -4.331 -7.485 27.218 1.00 60.21 H new ATOM 0 HB2 CYS A 71 -2.452 -5.599 26.535 1.00 70.54 H new ATOM 0 HB3 CYS A 71 -3.034 -6.073 24.951 1.00 70.54 H new ATOM 0 HG CYS A 71 -4.471 -3.784 25.764 1.00 63.02 H new ATOM 980 N HIS A 72 -4.990 -8.134 24.713 1.00 3.44 N ATOM 981 CA HIS A 72 -5.436 -8.938 23.582 1.00 62.43 C ATOM 982 C HIS A 72 -4.358 -9.005 22.504 1.00 61.00 C ATOM 983 O HIS A 72 -3.366 -8.277 22.557 1.00 14.33 O ATOM 984 CB HIS A 72 -6.725 -8.362 22.995 1.00 2.24 C ATOM 985 CG HIS A 72 -7.939 -8.645 23.825 1.00 73.44 C ATOM 986 ND1 HIS A 72 -7.922 -8.662 25.203 1.00 31.33 N ATOM 987 CD2 HIS A 72 -9.214 -8.923 23.462 1.00 3.43 C ATOM 988 CE1 HIS A 72 -9.133 -8.939 25.653 1.00 21.32 C ATOM 989 NE2 HIS A 72 -9.936 -9.101 24.617 1.00 65.33 N ATOM 0 H HIS A 72 -5.623 -7.376 24.967 1.00 3.44 H new ATOM 0 HA HIS A 72 -5.630 -9.949 23.941 1.00 62.43 H new ATOM 0 HB2 HIS A 72 -6.614 -7.283 22.884 1.00 2.24 H new ATOM 0 HB3 HIS A 72 -6.874 -8.771 21.996 1.00 2.24 H new ATOM 0 HD2 HIS A 72 -9.592 -8.992 22.453 1.00 3.43 H new ATOM 0 HE1 HIS A 72 -9.418 -9.019 26.692 1.00 21.32 H new ATOM 0 HE2 HIS A 72 -10.930 -9.322 24.666 1.00 65.33 H new ATOM 997 N HIS A 73 -4.558 -9.884 21.527 1.00 53.32 N ATOM 998 CA HIS A 73 -3.603 -10.045 20.436 1.00 31.54 C ATOM 999 C HIS A 73 -2.966 -8.709 20.070 1.00 43.33 C ATOM 1000 O HIS A 73 -3.494 -7.647 20.401 1.00 3.45 O ATOM 1001 CB HIS A 73 -4.292 -10.648 19.212 1.00 73.12 C ATOM 1002 CG HIS A 73 -5.721 -10.224 19.059 1.00 23.34 C ATOM 1003 ND1 HIS A 73 -6.094 -8.933 18.754 1.00 50.51 N ATOM 1004 CD2 HIS A 73 -6.870 -10.930 19.170 1.00 32.33 C ATOM 1005 CE1 HIS A 73 -7.411 -8.862 18.685 1.00 14.23 C ATOM 1006 NE2 HIS A 73 -7.906 -10.061 18.934 1.00 55.15 N ATOM 0 H HIS A 73 -5.372 -10.495 21.468 1.00 53.32 H new ATOM 0 HA HIS A 73 -2.817 -10.722 20.771 1.00 31.54 H new ATOM 0 HB2 HIS A 73 -3.739 -10.363 18.317 1.00 73.12 H new ATOM 0 HB3 HIS A 73 -4.249 -11.735 19.280 1.00 73.12 H new ATOM 0 HD2 HIS A 73 -6.956 -11.981 19.401 1.00 32.33 H new ATOM 0 HE1 HIS A 73 -7.985 -7.975 18.463 1.00 14.23 H new ATOM 0 HE2 HIS A 73 -8.897 -10.302 18.949 1.00 55.15 H new ATOM 1014 N CYS A 74 -1.829 -8.769 19.385 1.00 1.02 N ATOM 1015 CA CYS A 74 -1.119 -7.563 18.975 1.00 44.20 C ATOM 1016 C CYS A 74 -2.076 -6.381 18.859 1.00 3.02 C ATOM 1017 O CYS A 74 -3.252 -6.550 18.536 1.00 62.33 O ATOM 1018 CB CYS A 74 -0.409 -7.793 17.640 1.00 53.13 C ATOM 1019 SG CYS A 74 -1.515 -7.807 16.209 1.00 32.12 S ATOM 0 H CYS A 74 -1.379 -9.640 19.102 1.00 1.02 H new ATOM 0 HA CYS A 74 -0.376 -7.332 19.738 1.00 44.20 H new ATOM 0 HB2 CYS A 74 0.340 -7.013 17.500 1.00 53.13 H new ATOM 0 HB3 CYS A 74 0.124 -8.743 17.683 1.00 53.13 H new ATOM 0 HG CYS A 74 -2.655 -7.274 16.536 1.00 32.12 H new ATOM 1025 N HIS A 75 -1.564 -5.184 19.127 1.00 14.43 N ATOM 1026 CA HIS A 75 -2.374 -3.973 19.054 1.00 13.33 C ATOM 1027 C HIS A 75 -3.498 -4.131 18.034 1.00 22.23 C ATOM 1028 O HIS A 75 -3.268 -4.054 16.828 1.00 51.31 O ATOM 1029 CB HIS A 75 -1.502 -2.772 18.687 1.00 11.22 C ATOM 1030 CG HIS A 75 -2.271 -1.494 18.545 1.00 61.30 C ATOM 1031 ND1 HIS A 75 -2.445 -0.601 19.581 1.00 30.42 N ATOM 1032 CD2 HIS A 75 -2.912 -0.961 17.479 1.00 41.21 C ATOM 1033 CE1 HIS A 75 -3.161 0.425 19.159 1.00 13.22 C ATOM 1034 NE2 HIS A 75 -3.457 0.232 17.886 1.00 30.15 N ATOM 0 H HIS A 75 -0.593 -5.027 19.396 1.00 14.43 H new ATOM 0 HA HIS A 75 -2.819 -3.804 20.035 1.00 13.33 H new ATOM 0 HB2 HIS A 75 -0.736 -2.642 19.452 1.00 11.22 H new ATOM 0 HB3 HIS A 75 -0.985 -2.981 17.750 1.00 11.22 H new ATOM 0 HD2 HIS A 75 -2.982 -1.393 16.492 1.00 41.21 H new ATOM 0 HE1 HIS A 75 -3.455 1.277 19.754 1.00 13.22 H new ATOM 0 HE2 HIS A 75 -4.002 0.866 17.301 1.00 30.15 H new ATOM 1042 N GLU A 76 -4.712 -4.354 18.528 1.00 61.11 N ATOM 1043 CA GLU A 76 -5.870 -4.525 17.658 1.00 22.13 C ATOM 1044 C GLU A 76 -7.168 -4.343 18.439 1.00 32.21 C ATOM 1045 O GLU A 76 -7.678 -5.286 19.042 1.00 34.44 O ATOM 1046 CB GLU A 76 -5.845 -5.908 17.004 1.00 24.24 C ATOM 1047 CG GLU A 76 -6.473 -5.939 15.621 1.00 24.11 C ATOM 1048 CD GLU A 76 -5.877 -7.015 14.734 1.00 42.32 C ATOM 1049 OE1 GLU A 76 -6.649 -7.692 14.024 1.00 73.32 O ATOM 1050 OE2 GLU A 76 -4.639 -7.179 14.749 1.00 31.23 O ATOM 0 H GLU A 76 -4.919 -4.420 19.525 1.00 61.11 H new ATOM 0 HA GLU A 76 -5.824 -3.763 16.880 1.00 22.13 H new ATOM 0 HB2 GLU A 76 -4.812 -6.248 16.932 1.00 24.24 H new ATOM 0 HB3 GLU A 76 -6.369 -6.614 17.648 1.00 24.24 H new ATOM 0 HG2 GLU A 76 -7.546 -6.105 15.717 1.00 24.11 H new ATOM 0 HG3 GLU A 76 -6.342 -4.967 15.145 1.00 24.11 H new ATOM 1057 N GLU A 77 -7.696 -3.123 18.422 1.00 21.14 N ATOM 1058 CA GLU A 77 -8.934 -2.817 19.130 1.00 23.20 C ATOM 1059 C GLU A 77 -8.716 -2.835 20.640 1.00 23.02 C ATOM 1060 O GLU A 77 -7.580 -2.877 21.114 1.00 51.12 O ATOM 1061 CB GLU A 77 -10.026 -3.819 18.749 1.00 23.25 C ATOM 1062 CG GLU A 77 -11.376 -3.176 18.483 1.00 51.34 C ATOM 1063 CD GLU A 77 -11.878 -3.435 17.075 1.00 1.14 C ATOM 1064 OE1 GLU A 77 -12.419 -2.495 16.457 1.00 41.54 O ATOM 1065 OE2 GLU A 77 -11.730 -4.577 16.593 1.00 33.22 O ATOM 0 H GLU A 77 -7.286 -2.331 17.926 1.00 21.14 H new ATOM 0 HA GLU A 77 -9.252 -1.816 18.838 1.00 23.20 H new ATOM 0 HB2 GLU A 77 -9.712 -4.365 17.860 1.00 23.25 H new ATOM 0 HB3 GLU A 77 -10.133 -4.550 19.551 1.00 23.25 H new ATOM 0 HG2 GLU A 77 -12.103 -3.557 19.200 1.00 51.34 H new ATOM 0 HG3 GLU A 77 -11.301 -2.101 18.646 1.00 51.34 H new ATOM 1072 N ASP A 78 -9.812 -2.802 21.390 1.00 25.25 N ATOM 1073 CA ASP A 78 -9.742 -2.815 22.847 1.00 24.00 C ATOM 1074 C ASP A 78 -10.663 -3.884 23.426 1.00 62.31 C ATOM 1075 O ASP A 78 -11.182 -3.738 24.533 1.00 43.33 O ATOM 1076 CB ASP A 78 -10.116 -1.443 23.409 1.00 53.30 C ATOM 1077 CG ASP A 78 -11.615 -1.213 23.424 1.00 3.13 C ATOM 1078 OD1 ASP A 78 -12.111 -0.597 24.391 1.00 31.53 O ATOM 1079 OD2 ASP A 78 -12.291 -1.648 22.469 1.00 10.31 O ATOM 0 H ASP A 78 -10.759 -2.766 21.014 1.00 25.25 H new ATOM 0 HA ASP A 78 -8.717 -3.050 23.135 1.00 24.00 H new ATOM 0 HB2 ASP A 78 -9.727 -1.350 24.423 1.00 53.30 H new ATOM 0 HB3 ASP A 78 -9.638 -0.666 22.812 1.00 53.30 H new ATOM 1084 N ASP A 79 -10.862 -4.958 22.670 1.00 30.41 N ATOM 1085 CA ASP A 79 -11.721 -6.053 23.108 1.00 42.32 C ATOM 1086 C ASP A 79 -11.360 -6.494 24.523 1.00 62.23 C ATOM 1087 O ASP A 79 -10.280 -6.184 25.024 1.00 21.50 O ATOM 1088 CB ASP A 79 -11.605 -7.236 22.146 1.00 73.12 C ATOM 1089 CG ASP A 79 -12.415 -7.034 20.880 1.00 64.31 C ATOM 1090 OD1 ASP A 79 -11.956 -6.280 19.996 1.00 14.32 O ATOM 1091 OD2 ASP A 79 -13.506 -7.632 20.772 1.00 2.43 O ATOM 0 H ASP A 79 -10.441 -5.094 21.751 1.00 30.41 H new ATOM 0 HA ASP A 79 -12.751 -5.696 23.110 1.00 42.32 H new ATOM 0 HB2 ASP A 79 -10.558 -7.386 21.884 1.00 73.12 H new ATOM 0 HB3 ASP A 79 -11.941 -8.143 22.648 1.00 73.12 H new ATOM 1096 N GLY A 80 -12.273 -7.219 25.162 1.00 23.51 N ATOM 1097 CA GLY A 80 -12.032 -7.691 26.514 1.00 53.45 C ATOM 1098 C GLY A 80 -13.310 -7.822 27.318 1.00 54.51 C ATOM 1099 O GLY A 80 -14.409 -7.698 26.775 1.00 4.24 O ATOM 0 H GLY A 80 -13.175 -7.488 24.768 1.00 23.51 H new ATOM 0 HA2 GLY A 80 -11.531 -8.658 26.474 1.00 53.45 H new ATOM 0 HA3 GLY A 80 -11.356 -7.002 27.021 1.00 53.45 H new ATOM 1103 N ASP A 81 -13.168 -8.074 28.614 1.00 32.03 N ATOM 1104 CA ASP A 81 -14.321 -8.223 29.495 1.00 1.32 C ATOM 1105 C ASP A 81 -14.364 -7.101 30.528 1.00 3.11 C ATOM 1106 O ASP A 81 -13.600 -6.138 30.448 1.00 23.41 O ATOM 1107 CB ASP A 81 -14.280 -9.580 30.199 1.00 0.12 C ATOM 1108 CG ASP A 81 -15.465 -10.454 29.840 1.00 32.32 C ATOM 1109 OD1 ASP A 81 -15.928 -11.215 30.716 1.00 74.23 O ATOM 1110 OD2 ASP A 81 -15.930 -10.377 28.684 1.00 71.31 O ATOM 0 H ASP A 81 -12.266 -8.179 29.078 1.00 32.03 H new ATOM 0 HA ASP A 81 -15.223 -8.166 28.885 1.00 1.32 H new ATOM 0 HB2 ASP A 81 -13.358 -10.096 29.933 1.00 0.12 H new ATOM 0 HB3 ASP A 81 -14.259 -9.426 31.278 1.00 0.12 H new ATOM 1115 N THR A 82 -15.263 -7.231 31.498 1.00 13.44 N ATOM 1116 CA THR A 82 -15.408 -6.228 32.546 1.00 43.42 C ATOM 1117 C THR A 82 -14.087 -5.996 33.271 1.00 40.42 C ATOM 1118 O THR A 82 -13.422 -4.980 33.062 1.00 74.24 O ATOM 1119 CB THR A 82 -16.479 -6.639 33.573 1.00 10.34 C ATOM 1120 OG1 THR A 82 -17.672 -7.053 32.898 1.00 21.14 O ATOM 1121 CG2 THR A 82 -16.797 -5.486 34.514 1.00 20.21 C ATOM 0 H THR A 82 -15.902 -8.022 31.580 1.00 13.44 H new ATOM 0 HA THR A 82 -15.719 -5.304 32.058 1.00 43.42 H new ATOM 0 HB THR A 82 -16.088 -7.470 34.160 1.00 10.34 H new ATOM 0 HG1 THR A 82 -18.347 -7.314 33.558 1.00 21.14 H new ATOM 0 HG21 THR A 82 -17.556 -5.800 35.231 1.00 20.21 H new ATOM 0 HG22 THR A 82 -15.893 -5.192 35.048 1.00 20.21 H new ATOM 0 HG23 THR A 82 -17.170 -4.639 33.938 1.00 20.21 H new ATOM 1129 N HIS A 83 -13.711 -6.943 34.124 1.00 61.22 N ATOM 1130 CA HIS A 83 -12.467 -6.842 34.879 1.00 34.13 C ATOM 1131 C HIS A 83 -11.292 -6.542 33.954 1.00 52.12 C ATOM 1132 O HIS A 83 -10.452 -5.694 34.256 1.00 12.45 O ATOM 1133 CB HIS A 83 -12.207 -8.137 35.650 1.00 52.04 C ATOM 1134 CG HIS A 83 -13.277 -8.467 36.645 1.00 62.34 C ATOM 1135 ND1 HIS A 83 -14.278 -7.586 36.993 1.00 13.04 N ATOM 1136 CD2 HIS A 83 -13.499 -9.591 37.365 1.00 21.33 C ATOM 1137 CE1 HIS A 83 -15.069 -8.153 37.887 1.00 51.11 C ATOM 1138 NE2 HIS A 83 -14.618 -9.370 38.130 1.00 72.45 N ATOM 0 H HIS A 83 -14.250 -7.789 34.310 1.00 61.22 H new ATOM 0 HA HIS A 83 -12.567 -6.020 35.588 1.00 34.13 H new ATOM 0 HB2 HIS A 83 -12.115 -8.960 34.941 1.00 52.04 H new ATOM 0 HB3 HIS A 83 -11.252 -8.056 36.169 1.00 52.04 H new ATOM 0 HD2 HIS A 83 -12.907 -10.494 37.342 1.00 21.33 H new ATOM 0 HE1 HIS A 83 -15.937 -7.698 38.342 1.00 51.11 H new ATOM 0 HE2 HIS A 83 -15.033 -10.037 38.780 1.00 72.45 H new ATOM 1146 N CYS A 84 -11.239 -7.243 32.827 1.00 53.23 N ATOM 1147 CA CYS A 84 -10.166 -7.052 31.858 1.00 61.44 C ATOM 1148 C CYS A 84 -10.075 -5.592 31.427 1.00 23.02 C ATOM 1149 O CYS A 84 -8.995 -5.000 31.426 1.00 22.24 O ATOM 1150 CB CYS A 84 -10.390 -7.944 30.635 1.00 10.13 C ATOM 1151 SG CYS A 84 -9.250 -9.343 30.523 1.00 35.23 S ATOM 0 H CYS A 84 -11.926 -7.949 32.562 1.00 53.23 H new ATOM 0 HA CYS A 84 -9.226 -7.330 32.335 1.00 61.44 H new ATOM 0 HB2 CYS A 84 -11.412 -8.323 30.657 1.00 10.13 H new ATOM 0 HB3 CYS A 84 -10.294 -7.338 29.734 1.00 10.13 H new ATOM 0 HG CYS A 84 -9.520 -10.039 29.458 1.00 35.23 H new ATOM 1157 N HIS A 85 -11.215 -5.016 31.060 1.00 73.41 N ATOM 1158 CA HIS A 85 -11.264 -3.625 30.626 1.00 52.32 C ATOM 1159 C HIS A 85 -10.993 -2.681 31.794 1.00 71.41 C ATOM 1160 O HIS A 85 -10.524 -1.559 31.602 1.00 52.12 O ATOM 1161 CB HIS A 85 -12.626 -3.309 30.006 1.00 63.42 C ATOM 1162 CG HIS A 85 -13.459 -2.378 30.832 1.00 62.24 C ATOM 1163 ND1 HIS A 85 -14.028 -2.743 32.034 1.00 45.33 N ATOM 1164 CD2 HIS A 85 -13.817 -1.090 30.623 1.00 4.42 C ATOM 1165 CE1 HIS A 85 -14.701 -1.719 32.528 1.00 23.21 C ATOM 1166 NE2 HIS A 85 -14.588 -0.703 31.691 1.00 32.35 N ATOM 0 H HIS A 85 -12.117 -5.491 31.055 1.00 73.41 H new ATOM 0 HA HIS A 85 -10.488 -3.478 29.875 1.00 52.32 H new ATOM 0 HB2 HIS A 85 -12.474 -2.869 29.020 1.00 63.42 H new ATOM 0 HB3 HIS A 85 -13.174 -4.240 29.859 1.00 63.42 H new ATOM 0 HD1 HIS A 85 -13.943 -3.660 32.473 1.00 45.33 H new ATOM 0 HD2 HIS A 85 -13.547 -0.480 29.774 1.00 4.42 H new ATOM 0 HE1 HIS A 85 -15.250 -1.713 33.458 1.00 23.21 H new ATOM 1174 N CYS A 86 -11.292 -3.144 33.003 1.00 43.22 N ATOM 1175 CA CYS A 86 -11.082 -2.340 34.202 1.00 23.51 C ATOM 1176 C CYS A 86 -9.603 -2.297 34.575 1.00 15.41 C ATOM 1177 O CYS A 86 -9.123 -1.310 35.133 1.00 22.43 O ATOM 1178 CB CYS A 86 -11.898 -2.903 35.367 1.00 43.40 C ATOM 1179 SG CYS A 86 -13.457 -2.036 35.663 1.00 44.44 S ATOM 0 H CYS A 86 -11.680 -4.071 33.179 1.00 43.22 H new ATOM 0 HA CYS A 86 -11.415 -1.324 33.992 1.00 23.51 H new ATOM 0 HB2 CYS A 86 -12.110 -3.954 35.173 1.00 43.40 H new ATOM 0 HB3 CYS A 86 -11.294 -2.862 36.273 1.00 43.40 H new ATOM 0 HG CYS A 86 -14.076 -2.586 36.665 1.00 44.44 H new ATOM 1185 N SER A 87 -8.888 -3.373 34.264 1.00 1.32 N ATOM 1186 CA SER A 87 -7.465 -3.460 34.572 1.00 51.43 C ATOM 1187 C SER A 87 -6.636 -2.740 33.513 1.00 45.32 C ATOM 1188 O SER A 87 -5.516 -2.300 33.779 1.00 71.15 O ATOM 1189 CB SER A 87 -7.031 -4.923 34.668 1.00 61.42 C ATOM 1190 OG SER A 87 -7.824 -5.630 35.605 1.00 33.24 O ATOM 0 H SER A 87 -9.270 -4.197 33.799 1.00 1.32 H new ATOM 0 HA SER A 87 -7.296 -2.975 35.533 1.00 51.43 H new ATOM 0 HB2 SER A 87 -7.113 -5.395 33.689 1.00 61.42 H new ATOM 0 HB3 SER A 87 -5.982 -4.976 34.961 1.00 61.42 H new ATOM 0 HG SER A 87 -8.738 -5.715 35.262 1.00 33.24 H new ATOM 1196 N CYS A 88 -7.192 -2.623 32.313 1.00 75.35 N ATOM 1197 CA CYS A 88 -6.505 -1.958 31.212 1.00 42.42 C ATOM 1198 C CYS A 88 -6.710 -0.448 31.276 1.00 13.31 C ATOM 1199 O CYS A 88 -5.812 0.325 30.945 1.00 64.21 O ATOM 1200 CB CYS A 88 -7.005 -2.496 29.871 1.00 50.15 C ATOM 1201 SG CYS A 88 -6.464 -4.182 29.504 1.00 43.45 S ATOM 0 H CYS A 88 -8.118 -2.980 32.077 1.00 75.35 H new ATOM 0 HA CYS A 88 -5.439 -2.166 31.304 1.00 42.42 H new ATOM 0 HB2 CYS A 88 -8.095 -2.466 29.863 1.00 50.15 H new ATOM 0 HB3 CYS A 88 -6.662 -1.834 29.076 1.00 50.15 H new ATOM 0 HG CYS A 88 -5.906 -4.213 28.330 1.00 43.45 H new ATOM 1349 N THR A 99 1.799 3.545 26.543 1.00 11.00 N ATOM 1350 CA THR A 99 0.705 2.640 26.214 1.00 62.20 C ATOM 1351 C THR A 99 0.366 2.704 24.729 1.00 22.12 C ATOM 1352 O THR A 99 -0.680 2.217 24.299 1.00 22.42 O ATOM 1353 CB THR A 99 -0.559 2.965 27.032 1.00 2.10 C ATOM 1354 OG1 THR A 99 -0.889 4.351 26.893 1.00 1.50 O ATOM 1355 CG2 THR A 99 -0.352 2.633 28.502 1.00 34.41 C ATOM 0 HA THR A 99 1.042 1.634 26.464 1.00 62.20 H new ATOM 0 HB THR A 99 -1.379 2.357 26.650 1.00 2.10 H new ATOM 0 HG1 THR A 99 -1.148 4.534 25.966 1.00 1.50 H new ATOM 0 HG21 THR A 99 -1.258 2.871 29.060 1.00 34.41 H new ATOM 0 HG22 THR A 99 -0.129 1.571 28.607 1.00 34.41 H new ATOM 0 HG23 THR A 99 0.480 3.219 28.894 1.00 34.41 H new ATOM 1363 N HIS A 100 1.257 3.308 23.949 1.00 62.51 N ATOM 1364 CA HIS A 100 1.052 3.434 22.510 1.00 24.03 C ATOM 1365 C HIS A 100 2.384 3.398 21.767 1.00 42.23 C ATOM 1366 O HIS A 100 3.425 3.101 22.351 1.00 1.33 O ATOM 1367 CB HIS A 100 0.312 4.733 22.192 1.00 53.04 C ATOM 1368 CG HIS A 100 -0.761 4.573 21.159 1.00 60.13 C ATOM 1369 ND1 HIS A 100 -0.577 4.884 19.828 1.00 41.00 N ATOM 1370 CD2 HIS A 100 -2.035 4.130 21.267 1.00 33.31 C ATOM 1371 CE1 HIS A 100 -1.692 4.641 19.163 1.00 71.21 C ATOM 1372 NE2 HIS A 100 -2.593 4.182 20.013 1.00 24.31 N ATOM 0 H HIS A 100 2.127 3.718 24.289 1.00 62.51 H new ATOM 0 HA HIS A 100 0.448 2.590 22.178 1.00 24.03 H new ATOM 0 HB2 HIS A 100 -0.132 5.122 23.108 1.00 53.04 H new ATOM 0 HB3 HIS A 100 1.031 5.476 21.846 1.00 53.04 H new ATOM 0 HD2 HIS A 100 -2.523 3.797 22.171 1.00 33.31 H new ATOM 0 HE1 HIS A 100 -1.842 4.792 18.104 1.00 71.21 H new ATOM 0 HE2 HIS A 100 -3.547 3.910 19.777 1.00 24.31 H new ATOM 1380 N GLY A 101 2.343 3.702 20.473 1.00 53.41 N ATOM 1381 CA GLY A 101 3.552 3.698 19.671 1.00 40.12 C ATOM 1382 C GLY A 101 4.262 5.037 19.685 1.00 1.22 C ATOM 1383 O GLY A 101 3.805 5.995 19.063 1.00 41.32 O ATOM 0 H GLY A 101 1.494 3.951 19.966 1.00 53.41 H new ATOM 0 HA2 GLY A 101 4.228 2.928 20.043 1.00 40.12 H new ATOM 0 HA3 GLY A 101 3.302 3.434 18.644 1.00 40.12 H new ATOM 1387 N GLU A 102 5.382 5.104 20.399 1.00 54.22 N ATOM 1388 CA GLU A 102 6.154 6.337 20.493 1.00 10.43 C ATOM 1389 C GLU A 102 7.611 6.097 20.110 1.00 4.31 C ATOM 1390 O GLU A 102 8.096 4.966 20.145 1.00 22.11 O ATOM 1391 CB GLU A 102 6.075 6.907 21.911 1.00 2.41 C ATOM 1392 CG GLU A 102 7.411 6.924 22.635 1.00 13.34 C ATOM 1393 CD GLU A 102 8.216 8.176 22.345 1.00 64.55 C ATOM 1394 OE1 GLU A 102 9.348 8.285 22.861 1.00 64.22 O ATOM 1395 OE2 GLU A 102 7.716 9.045 21.601 1.00 35.04 O ATOM 0 H GLU A 102 5.774 4.320 20.920 1.00 54.22 H new ATOM 0 HA GLU A 102 5.727 7.057 19.795 1.00 10.43 H new ATOM 0 HB2 GLU A 102 5.684 7.923 21.864 1.00 2.41 H new ATOM 0 HB3 GLU A 102 5.364 6.318 22.491 1.00 2.41 H new ATOM 0 HG2 GLU A 102 7.239 6.848 23.709 1.00 13.34 H new ATOM 0 HG3 GLU A 102 7.990 6.048 22.342 1.00 13.34 H new ATOM 1402 N CYS A 103 8.305 7.170 19.744 1.00 61.12 N ATOM 1403 CA CYS A 103 9.706 7.078 19.353 1.00 65.03 C ATOM 1404 C CYS A 103 10.572 7.997 20.210 1.00 31.22 C ATOM 1405 O CYS A 103 10.594 9.212 20.012 1.00 52.12 O ATOM 1406 CB CYS A 103 9.870 7.438 17.875 1.00 51.22 C ATOM 1407 SG CYS A 103 11.443 6.883 17.144 1.00 45.23 S ATOM 0 H CYS A 103 7.919 8.114 19.710 1.00 61.12 H new ATOM 0 HA CYS A 103 10.033 6.050 19.508 1.00 65.03 H new ATOM 0 HB2 CYS A 103 9.046 7.000 17.312 1.00 51.22 H new ATOM 0 HB3 CYS A 103 9.792 8.520 17.765 1.00 51.22 H new ATOM 1412 N THR A 104 11.285 7.408 21.165 1.00 21.31 N ATOM 1413 CA THR A 104 12.151 8.172 22.054 1.00 65.13 C ATOM 1414 C THR A 104 13.161 8.996 21.263 1.00 71.14 C ATOM 1415 O THR A 104 13.443 8.703 20.101 1.00 63.53 O ATOM 1416 CB THR A 104 12.909 7.251 23.028 1.00 22.15 C ATOM 1417 OG1 THR A 104 12.050 6.196 23.474 1.00 73.55 O ATOM 1418 CG2 THR A 104 13.420 8.035 24.228 1.00 41.35 C ATOM 0 H THR A 104 11.280 6.404 21.342 1.00 21.31 H new ATOM 0 HA THR A 104 11.507 8.841 22.625 1.00 65.13 H new ATOM 0 HB THR A 104 13.763 6.826 22.500 1.00 22.15 H new ATOM 0 HG1 THR A 104 12.540 5.614 24.092 1.00 73.55 H new ATOM 0 HG21 THR A 104 13.952 7.363 24.902 1.00 41.35 H new ATOM 0 HG22 THR A 104 14.097 8.819 23.889 1.00 41.35 H new ATOM 0 HG23 THR A 104 12.578 8.485 24.754 1.00 41.35 H new ATOM 1426 N LYS A 105 13.703 10.029 21.899 1.00 20.40 N ATOM 1427 CA LYS A 105 14.684 10.895 21.256 1.00 55.21 C ATOM 1428 C LYS A 105 15.742 10.073 20.528 1.00 71.12 C ATOM 1429 O LYS A 105 15.531 8.898 20.225 1.00 11.22 O ATOM 1430 CB LYS A 105 15.351 11.802 22.292 1.00 31.15 C ATOM 1431 CG LYS A 105 14.933 11.502 23.722 1.00 50.23 C ATOM 1432 CD LYS A 105 15.791 12.257 24.723 1.00 32.04 C ATOM 1433 CE LYS A 105 15.835 11.546 26.067 1.00 33.31 C ATOM 1434 NZ LYS A 105 17.228 11.397 26.571 1.00 42.03 N ATOM 0 H LYS A 105 13.479 10.287 22.860 1.00 20.40 H new ATOM 0 HA LYS A 105 14.162 11.512 20.524 1.00 55.21 H new ATOM 0 HB2 LYS A 105 16.433 11.699 22.209 1.00 31.15 H new ATOM 0 HB3 LYS A 105 15.111 12.840 22.062 1.00 31.15 H new ATOM 0 HG2 LYS A 105 13.886 11.773 23.861 1.00 50.23 H new ATOM 0 HG3 LYS A 105 15.012 10.431 23.908 1.00 50.23 H new ATOM 0 HD2 LYS A 105 16.803 12.360 24.332 1.00 32.04 H new ATOM 0 HD3 LYS A 105 15.396 13.264 24.856 1.00 32.04 H new ATOM 0 HE2 LYS A 105 15.244 12.105 26.793 1.00 33.31 H new ATOM 0 HE3 LYS A 105 15.376 10.562 25.972 1.00 33.31 H new ATOM 0 HZ1 LYS A 105 17.215 10.908 27.489 1.00 42.03 H new ATOM 0 HZ2 LYS A 105 17.786 10.842 25.891 1.00 42.03 H new ATOM 0 HZ3 LYS A 105 17.658 12.337 26.686 1.00 42.03 H new ATOM 1448 N LYS A 106 16.882 10.697 20.250 1.00 33.32 N ATOM 1449 CA LYS A 106 17.975 10.023 19.560 1.00 21.41 C ATOM 1450 C LYS A 106 17.856 8.508 19.702 1.00 44.44 C ATOM 1451 O LYS A 106 18.204 7.761 18.788 1.00 44.21 O ATOM 1452 CB LYS A 106 19.322 10.493 20.114 1.00 40.14 C ATOM 1453 CG LYS A 106 20.513 9.762 19.518 1.00 0.41 C ATOM 1454 CD LYS A 106 21.184 8.863 20.542 1.00 23.13 C ATOM 1455 CE LYS A 106 22.197 7.935 19.890 1.00 25.30 C ATOM 1456 NZ LYS A 106 21.866 6.501 20.122 1.00 44.53 N ATOM 0 H LYS A 106 17.073 11.669 20.492 1.00 33.32 H new ATOM 0 HA LYS A 106 17.915 10.277 18.502 1.00 21.41 H new ATOM 0 HB2 LYS A 106 19.430 11.561 19.925 1.00 40.14 H new ATOM 0 HB3 LYS A 106 19.328 10.358 21.196 1.00 40.14 H new ATOM 0 HG2 LYS A 106 20.186 9.165 18.667 1.00 0.41 H new ATOM 0 HG3 LYS A 106 21.234 10.487 19.140 1.00 0.41 H new ATOM 0 HD2 LYS A 106 21.681 9.475 21.295 1.00 23.13 H new ATOM 0 HD3 LYS A 106 20.428 8.272 21.060 1.00 23.13 H new ATOM 0 HE2 LYS A 106 22.232 8.131 18.818 1.00 25.30 H new ATOM 0 HE3 LYS A 106 23.191 8.147 20.285 1.00 25.30 H new ATOM 0 HZ1 LYS A 106 22.580 5.901 19.662 1.00 44.53 H new ATOM 0 HZ2 LYS A 106 21.858 6.308 21.144 1.00 44.53 H new ATOM 0 HZ3 LYS A 106 20.929 6.292 19.723 1.00 44.53 H new ATOM 1470 N ALA A 107 17.362 8.063 20.852 1.00 54.11 N ATOM 1471 CA ALA A 107 17.194 6.639 21.111 1.00 72.42 C ATOM 1472 C ALA A 107 16.185 6.021 20.149 1.00 72.23 C ATOM 1473 O ALA A 107 15.493 6.717 19.405 1.00 23.10 O ATOM 1474 CB ALA A 107 16.760 6.411 22.551 1.00 12.53 C ATOM 0 H ALA A 107 17.071 8.668 21.620 1.00 54.11 H new ATOM 0 HA ALA A 107 18.155 6.151 20.951 1.00 72.42 H new ATOM 0 HB1 ALA A 107 16.639 5.343 22.730 1.00 12.53 H new ATOM 0 HB2 ALA A 107 17.518 6.808 23.227 1.00 12.53 H new ATOM 0 HB3 ALA A 107 15.812 6.919 22.730 1.00 12.53 H new ATOM 1480 N PRO A 108 16.097 4.682 20.161 1.00 41.42 N ATOM 1481 CA PRO A 108 15.175 3.942 19.295 1.00 62.34 C ATOM 1482 C PRO A 108 13.718 4.139 19.697 1.00 75.44 C ATOM 1483 O PRO A 108 13.424 4.604 20.798 1.00 0.12 O ATOM 1484 CB PRO A 108 15.593 2.483 19.497 1.00 43.12 C ATOM 1485 CG PRO A 108 16.223 2.453 20.846 1.00 5.24 C ATOM 1486 CD PRO A 108 16.891 3.789 21.021 1.00 11.34 C ATOM 0 HA PRO A 108 15.231 4.277 18.259 1.00 62.34 H new ATOM 0 HB2 PRO A 108 14.734 1.814 19.446 1.00 43.12 H new ATOM 0 HB3 PRO A 108 16.293 2.161 18.726 1.00 43.12 H new ATOM 0 HG2 PRO A 108 15.476 2.286 21.622 1.00 5.24 H new ATOM 0 HG3 PRO A 108 16.947 1.642 20.921 1.00 5.24 H new ATOM 0 HD2 PRO A 108 16.874 4.114 22.061 1.00 11.34 H new ATOM 0 HD3 PRO A 108 17.936 3.759 20.713 1.00 11.34 H new ATOM 1494 N CYS A 109 12.807 3.781 18.797 1.00 1.02 N ATOM 1495 CA CYS A 109 11.379 3.918 19.058 1.00 42.15 C ATOM 1496 C CYS A 109 10.806 2.629 19.640 1.00 4.44 C ATOM 1497 O CYS A 109 11.437 1.574 19.578 1.00 51.02 O ATOM 1498 CB CYS A 109 10.637 4.282 17.770 1.00 45.40 C ATOM 1499 SG CYS A 109 11.646 5.205 16.566 1.00 5.33 S ATOM 0 H CYS A 109 13.033 3.394 17.881 1.00 1.02 H new ATOM 0 HA CYS A 109 11.243 4.717 19.787 1.00 42.15 H new ATOM 0 HB2 CYS A 109 10.276 3.367 17.300 1.00 45.40 H new ATOM 0 HB3 CYS A 109 9.760 4.877 18.024 1.00 45.40 H new ATOM 1504 N TRP A 110 9.609 2.724 20.206 1.00 54.10 N ATOM 1505 CA TRP A 110 8.950 1.566 20.800 1.00 63.01 C ATOM 1506 C TRP A 110 7.512 1.446 20.308 1.00 21.22 C ATOM 1507 O TRP A 110 6.981 2.364 19.683 1.00 4.22 O ATOM 1508 CB TRP A 110 8.974 1.667 22.326 1.00 51.01 C ATOM 1509 CG TRP A 110 7.906 2.561 22.879 1.00 54.24 C ATOM 1510 CD1 TRP A 110 6.602 2.627 22.475 1.00 5.32 C ATOM 1511 CD2 TRP A 110 8.050 3.518 23.934 1.00 30.31 C ATOM 1512 NE1 TRP A 110 5.928 3.567 23.216 1.00 1.55 N ATOM 1513 CE2 TRP A 110 6.794 4.127 24.119 1.00 55.23 C ATOM 1514 CE3 TRP A 110 9.118 3.917 24.743 1.00 55.25 C ATOM 1515 CZ2 TRP A 110 6.579 5.114 25.077 1.00 11.02 C ATOM 1516 CZ3 TRP A 110 8.903 4.897 25.693 1.00 31.11 C ATOM 1517 CH2 TRP A 110 7.642 5.486 25.855 1.00 72.13 C ATOM 0 H TRP A 110 9.074 3.591 20.266 1.00 54.10 H new ATOM 0 HA TRP A 110 9.494 0.673 20.494 1.00 63.01 H new ATOM 0 HB2 TRP A 110 8.859 0.670 22.751 1.00 51.01 H new ATOM 0 HB3 TRP A 110 9.949 2.038 22.643 1.00 51.01 H new ATOM 0 HD1 TRP A 110 6.166 2.028 21.689 1.00 5.32 H new ATOM 0 HE1 TRP A 110 4.943 3.809 23.111 1.00 1.55 H new ATOM 0 HE3 TRP A 110 10.093 3.468 24.628 1.00 55.25 H new ATOM 0 HZ2 TRP A 110 5.608 5.570 25.202 1.00 11.02 H new ATOM 0 HZ3 TRP A 110 9.722 5.215 26.322 1.00 31.11 H new ATOM 0 HH2 TRP A 110 7.506 6.248 26.608 1.00 72.13 H new ATOM 1528 N ARG A 111 6.886 0.309 20.594 1.00 24.25 N ATOM 1529 CA ARG A 111 5.509 0.069 20.180 1.00 43.30 C ATOM 1530 C ARG A 111 4.701 -0.554 21.314 1.00 13.22 C ATOM 1531 O ARG A 111 5.074 -1.594 21.858 1.00 45.13 O ATOM 1532 CB ARG A 111 5.475 -0.844 18.953 1.00 20.23 C ATOM 1533 CG ARG A 111 6.815 -1.487 18.635 1.00 41.32 C ATOM 1534 CD ARG A 111 7.187 -2.541 19.666 1.00 12.52 C ATOM 1535 NE ARG A 111 8.622 -2.809 19.681 1.00 22.32 N ATOM 1536 CZ ARG A 111 9.184 -3.759 20.420 1.00 23.32 C ATOM 1537 NH1 ARG A 111 8.436 -4.527 21.200 1.00 72.31 N ATOM 1538 NH2 ARG A 111 10.498 -3.943 20.380 1.00 52.02 N ATOM 0 H ARG A 111 7.311 -0.461 21.111 1.00 24.25 H new ATOM 0 HA ARG A 111 5.061 1.029 19.923 1.00 43.30 H new ATOM 0 HB2 ARG A 111 4.735 -1.628 19.114 1.00 20.23 H new ATOM 0 HB3 ARG A 111 5.145 -0.266 18.090 1.00 20.23 H new ATOM 0 HG2 ARG A 111 6.775 -1.943 17.646 1.00 41.32 H new ATOM 0 HG3 ARG A 111 7.589 -0.720 18.602 1.00 41.32 H new ATOM 0 HD2 ARG A 111 6.870 -2.209 20.655 1.00 12.52 H new ATOM 0 HD3 ARG A 111 6.648 -3.464 19.452 1.00 12.52 H new ATOM 0 HE ARG A 111 9.226 -2.236 19.092 1.00 22.32 H new ATOM 0 HH11 ARG A 111 7.426 -4.389 21.234 1.00 72.31 H new ATOM 0 HH12 ARG A 111 8.871 -5.256 21.766 1.00 72.31 H new ATOM 0 HH21 ARG A 111 11.077 -3.355 19.781 1.00 52.02 H new ATOM 0 HH22 ARG A 111 10.928 -4.673 20.948 1.00 52.02 H new ATOM 1552 N CYS A 112 3.593 0.089 21.666 1.00 32.11 N ATOM 1553 CA CYS A 112 2.732 -0.401 22.737 1.00 72.33 C ATOM 1554 C CYS A 112 1.261 -0.219 22.378 1.00 13.50 C ATOM 1555 O CYS A 112 0.921 0.569 21.496 1.00 52.11 O ATOM 1556 CB CYS A 112 3.045 0.327 24.045 1.00 73.23 C ATOM 1557 SG CYS A 112 4.759 0.155 24.593 1.00 31.25 S ATOM 0 H CYS A 112 3.270 0.950 21.226 1.00 32.11 H new ATOM 0 HA CYS A 112 2.926 -1.466 22.868 1.00 72.33 H new ATOM 0 HB2 CYS A 112 2.819 1.386 23.922 1.00 73.23 H new ATOM 0 HB3 CYS A 112 2.385 -0.051 24.826 1.00 73.23 H new ATOM 0 HG CYS A 112 5.514 0.973 23.921 1.00 31.25 H new ATOM 1563 N GLU A 113 0.393 -0.953 23.067 1.00 22.04 N ATOM 1564 CA GLU A 113 -1.041 -0.873 22.819 1.00 75.01 C ATOM 1565 C GLU A 113 -1.781 -0.377 24.058 1.00 74.20 C ATOM 1566 O GLU A 113 -1.255 -0.427 25.170 1.00 33.20 O ATOM 1567 CB GLU A 113 -1.586 -2.240 22.399 1.00 21.13 C ATOM 1568 CG GLU A 113 -1.078 -3.387 23.257 1.00 44.13 C ATOM 1569 CD GLU A 113 -1.557 -3.299 24.692 1.00 33.05 C ATOM 1570 OE1 GLU A 113 -0.773 -3.644 25.601 1.00 33.24 O ATOM 1571 OE2 GLU A 113 -2.716 -2.886 24.907 1.00 2.33 O ATOM 0 H GLU A 113 0.658 -1.610 23.801 1.00 22.04 H new ATOM 0 HA GLU A 113 -1.204 -0.161 22.010 1.00 75.01 H new ATOM 0 HB2 GLU A 113 -2.675 -2.217 22.445 1.00 21.13 H new ATOM 0 HB3 GLU A 113 -1.314 -2.427 21.360 1.00 21.13 H new ATOM 0 HG2 GLU A 113 -1.407 -4.332 22.825 1.00 44.13 H new ATOM 0 HG3 GLU A 113 0.012 -3.392 23.241 1.00 44.13 H new ATOM 1721 N CYS A 123 -1.355 1.548 15.647 1.00 70.31 N ATOM 1722 CA CYS A 123 -0.035 1.952 16.118 1.00 51.43 C ATOM 1723 C CYS A 123 0.552 0.904 17.057 1.00 10.23 C ATOM 1724 O CYS A 123 0.035 -0.207 17.165 1.00 10.11 O ATOM 1725 CB CYS A 123 -0.117 3.304 16.829 1.00 63.11 C ATOM 1726 SG CYS A 123 1.179 4.470 16.348 1.00 13.34 S ATOM 0 HA CYS A 123 0.621 2.044 15.252 1.00 51.43 H new ATOM 0 HB2 CYS A 123 -1.089 3.752 16.623 1.00 63.11 H new ATOM 0 HB3 CYS A 123 -0.063 3.140 17.905 1.00 63.11 H new ATOM 0 HG CYS A 123 2.198 3.816 15.875 1.00 13.34 H new ATOM 1732 N GLY A 124 1.637 1.266 17.735 1.00 23.21 N ATOM 1733 CA GLY A 124 2.278 0.345 18.655 1.00 22.24 C ATOM 1734 C GLY A 124 2.695 -0.949 17.985 1.00 41.04 C ATOM 1735 O GLY A 124 3.320 -0.932 16.923 1.00 35.51 O ATOM 0 H GLY A 124 2.083 2.180 17.663 1.00 23.21 H new ATOM 0 HA2 GLY A 124 3.155 0.824 19.091 1.00 22.24 H new ATOM 0 HA3 GLY A 124 1.596 0.122 19.475 1.00 22.24 H new ATOM 1739 N CYS A 125 2.351 -2.072 18.605 1.00 64.34 N ATOM 1740 CA CYS A 125 2.696 -3.382 18.062 1.00 44.51 C ATOM 1741 C CYS A 125 2.095 -3.570 16.673 1.00 42.11 C ATOM 1742 O CYS A 125 2.516 -4.446 15.918 1.00 42.40 O ATOM 1743 CB CYS A 125 2.208 -4.489 18.997 1.00 41.02 C ATOM 1744 SG CYS A 125 2.576 -4.197 20.743 1.00 43.22 S ATOM 0 H CYS A 125 1.834 -2.102 19.484 1.00 64.34 H new ATOM 0 HA CYS A 125 3.781 -3.440 17.979 1.00 44.51 H new ATOM 0 HB2 CYS A 125 1.130 -4.601 18.878 1.00 41.02 H new ATOM 0 HB3 CYS A 125 2.662 -5.432 18.694 1.00 41.02 H new ATOM 0 HG CYS A 125 1.923 -3.151 21.155 1.00 43.22 H new ATOM 1750 N GLU A 126 1.107 -2.743 16.344 1.00 25.11 N ATOM 1751 CA GLU A 126 0.447 -2.821 15.047 1.00 71.25 C ATOM 1752 C GLU A 126 0.882 -1.670 14.144 1.00 23.22 C ATOM 1753 O GLU A 126 0.149 -1.262 13.243 1.00 74.10 O ATOM 1754 CB GLU A 126 -1.073 -2.800 15.221 1.00 11.01 C ATOM 1755 CG GLU A 126 -1.837 -3.038 13.930 1.00 55.34 C ATOM 1756 CD GLU A 126 -1.157 -4.048 13.027 1.00 72.34 C ATOM 1757 OE1 GLU A 126 -0.134 -3.693 12.405 1.00 24.22 O ATOM 1758 OE2 GLU A 126 -1.648 -5.193 12.941 1.00 21.30 O ATOM 0 H GLU A 126 0.747 -2.012 16.958 1.00 25.11 H new ATOM 0 HA GLU A 126 0.739 -3.760 14.576 1.00 71.25 H new ATOM 0 HB2 GLU A 126 -1.358 -3.561 15.947 1.00 11.01 H new ATOM 0 HB3 GLU A 126 -1.369 -1.837 15.636 1.00 11.01 H new ATOM 0 HG2 GLU A 126 -2.842 -3.387 14.166 1.00 55.34 H new ATOM 0 HG3 GLU A 126 -1.944 -2.094 13.396 1.00 55.34 H new ATOM 1765 N CYS A 127 2.079 -1.151 14.394 1.00 64.35 N ATOM 1766 CA CYS A 127 2.613 -0.046 13.605 1.00 31.11 C ATOM 1767 C CYS A 127 2.899 -0.488 12.174 1.00 43.13 C ATOM 1768 O CYS A 127 3.559 -1.502 11.947 1.00 71.14 O ATOM 1769 CB CYS A 127 3.889 0.497 14.249 1.00 43.40 C ATOM 1770 SG CYS A 127 3.662 2.055 15.138 1.00 12.14 S ATOM 0 H CYS A 127 2.698 -1.477 15.136 1.00 64.35 H new ATOM 0 HA CYS A 127 1.863 0.745 13.578 1.00 31.11 H new ATOM 0 HB2 CYS A 127 4.280 -0.250 14.940 1.00 43.40 H new ATOM 0 HB3 CYS A 127 4.642 0.640 13.474 1.00 43.40 H new ATOM 0 HG CYS A 127 4.796 2.432 15.649 1.00 12.14 H new ATOM 1776 N SER A 128 2.397 0.279 11.211 1.00 3.54 N ATOM 1777 CA SER A 128 2.594 -0.036 9.801 1.00 4.34 C ATOM 1778 C SER A 128 4.027 0.266 9.372 1.00 1.13 C ATOM 1779 O SER A 128 4.835 0.754 10.163 1.00 51.53 O ATOM 1780 CB SER A 128 1.613 0.759 8.937 1.00 22.24 C ATOM 1781 OG SER A 128 0.286 0.293 9.113 1.00 3.43 O ATOM 0 H SER A 128 1.851 1.123 11.382 1.00 3.54 H new ATOM 0 HA SER A 128 2.408 -1.101 9.663 1.00 4.34 H new ATOM 0 HB2 SER A 128 1.668 1.816 9.197 1.00 22.24 H new ATOM 0 HB3 SER A 128 1.896 0.674 7.888 1.00 22.24 H new ATOM 0 HG SER A 128 -0.322 0.818 8.552 1.00 3.43 H new ATOM 1787 N LYS A 129 4.336 -0.028 8.114 1.00 75.50 N ATOM 1788 CA LYS A 129 5.670 0.211 7.576 1.00 15.34 C ATOM 1789 C LYS A 129 6.232 1.534 8.086 1.00 12.44 C ATOM 1790 O LYS A 129 7.442 1.678 8.268 1.00 33.41 O ATOM 1791 CB LYS A 129 5.632 0.217 6.047 1.00 71.25 C ATOM 1792 CG LYS A 129 6.435 -0.906 5.414 1.00 25.43 C ATOM 1793 CD LYS A 129 7.929 -0.698 5.603 1.00 72.13 C ATOM 1794 CE LYS A 129 8.540 0.049 4.427 1.00 11.45 C ATOM 1795 NZ LYS A 129 9.739 -0.650 3.888 1.00 0.03 N ATOM 0 H LYS A 129 3.679 -0.433 7.447 1.00 75.50 H new ATOM 0 HA LYS A 129 6.321 -0.595 7.914 1.00 15.34 H new ATOM 0 HB2 LYS A 129 4.596 0.142 5.717 1.00 71.25 H new ATOM 0 HB3 LYS A 129 6.013 1.173 5.686 1.00 71.25 H new ATOM 0 HG2 LYS A 129 6.141 -1.858 5.855 1.00 25.43 H new ATOM 0 HG3 LYS A 129 6.206 -0.963 4.350 1.00 25.43 H new ATOM 0 HD2 LYS A 129 8.106 -0.140 6.522 1.00 72.13 H new ATOM 0 HD3 LYS A 129 8.421 -1.664 5.717 1.00 72.13 H new ATOM 0 HE2 LYS A 129 7.796 0.154 3.638 1.00 11.45 H new ATOM 0 HE3 LYS A 129 8.817 1.056 4.741 1.00 11.45 H new ATOM 0 HZ1 LYS A 129 10.126 -0.109 3.088 1.00 0.03 H new ATOM 0 HZ2 LYS A 129 10.460 -0.728 4.634 1.00 0.03 H new ATOM 0 HZ3 LYS A 129 9.470 -1.601 3.565 1.00 0.03 H new ATOM 1809 N LEU A 130 5.347 2.498 8.317 1.00 43.21 N ATOM 1810 CA LEU A 130 5.755 3.810 8.808 1.00 64.11 C ATOM 1811 C LEU A 130 5.187 4.072 10.199 1.00 21.50 C ATOM 1812 O LEU A 130 4.114 4.654 10.359 1.00 44.33 O ATOM 1813 CB LEU A 130 5.295 4.904 7.843 1.00 63.55 C ATOM 1814 CG LEU A 130 3.880 4.753 7.283 1.00 42.00 C ATOM 1815 CD1 LEU A 130 3.235 6.116 7.090 1.00 13.41 C ATOM 1816 CD2 LEU A 130 3.905 3.982 5.971 1.00 34.03 C ATOM 0 H LEU A 130 4.343 2.396 8.172 1.00 43.21 H new ATOM 0 HA LEU A 130 6.843 3.824 8.871 1.00 64.11 H new ATOM 0 HB2 LEU A 130 5.361 5.864 8.355 1.00 63.55 H new ATOM 0 HB3 LEU A 130 5.993 4.940 7.007 1.00 63.55 H new ATOM 0 HG LEU A 130 3.284 4.190 8.001 1.00 42.00 H new ATOM 0 HD11 LEU A 130 2.229 5.989 6.691 1.00 13.41 H new ATOM 0 HD12 LEU A 130 3.183 6.633 8.048 1.00 13.41 H new ATOM 0 HD13 LEU A 130 3.830 6.705 6.392 1.00 13.41 H new ATOM 0 HD21 LEU A 130 2.890 3.884 5.587 1.00 34.03 H new ATOM 0 HD22 LEU A 130 4.517 4.518 5.246 1.00 34.03 H new ATOM 0 HD23 LEU A 130 4.326 2.991 6.139 1.00 34.03 H new ATOM 1828 N PRO A 131 5.923 3.633 11.231 1.00 10.22 N ATOM 1829 CA PRO A 131 5.513 3.811 12.627 1.00 4.24 C ATOM 1830 C PRO A 131 5.582 5.269 13.070 1.00 22.45 C ATOM 1831 O PRO A 131 6.068 6.129 12.336 1.00 52.32 O ATOM 1832 CB PRO A 131 6.527 2.968 13.405 1.00 71.53 C ATOM 1833 CG PRO A 131 7.729 2.916 12.527 1.00 62.44 C ATOM 1834 CD PRO A 131 7.212 2.931 11.115 1.00 72.52 C ATOM 0 HA PRO A 131 4.477 3.513 12.788 1.00 4.24 H new ATOM 0 HB2 PRO A 131 6.760 3.420 14.369 1.00 71.53 H new ATOM 0 HB3 PRO A 131 6.140 1.969 13.606 1.00 71.53 H new ATOM 0 HG2 PRO A 131 8.384 3.767 12.712 1.00 62.44 H new ATOM 0 HG3 PRO A 131 8.314 2.016 12.719 1.00 62.44 H new ATOM 0 HD2 PRO A 131 7.894 3.452 10.443 1.00 72.52 H new ATOM 0 HD3 PRO A 131 7.086 1.922 10.722 1.00 72.52 H new ATOM 1842 N CYS A 132 5.094 5.539 14.276 1.00 11.43 N ATOM 1843 CA CYS A 132 5.100 6.893 14.818 1.00 33.20 C ATOM 1844 C CYS A 132 6.504 7.296 15.261 1.00 75.55 C ATOM 1845 O CYS A 132 6.752 7.518 16.445 1.00 62.44 O ATOM 1846 CB CYS A 132 4.132 6.996 15.998 1.00 13.43 C ATOM 1847 SG CYS A 132 2.492 7.657 15.559 1.00 34.50 S ATOM 0 H CYS A 132 4.689 4.838 14.897 1.00 11.43 H new ATOM 0 HA CYS A 132 4.777 7.574 14.031 1.00 33.20 H new ATOM 0 HB2 CYS A 132 4.007 6.007 16.439 1.00 13.43 H new ATOM 0 HB3 CYS A 132 4.576 7.633 16.763 1.00 13.43 H new ATOM 0 HG CYS A 132 2.076 8.447 16.504 1.00 34.50 H new ATOM 1852 N ASN A 133 7.417 7.388 14.300 1.00 62.43 N ATOM 1853 CA ASN A 133 8.796 7.763 14.590 1.00 42.23 C ATOM 1854 C ASN A 133 9.230 8.947 13.731 1.00 53.14 C ATOM 1855 O ASN A 133 9.097 8.921 12.507 1.00 53.00 O ATOM 1856 CB ASN A 133 9.731 6.576 14.351 1.00 62.12 C ATOM 1857 CG ASN A 133 9.586 5.997 12.956 1.00 3.45 C ATOM 1858 OD1 ASN A 133 8.665 6.348 12.220 1.00 54.14 O ATOM 1859 ND2 ASN A 133 10.499 5.106 12.588 1.00 30.34 N ATOM 0 H ASN A 133 7.227 7.208 13.314 1.00 62.43 H new ATOM 0 HA ASN A 133 8.853 8.057 15.638 1.00 42.23 H new ATOM 0 HB2 ASN A 133 10.763 6.893 14.504 1.00 62.12 H new ATOM 0 HB3 ASN A 133 9.523 5.799 15.087 1.00 62.12 H new ATOM 0 HD21 ASN A 133 10.454 4.683 11.661 1.00 30.34 H new ATOM 0 HD22 ASN A 133 11.246 4.845 13.232 1.00 30.34 H new ATOM 2085 N ASP A 149 6.288 11.847 13.357 1.00 41.44 N ATOM 2086 CA ASP A 149 6.256 12.388 14.710 1.00 3.54 C ATOM 2087 C ASP A 149 4.844 12.335 15.284 1.00 32.42 C ATOM 2088 O ASP A 149 4.027 13.223 15.037 1.00 64.32 O ATOM 2089 CB ASP A 149 6.769 13.829 14.719 1.00 51.52 C ATOM 2090 CG ASP A 149 6.018 14.717 13.745 1.00 22.42 C ATOM 2091 OD1 ASP A 149 6.174 14.520 12.522 1.00 74.34 O ATOM 2092 OD2 ASP A 149 5.275 15.607 14.207 1.00 52.32 O ATOM 0 HA ASP A 149 6.906 11.775 15.334 1.00 3.54 H new ATOM 0 HB2 ASP A 149 6.676 14.238 15.725 1.00 51.52 H new ATOM 0 HB3 ASP A 149 7.830 13.836 14.469 1.00 51.52 H new ATOM 2097 N CYS A 150 4.562 11.286 16.051 1.00 53.53 N ATOM 2098 CA CYS A 150 3.248 11.115 16.659 1.00 72.22 C ATOM 2099 C CYS A 150 3.358 10.388 17.996 1.00 61.52 C ATOM 2100 O CYS A 150 4.377 9.765 18.295 1.00 64.02 O ATOM 2101 CB CYS A 150 2.325 10.338 15.718 1.00 72.02 C ATOM 2102 SG CYS A 150 1.984 8.630 16.253 1.00 15.53 S ATOM 0 H CYS A 150 5.226 10.542 16.266 1.00 53.53 H new ATOM 0 HA CYS A 150 2.826 12.104 16.837 1.00 72.22 H new ATOM 0 HB2 CYS A 150 1.380 10.875 15.628 1.00 72.02 H new ATOM 0 HB3 CYS A 150 2.774 10.314 14.725 1.00 72.02 H new ATOM 0 HG CYS A 150 2.246 7.810 15.279 1.00 15.53 H new ATOM 2107 N LYS A 151 2.301 10.471 18.797 1.00 24.30 N ATOM 2108 CA LYS A 151 2.277 9.820 20.102 1.00 52.13 C ATOM 2109 C LYS A 151 3.105 10.603 21.116 1.00 62.34 C ATOM 2110 O LYS A 151 3.283 11.814 20.985 1.00 5.31 O ATOM 2111 CB LYS A 151 2.806 8.389 19.991 1.00 64.42 C ATOM 2112 CG LYS A 151 1.976 7.372 20.756 1.00 45.13 C ATOM 2113 CD LYS A 151 2.767 6.751 21.895 1.00 30.11 C ATOM 2114 CE LYS A 151 2.127 7.046 23.243 1.00 4.21 C ATOM 2115 NZ LYS A 151 2.690 6.189 24.323 1.00 11.44 N ATOM 0 H LYS A 151 1.450 10.983 18.565 1.00 24.30 H new ATOM 0 HA LYS A 151 1.244 9.792 20.447 1.00 52.13 H new ATOM 0 HB2 LYS A 151 2.837 8.103 18.940 1.00 64.42 H new ATOM 0 HB3 LYS A 151 3.831 8.360 20.360 1.00 64.42 H new ATOM 0 HG2 LYS A 151 1.083 7.854 21.153 1.00 45.13 H new ATOM 0 HG3 LYS A 151 1.640 6.589 20.076 1.00 45.13 H new ATOM 0 HD2 LYS A 151 2.831 5.673 21.750 1.00 30.11 H new ATOM 0 HD3 LYS A 151 3.787 7.135 21.883 1.00 30.11 H new ATOM 0 HE2 LYS A 151 2.279 8.095 23.495 1.00 4.21 H new ATOM 0 HE3 LYS A 151 1.051 6.887 23.177 1.00 4.21 H new ATOM 0 HZ1 LYS A 151 1.919 5.843 24.929 1.00 11.44 H new ATOM 0 HZ2 LYS A 151 3.187 5.380 23.900 1.00 11.44 H new ATOM 0 HZ3 LYS A 151 3.357 6.745 24.895 1.00 11.44 H new ATOM 2129 N THR A 152 3.611 9.903 22.126 1.00 24.32 N ATOM 2130 CA THR A 152 4.421 10.532 23.162 1.00 62.32 C ATOM 2131 C THR A 152 5.802 10.900 22.632 1.00 42.22 C ATOM 2132 O THR A 152 6.801 10.787 23.343 1.00 13.15 O ATOM 2133 CB THR A 152 4.583 9.610 24.386 1.00 54.43 C ATOM 2134 OG1 THR A 152 4.994 8.305 23.965 1.00 35.23 O ATOM 2135 CG2 THR A 152 3.279 9.511 25.164 1.00 43.30 C ATOM 0 H THR A 152 3.474 8.900 22.249 1.00 24.32 H new ATOM 0 HA THR A 152 3.897 11.438 23.466 1.00 62.32 H new ATOM 0 HB THR A 152 5.345 10.037 25.038 1.00 54.43 H new ATOM 0 HG1 THR A 152 5.393 7.828 24.722 1.00 35.23 H new ATOM 0 HG21 THR A 152 3.417 8.855 26.024 1.00 43.30 H new ATOM 0 HG22 THR A 152 2.984 10.502 25.508 1.00 43.30 H new ATOM 0 HG23 THR A 152 2.500 9.104 24.519 1.00 43.30 H new ATOM 2143 N ILE A 153 5.852 11.342 21.380 1.00 73.44 N ATOM 2144 CA ILE A 153 7.111 11.729 20.756 1.00 60.52 C ATOM 2145 C ILE A 153 7.987 12.513 21.727 1.00 62.24 C ATOM 2146 O ILE A 153 7.515 13.419 22.414 1.00 43.32 O ATOM 2147 CB ILE A 153 6.876 12.578 19.493 1.00 61.02 C ATOM 2148 CG1 ILE A 153 5.763 13.599 19.738 1.00 72.40 C ATOM 2149 CG2 ILE A 153 6.532 11.685 18.310 1.00 22.22 C ATOM 2150 CD1 ILE A 153 5.548 14.548 18.580 1.00 3.44 C ATOM 0 H ILE A 153 5.035 11.441 20.778 1.00 73.44 H new ATOM 0 HA ILE A 153 7.620 10.807 20.474 1.00 60.52 H new ATOM 0 HB ILE A 153 7.794 13.118 19.260 1.00 61.02 H new ATOM 0 HG12 ILE A 153 4.832 13.069 19.940 1.00 72.40 H new ATOM 0 HG13 ILE A 153 6.001 14.177 20.631 1.00 72.40 H new ATOM 0 HG21 ILE A 153 6.369 12.300 17.425 1.00 22.22 H new ATOM 0 HG22 ILE A 153 7.354 10.994 18.125 1.00 22.22 H new ATOM 0 HG23 ILE A 153 5.626 11.121 18.531 1.00 22.22 H new ATOM 0 HD11 ILE A 153 4.745 15.243 18.824 1.00 3.44 H new ATOM 0 HD12 ILE A 153 6.465 15.105 18.391 1.00 3.44 H new ATOM 0 HD13 ILE A 153 5.279 13.980 17.689 1.00 3.44 H new ATOM 2268 N TYR A 162 8.776 15.516 22.701 1.00 63.33 N ATOM 2269 CA TYR A 162 8.306 15.315 24.066 1.00 2.43 C ATOM 2270 C TYR A 162 7.269 16.368 24.445 1.00 34.31 C ATOM 2271 O TYR A 162 7.609 17.439 24.949 1.00 75.05 O ATOM 2272 CB TYR A 162 9.481 15.366 25.045 1.00 72.21 C ATOM 2273 CG TYR A 162 9.058 15.432 26.495 1.00 2.21 C ATOM 2274 CD1 TYR A 162 8.201 14.480 27.034 1.00 64.15 C ATOM 2275 CD2 TYR A 162 9.515 16.447 27.327 1.00 53.23 C ATOM 2276 CE1 TYR A 162 7.812 14.537 28.358 1.00 71.32 C ATOM 2277 CE2 TYR A 162 9.132 16.511 28.652 1.00 13.14 C ATOM 2278 CZ TYR A 162 8.280 15.554 29.163 1.00 22.22 C ATOM 2279 OH TYR A 162 7.895 15.615 30.483 1.00 62.31 O ATOM 0 HA TYR A 162 7.838 14.332 24.121 1.00 2.43 H new ATOM 0 HB2 TYR A 162 10.105 14.485 24.897 1.00 72.21 H new ATOM 0 HB3 TYR A 162 10.097 16.235 24.815 1.00 72.21 H new ATOM 0 HD1 TYR A 162 7.833 13.682 26.407 1.00 64.15 H new ATOM 0 HD2 TYR A 162 10.181 17.199 26.930 1.00 53.23 H new ATOM 0 HE1 TYR A 162 7.145 13.789 28.761 1.00 71.32 H new ATOM 0 HE2 TYR A 162 9.498 17.306 29.285 1.00 13.14 H new ATOM 0 HH TYR A 162 8.314 16.391 30.910 1.00 62.31 H new ATOM 2289 N HIS A 163 6.000 16.054 24.200 1.00 63.02 N ATOM 2290 CA HIS A 163 4.911 16.971 24.516 1.00 40.02 C ATOM 2291 C HIS A 163 4.251 16.595 25.839 1.00 10.10 C ATOM 2292 O HIS A 163 4.325 17.342 26.815 1.00 61.40 O ATOM 2293 CB HIS A 163 3.871 16.967 23.395 1.00 44.13 C ATOM 2294 CG HIS A 163 3.705 18.298 22.727 1.00 22.43 C ATOM 2295 ND1 HIS A 163 4.705 18.902 21.994 1.00 32.04 N ATOM 2296 CD2 HIS A 163 2.647 19.140 22.684 1.00 53.04 C ATOM 2297 CE1 HIS A 163 4.269 20.059 21.530 1.00 11.43 C ATOM 2298 NE2 HIS A 163 3.022 20.227 21.934 1.00 45.51 N ATOM 0 H HIS A 163 5.701 15.172 23.784 1.00 63.02 H new ATOM 0 HA HIS A 163 5.329 17.973 24.610 1.00 40.02 H new ATOM 0 HB2 HIS A 163 4.158 16.228 22.647 1.00 44.13 H new ATOM 0 HB3 HIS A 163 2.910 16.652 23.803 1.00 44.13 H new ATOM 0 HD2 HIS A 163 1.686 18.986 23.152 1.00 53.04 H new ATOM 0 HE1 HIS A 163 4.835 20.750 20.924 1.00 11.43 H new ATOM 0 HE2 HIS A 163 2.434 21.033 21.723 1.00 45.51 H new ATOM 2306 N SER A 164 3.605 15.434 25.864 1.00 61.43 N ATOM 2307 CA SER A 164 2.928 14.961 27.066 1.00 70.14 C ATOM 2308 C SER A 164 2.759 13.445 27.033 1.00 14.00 C ATOM 2309 O SER A 164 3.387 12.756 26.229 1.00 52.01 O ATOM 2310 CB SER A 164 1.562 15.635 27.205 1.00 11.25 C ATOM 2311 OG SER A 164 0.582 14.968 26.429 1.00 31.02 O ATOM 0 H SER A 164 3.536 14.803 25.065 1.00 61.43 H new ATOM 0 HA SER A 164 3.543 15.222 27.927 1.00 70.14 H new ATOM 0 HB2 SER A 164 1.260 15.639 28.252 1.00 11.25 H new ATOM 0 HB3 SER A 164 1.633 16.676 26.890 1.00 11.25 H new ATOM 0 HG SER A 164 -0.282 15.417 26.537 1.00 31.02 H new ATOM 2317 N TYR A 165 1.906 12.933 27.913 1.00 75.42 N ATOM 2318 CA TYR A 165 1.654 11.498 27.988 1.00 42.33 C ATOM 2319 C TYR A 165 0.244 11.167 27.510 1.00 33.41 C ATOM 2320 O TYR A 165 -0.742 11.573 28.124 1.00 32.44 O ATOM 2321 CB TYR A 165 1.850 10.999 29.420 1.00 2.12 C ATOM 2322 CG TYR A 165 3.114 11.511 30.072 1.00 4.44 C ATOM 2323 CD1 TYR A 165 4.312 11.559 29.369 1.00 11.31 C ATOM 2324 CD2 TYR A 165 3.112 11.947 31.392 1.00 60.32 C ATOM 2325 CE1 TYR A 165 5.470 12.026 29.961 1.00 73.01 C ATOM 2326 CE2 TYR A 165 4.265 12.416 31.991 1.00 14.32 C ATOM 2327 CZ TYR A 165 5.441 12.454 31.272 1.00 71.22 C ATOM 2328 OH TYR A 165 6.591 12.920 31.866 1.00 65.52 O ATOM 0 H TYR A 165 1.377 13.490 28.584 1.00 75.42 H new ATOM 0 HA TYR A 165 2.367 10.995 27.335 1.00 42.33 H new ATOM 0 HB2 TYR A 165 0.993 11.301 30.022 1.00 2.12 H new ATOM 0 HB3 TYR A 165 1.869 9.909 29.417 1.00 2.12 H new ATOM 0 HD1 TYR A 165 4.338 11.225 28.342 1.00 11.31 H new ATOM 0 HD2 TYR A 165 2.193 11.919 31.959 1.00 60.32 H new ATOM 0 HE1 TYR A 165 6.393 12.056 29.400 1.00 73.01 H new ATOM 0 HE2 TYR A 165 4.245 12.751 33.017 1.00 14.32 H new ATOM 0 HH TYR A 165 6.896 13.726 31.400 1.00 65.52 H new ATOM 2338 N GLU A 166 0.157 10.425 26.410 1.00 5.21 N ATOM 2339 CA GLU A 166 -1.132 10.039 25.849 1.00 21.34 C ATOM 2340 C GLU A 166 -0.952 9.037 24.712 1.00 54.41 C ATOM 2341 O GLU A 166 0.171 8.696 24.344 1.00 20.12 O ATOM 2342 CB GLU A 166 -1.884 11.272 25.344 1.00 23.10 C ATOM 2343 CG GLU A 166 -3.323 11.347 25.824 1.00 32.54 C ATOM 2344 CD GLU A 166 -3.452 12.014 27.180 1.00 30.30 C ATOM 2345 OE1 GLU A 166 -4.172 11.469 28.043 1.00 73.23 O ATOM 2346 OE2 GLU A 166 -2.833 13.080 27.378 1.00 14.13 O ATOM 0 H GLU A 166 0.964 10.080 25.890 1.00 5.21 H new ATOM 0 HA GLU A 166 -1.716 9.565 26.638 1.00 21.34 H new ATOM 0 HB2 GLU A 166 -1.355 12.168 25.668 1.00 23.10 H new ATOM 0 HB3 GLU A 166 -1.873 11.272 24.254 1.00 23.10 H new ATOM 0 HG2 GLU A 166 -3.917 11.898 25.095 1.00 32.54 H new ATOM 0 HG3 GLU A 166 -3.737 10.340 25.878 1.00 32.54 H new ATOM 2353 N GLU A 167 -2.068 8.571 24.160 1.00 14.02 N ATOM 2354 CA GLU A 167 -2.034 7.608 23.066 1.00 71.11 C ATOM 2355 C GLU A 167 -2.723 8.169 21.825 1.00 0.33 C ATOM 2356 O GLU A 167 -3.890 7.876 21.564 1.00 64.34 O ATOM 2357 CB GLU A 167 -2.706 6.299 23.487 1.00 3.35 C ATOM 2358 CG GLU A 167 -3.688 6.462 24.635 1.00 34.40 C ATOM 2359 CD GLU A 167 -3.012 6.426 25.992 1.00 40.13 C ATOM 2360 OE1 GLU A 167 -1.780 6.626 26.045 1.00 32.21 O ATOM 2361 OE2 GLU A 167 -3.713 6.199 26.999 1.00 35.43 O ATOM 0 H GLU A 167 -3.006 8.845 24.452 1.00 14.02 H new ATOM 0 HA GLU A 167 -0.990 7.411 22.823 1.00 71.11 H new ATOM 0 HB2 GLU A 167 -3.229 5.877 22.629 1.00 3.35 H new ATOM 0 HB3 GLU A 167 -1.937 5.582 23.776 1.00 3.35 H new ATOM 0 HG2 GLU A 167 -4.218 7.408 24.523 1.00 34.40 H new ATOM 0 HG3 GLU A 167 -4.435 5.670 24.584 1.00 34.40 H new ATOM 2368 N ASP A 168 -1.993 8.978 21.066 1.00 42.43 N ATOM 2369 CA ASP A 168 -2.532 9.581 19.852 1.00 11.23 C ATOM 2370 C ASP A 168 -1.412 9.955 18.887 1.00 64.21 C ATOM 2371 O ASP A 168 -0.322 9.386 18.934 1.00 21.34 O ATOM 2372 CB ASP A 168 -3.359 10.820 20.197 1.00 14.51 C ATOM 2373 CG ASP A 168 -4.272 10.595 21.386 1.00 34.31 C ATOM 2374 OD1 ASP A 168 -3.789 10.696 22.533 1.00 12.45 O ATOM 2375 OD2 ASP A 168 -5.470 10.317 21.169 1.00 13.15 O ATOM 0 H ASP A 168 -1.026 9.232 21.269 1.00 42.43 H new ATOM 0 HA ASP A 168 -3.175 8.847 19.366 1.00 11.23 H new ATOM 0 HB2 ASP A 168 -2.689 11.653 20.410 1.00 14.51 H new ATOM 0 HB3 ASP A 168 -3.958 11.106 19.332 1.00 14.51 H new ATOM 2380 N GLY A 169 -1.688 10.915 18.010 1.00 53.21 N ATOM 2381 CA GLY A 169 -0.694 11.347 17.045 1.00 53.42 C ATOM 2382 C GLY A 169 -0.341 12.814 17.194 1.00 65.30 C ATOM 2383 O GLY A 169 -1.015 13.553 17.911 1.00 21.24 O ATOM 0 H GLY A 169 -2.583 11.401 17.951 1.00 53.21 H new ATOM 0 HA2 GLY A 169 0.208 10.746 17.163 1.00 53.42 H new ATOM 0 HA3 GLY A 169 -1.068 11.167 16.037 1.00 53.42 H new