USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 662 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 151 LYS NZ :NH3+ -159:sc= -3.37! (180deg=-4.02!) USER MOD Set 1.2: A 152 THR OG1 : rot -146:sc= -3.84! USER MOD Set 2.1: A 28 ASN : amide:sc= -0.237 K(o=-0.24,f=-2.1) USER MOD Set 2.2: A 129 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.439) USER MOD Set 3.1: A 103 CYS SG : rot -93:sc= -30.5! USER MOD Set 3.2: A 109 CYS SG : rot 31:sc= -20.6! USER MOD Set 4.1: A 100 HIS : no HD1:sc= -5.97! C(o=-5.9!,f=-7.1!) USER MOD Set 4.2: A 123 CYS SG : rot -121:sc= 0.0347 USER MOD Set 5.1: A 85 HIS : no HE2:sc= 0.437 K(o=0.3,f=-6.8!) USER MOD Set 5.2: A 86 CYS SG : rot 180:sc= -0.14 USER MOD Set 6.1: A 75 HIS :FLIP no HD1:sc= -0.602 F(o=-3,f=-1.4) USER MOD Set 6.2: A 112 CYS SG : rot 23:sc= -0.773 USER MOD Set 7.1: A 17 HIS : no HE2:sc= -8.5! C(o=-8.7!,f=-8.9!) USER MOD Set 7.2: A 27 CYS SG : rot -150:sc= -0.201 USER MOD Set 8.1: A 18 CYS SG : rot 100:sc= 0.397 USER MOD Set 8.2: A 74 CYS SG : rot 180:sc= -0.481 USER MOD Single : A 21 ASN :FLIP amide:sc= -8.47! C(o=-9.7!,f=-8.5!) USER MOD Single : A 24 ASN : amide:sc= -0.0432 X(o=-0.043,f=-0.42) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 46:sc= 0.569 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0678) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -51:sc= 0.998 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HE2:sc= -3.14 X(o=-3.1,f=-3.1) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 ASN :FLIP amide:sc= -1.32! C(o=-3.8!,f=-1.3!) USER MOD Single : A 54 ASN :FLIP amide:sc= -6.49! C(o=-8.6!,f=-6.5!) USER MOD Single : A 65 CYS SG : rot 146:sc= 1.7 USER MOD Single : A 66 ASN :FLIP amide:sc= -0.0236 F(o=-1.3,f=-0.024) USER MOD Single : A 69 HIS :FLIP no HE2:sc= -6.16! C(o=-6.8!,f=-6.2!) USER MOD Single : A 71 CYS SG : rot -129:sc= 0.192 USER MOD Single : A 72 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-1.9) USER MOD Single : A 73 HIS : no HD1:sc= -1.46 X(o=-1.5,f=-1.3) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.089 X(o=-0.089,f=-0.45) USER MOD Single : A 84 CYS SG : rot 180:sc= -0.411 USER MOD Single : A 87 SER OG : rot 68:sc= 0.622 USER MOD Single : A 88 CYS SG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot -35:sc= -0.806 USER MOD Single : A 104 THR OG1 : rot 156:sc= -0.633 USER MOD Single : A 105 LYS NZ :NH3+ -129:sc= -0.239 (180deg=-0.873) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 CYS SG : rot 180:sc= -0.0151 USER MOD Single : A 127 CYS SG : rot -138:sc= 0.626 USER MOD Single : A 128 SER OG : rot 180:sc=0.000804 USER MOD Single : A 133 ASN : amide:sc= -5.9! C(o=-5.9!,f=-9.2!) USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 163 HIS : no HD1:sc= -0.0383 X(o=-0.038,f=-0.16) USER MOD Single : A 164 SER OG : rot -44:sc= 0.0278! USER MOD Single : A 165 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 216 N HIS A 17 0.738 -8.389 6.366 1.00 51.13 N ATOM 217 CA HIS A 17 1.578 -7.401 7.035 1.00 75.44 C ATOM 218 C HIS A 17 0.822 -6.732 8.179 1.00 44.12 C ATOM 219 O HIS A 17 -0.341 -7.045 8.435 1.00 61.11 O ATOM 220 CB HIS A 17 2.054 -6.346 6.036 1.00 21.01 C ATOM 221 CG HIS A 17 3.545 -6.223 5.960 1.00 31.42 C ATOM 222 ND1 HIS A 17 4.295 -5.562 6.910 1.00 60.52 N ATOM 223 CD2 HIS A 17 4.425 -6.683 5.041 1.00 63.52 C ATOM 224 CE1 HIS A 17 5.572 -5.620 6.577 1.00 42.20 C ATOM 225 NE2 HIS A 17 5.678 -6.295 5.447 1.00 63.12 N ATOM 0 HA HIS A 17 2.445 -7.916 7.448 1.00 75.44 H new ATOM 0 HB2 HIS A 17 1.667 -6.593 5.047 1.00 21.01 H new ATOM 0 HB3 HIS A 17 1.631 -5.380 6.311 1.00 21.01 H new ATOM 0 HD1 HIS A 17 3.922 -5.101 7.740 1.00 60.52 H new ATOM 0 HD2 HIS A 17 4.186 -7.250 4.153 1.00 63.52 H new ATOM 0 HE1 HIS A 17 6.390 -5.189 7.134 1.00 42.20 H new ATOM 233 N CYS A 18 1.491 -5.811 8.863 1.00 2.34 N ATOM 234 CA CYS A 18 0.884 -5.098 9.982 1.00 74.13 C ATOM 235 C CYS A 18 1.614 -3.787 10.252 1.00 24.04 C ATOM 236 O CYS A 18 2.302 -3.256 9.380 1.00 61.41 O ATOM 237 CB CYS A 18 0.896 -5.971 11.237 1.00 31.51 C ATOM 238 SG CYS A 18 -0.738 -6.248 11.960 1.00 12.42 S ATOM 0 H CYS A 18 2.454 -5.540 8.663 1.00 2.34 H new ATOM 0 HA CYS A 18 -0.148 -4.869 9.718 1.00 74.13 H new ATOM 0 HB2 CYS A 18 1.341 -6.935 10.991 1.00 31.51 H new ATOM 0 HB3 CYS A 18 1.538 -5.505 11.985 1.00 31.51 H new ATOM 0 HG CYS A 18 -1.180 -7.416 11.600 1.00 12.42 H new ATOM 244 N ASP A 19 1.459 -3.269 11.466 1.00 64.11 N ATOM 245 CA ASP A 19 2.104 -2.019 11.852 1.00 71.32 C ATOM 246 C ASP A 19 3.616 -2.194 11.946 1.00 24.30 C ATOM 247 O ASP A 19 4.340 -1.952 10.981 1.00 45.20 O ATOM 248 CB ASP A 19 1.551 -1.527 13.190 1.00 33.42 C ATOM 249 CG ASP A 19 0.076 -1.185 13.116 1.00 34.23 C ATOM 250 OD1 ASP A 19 -0.734 -1.914 13.728 1.00 52.43 O ATOM 251 OD2 ASP A 19 -0.269 -0.189 12.448 1.00 40.52 O ATOM 0 H ASP A 19 0.893 -3.695 12.199 1.00 64.11 H new ATOM 0 HA ASP A 19 1.890 -1.276 11.084 1.00 71.32 H new ATOM 0 HB2 ASP A 19 1.705 -2.295 13.948 1.00 33.42 H new ATOM 0 HB3 ASP A 19 2.109 -0.647 13.509 1.00 33.42 H new ATOM 256 N ALA A 20 4.087 -2.616 13.115 1.00 15.14 N ATOM 257 CA ALA A 20 5.512 -2.824 13.335 1.00 23.24 C ATOM 258 C ALA A 20 6.199 -3.306 12.062 1.00 25.43 C ATOM 259 O ALA A 20 7.213 -2.749 11.644 1.00 50.23 O ATOM 260 CB ALA A 20 5.732 -3.819 14.465 1.00 2.04 C ATOM 0 H ALA A 20 3.501 -2.821 13.925 1.00 15.14 H new ATOM 0 HA ALA A 20 5.954 -1.868 13.616 1.00 23.24 H new ATOM 0 HB1 ALA A 20 6.801 -3.965 14.618 1.00 2.04 H new ATOM 0 HB2 ALA A 20 5.283 -3.435 15.381 1.00 2.04 H new ATOM 0 HB3 ALA A 20 5.269 -4.771 14.206 1.00 2.04 H new ATOM 266 N ASN A 21 5.641 -4.346 11.452 1.00 61.44 N ATOM 267 CA ASN A 21 6.202 -4.905 10.226 1.00 14.53 C ATOM 268 C ASN A 21 6.107 -3.903 9.079 1.00 32.03 C ATOM 269 O ASN A 21 7.061 -3.713 8.327 1.00 42.13 O ATOM 270 CB ASN A 21 5.475 -6.197 9.851 1.00 75.32 C ATOM 271 CG ASN A 21 4.638 -6.742 10.992 1.00 32.41 C ATOM 272 OD1 ASN A 21 3.690 -5.942 11.465 1.00 4.04 O flip ATOM 273 ND2 ASN A 21 4.841 -7.870 11.442 1.00 12.14 N flip ATOM 0 H ASN A 21 4.801 -4.819 11.786 1.00 61.44 H new ATOM 0 HA ASN A 21 7.254 -5.127 10.405 1.00 14.53 H new ATOM 0 HB2 ASN A 21 4.833 -6.013 8.989 1.00 75.32 H new ATOM 0 HB3 ASN A 21 6.206 -6.947 9.549 1.00 75.32 H new ATOM 0 HD21 ASN A 21 5.581 -8.451 11.048 1.00 12.14 H new ATOM 0 HD22 ASN A 21 4.269 -8.224 12.209 1.00 12.14 H new ATOM 280 N GLY A 22 4.948 -3.264 8.953 1.00 75.12 N ATOM 281 CA GLY A 22 4.749 -2.290 7.896 1.00 41.41 C ATOM 282 C GLY A 22 5.895 -1.303 7.795 1.00 41.43 C ATOM 283 O GLY A 22 6.314 -0.940 6.696 1.00 3.12 O ATOM 0 H GLY A 22 4.143 -3.404 9.564 1.00 75.12 H new ATOM 0 HA2 GLY A 22 4.635 -2.809 6.944 1.00 41.41 H new ATOM 0 HA3 GLY A 22 3.821 -1.747 8.076 1.00 41.41 H new ATOM 287 N GLU A 23 6.402 -0.866 8.944 1.00 75.12 N ATOM 288 CA GLU A 23 7.504 0.087 8.979 1.00 44.24 C ATOM 289 C GLU A 23 8.831 -0.604 8.675 1.00 13.15 C ATOM 290 O GLU A 23 9.727 -0.013 8.075 1.00 24.22 O ATOM 291 CB GLU A 23 7.574 0.771 10.346 1.00 72.13 C ATOM 292 CG GLU A 23 7.004 2.179 10.352 1.00 54.35 C ATOM 293 CD GLU A 23 7.852 3.155 9.560 1.00 2.51 C ATOM 294 OE1 GLU A 23 7.476 3.473 8.412 1.00 34.23 O ATOM 295 OE2 GLU A 23 8.892 3.602 10.088 1.00 62.32 O ATOM 0 H GLU A 23 6.067 -1.157 9.862 1.00 75.12 H new ATOM 0 HA GLU A 23 7.323 0.841 8.213 1.00 44.24 H new ATOM 0 HB2 GLU A 23 7.033 0.166 11.074 1.00 72.13 H new ATOM 0 HB3 GLU A 23 8.614 0.808 10.672 1.00 72.13 H new ATOM 0 HG2 GLU A 23 5.996 2.161 9.938 1.00 54.35 H new ATOM 0 HG3 GLU A 23 6.920 2.528 11.381 1.00 54.35 H new ATOM 302 N ASN A 24 8.947 -1.859 9.096 1.00 33.41 N ATOM 303 CA ASN A 24 10.163 -2.631 8.871 1.00 24.51 C ATOM 304 C ASN A 24 10.246 -3.107 7.424 1.00 71.22 C ATOM 305 O ASN A 24 11.336 -3.266 6.873 1.00 0.30 O ATOM 306 CB ASN A 24 10.213 -3.832 9.818 1.00 34.30 C ATOM 307 CG ASN A 24 11.226 -3.649 10.931 1.00 31.44 C ATOM 308 OD1 ASN A 24 11.451 -2.535 11.404 1.00 35.25 O ATOM 309 ND2 ASN A 24 11.843 -4.746 11.355 1.00 5.01 N ATOM 0 H ASN A 24 8.214 -2.363 9.595 1.00 33.41 H new ATOM 0 HA ASN A 24 11.016 -1.983 9.071 1.00 24.51 H new ATOM 0 HB2 ASN A 24 9.226 -3.991 10.252 1.00 34.30 H new ATOM 0 HB3 ASN A 24 10.460 -4.729 9.250 1.00 34.30 H new ATOM 0 HD21 ASN A 24 12.535 -4.686 12.102 1.00 5.01 H new ATOM 0 HD22 ASN A 24 11.625 -5.649 10.934 1.00 5.01 H new ATOM 316 N CYS A 25 9.087 -3.332 6.814 1.00 25.41 N ATOM 317 CA CYS A 25 9.028 -3.790 5.430 1.00 20.25 C ATOM 318 C CYS A 25 8.068 -2.931 4.614 1.00 32.13 C ATOM 319 O CYS A 25 7.284 -3.445 3.816 1.00 23.21 O ATOM 320 CB CYS A 25 8.594 -5.256 5.375 1.00 52.55 C ATOM 321 SG CYS A 25 9.942 -6.412 5.036 1.00 35.54 S ATOM 0 H CYS A 25 8.176 -3.205 7.256 1.00 25.41 H new ATOM 0 HA CYS A 25 10.025 -3.697 4.999 1.00 20.25 H new ATOM 0 HB2 CYS A 25 8.131 -5.523 6.325 1.00 52.55 H new ATOM 0 HB3 CYS A 25 7.830 -5.369 4.606 1.00 52.55 H new ATOM 0 HG CYS A 25 9.477 -7.626 5.011 1.00 35.54 H new ATOM 327 N SER A 26 8.133 -1.620 4.821 1.00 3.34 N ATOM 328 CA SER A 26 7.266 -0.689 4.109 1.00 72.11 C ATOM 329 C SER A 26 6.152 -1.434 3.379 1.00 22.45 C ATOM 330 O SER A 26 6.334 -1.897 2.253 1.00 65.13 O ATOM 331 CB SER A 26 8.080 0.138 3.112 1.00 55.13 C ATOM 332 OG SER A 26 8.810 -0.698 2.232 1.00 61.44 O ATOM 0 H SER A 26 8.778 -1.178 5.477 1.00 3.34 H new ATOM 0 HA SER A 26 6.813 -0.020 4.841 1.00 72.11 H new ATOM 0 HB2 SER A 26 7.413 0.781 2.538 1.00 55.13 H new ATOM 0 HB3 SER A 26 8.766 0.791 3.651 1.00 55.13 H new ATOM 0 HG SER A 26 8.227 -1.413 1.901 1.00 61.44 H new ATOM 338 N CYS A 27 4.999 -1.546 4.030 1.00 65.30 N ATOM 339 CA CYS A 27 3.855 -2.236 3.445 1.00 62.12 C ATOM 340 C CYS A 27 2.545 -1.618 3.923 1.00 22.30 C ATOM 341 O CYS A 27 2.513 -0.907 4.926 1.00 11.21 O ATOM 342 CB CYS A 27 3.892 -3.723 3.802 1.00 43.23 C ATOM 343 SG CYS A 27 3.045 -4.789 2.612 1.00 0.13 S ATOM 0 H CYS A 27 4.832 -1.168 4.963 1.00 65.30 H new ATOM 0 HA CYS A 27 3.912 -2.129 2.362 1.00 62.12 H new ATOM 0 HB2 CYS A 27 4.932 -4.041 3.882 1.00 43.23 H new ATOM 0 HB3 CYS A 27 3.440 -3.861 4.784 1.00 43.23 H new ATOM 0 HG CYS A 27 2.572 -5.834 3.225 1.00 0.13 H new ATOM 349 N ASN A 28 1.467 -1.894 3.197 1.00 71.53 N ATOM 350 CA ASN A 28 0.154 -1.364 3.546 1.00 40.24 C ATOM 351 C ASN A 28 -0.810 -2.490 3.906 1.00 22.30 C ATOM 352 O ASN A 28 -1.916 -2.570 3.370 1.00 1.22 O ATOM 353 CB ASN A 28 -0.413 -0.544 2.385 1.00 61.45 C ATOM 354 CG ASN A 28 0.669 0.178 1.604 1.00 15.05 C ATOM 355 OD1 ASN A 28 1.652 0.649 2.176 1.00 51.11 O ATOM 356 ND2 ASN A 28 0.491 0.269 0.292 1.00 75.54 N ATOM 0 H ASN A 28 1.477 -2.482 2.363 1.00 71.53 H new ATOM 0 HA ASN A 28 0.271 -0.718 4.416 1.00 40.24 H new ATOM 0 HB2 ASN A 28 -0.964 -1.203 1.714 1.00 61.45 H new ATOM 0 HB3 ASN A 28 -1.125 0.185 2.772 1.00 61.45 H new ATOM 0 HD21 ASN A 28 1.185 0.744 -0.285 1.00 75.54 H new ATOM 0 HD22 ASN A 28 -0.340 -0.137 -0.139 1.00 75.54 H new ATOM 363 N CYS A 29 -0.383 -3.358 4.817 1.00 43.04 N ATOM 364 CA CYS A 29 -1.207 -4.481 5.249 1.00 15.40 C ATOM 365 C CYS A 29 -1.233 -4.582 6.771 1.00 71.03 C ATOM 366 O CYS A 29 -0.252 -4.261 7.440 1.00 43.12 O ATOM 367 CB CYS A 29 -0.685 -5.786 4.648 1.00 43.15 C ATOM 368 SG CYS A 29 -1.731 -6.467 3.340 1.00 72.31 S ATOM 0 H CYS A 29 0.529 -3.305 5.271 1.00 43.04 H new ATOM 0 HA CYS A 29 -2.224 -4.310 4.896 1.00 15.40 H new ATOM 0 HB2 CYS A 29 0.314 -5.615 4.247 1.00 43.15 H new ATOM 0 HB3 CYS A 29 -0.587 -6.526 5.442 1.00 43.15 H new ATOM 0 HG CYS A 29 -1.205 -7.569 2.893 1.00 72.31 H new ATOM 374 N GLU A 30 -2.363 -5.029 7.310 1.00 70.11 N ATOM 375 CA GLU A 30 -2.517 -5.170 8.753 1.00 5.11 C ATOM 376 C GLU A 30 -3.362 -6.394 9.093 1.00 0.15 C ATOM 377 O GLU A 30 -4.592 -6.339 9.071 1.00 53.43 O ATOM 378 CB GLU A 30 -3.157 -3.913 9.345 1.00 34.02 C ATOM 379 CG GLU A 30 -3.381 -3.993 10.846 1.00 72.10 C ATOM 380 CD GLU A 30 -4.063 -2.757 11.401 1.00 62.50 C ATOM 381 OE1 GLU A 30 -4.844 -2.894 12.366 1.00 62.51 O ATOM 382 OE2 GLU A 30 -3.816 -1.654 10.871 1.00 62.32 O ATOM 0 H GLU A 30 -3.185 -5.299 6.769 1.00 70.11 H new ATOM 0 HA GLU A 30 -1.526 -5.303 9.187 1.00 5.11 H new ATOM 0 HB2 GLU A 30 -2.522 -3.055 9.126 1.00 34.02 H new ATOM 0 HB3 GLU A 30 -4.113 -3.736 8.852 1.00 34.02 H new ATOM 0 HG2 GLU A 30 -3.987 -4.870 11.073 1.00 72.10 H new ATOM 0 HG3 GLU A 30 -2.422 -4.130 11.346 1.00 72.10 H new ATOM 389 N LEU A 31 -2.694 -7.498 9.408 1.00 2.03 N ATOM 390 CA LEU A 31 -3.382 -8.737 9.753 1.00 15.13 C ATOM 391 C LEU A 31 -2.634 -9.489 10.848 1.00 25.54 C ATOM 392 O LEU A 31 -1.553 -9.078 11.272 1.00 14.51 O ATOM 393 CB LEU A 31 -3.527 -9.625 8.516 1.00 50.40 C ATOM 394 CG LEU A 31 -4.843 -10.394 8.392 1.00 25.20 C ATOM 395 CD1 LEU A 31 -5.885 -9.556 7.668 1.00 30.13 C ATOM 396 CD2 LEU A 31 -4.622 -11.715 7.669 1.00 3.11 C ATOM 0 H LEU A 31 -1.676 -7.561 9.432 1.00 2.03 H new ATOM 0 HA LEU A 31 -4.373 -8.481 10.127 1.00 15.13 H new ATOM 0 HB2 LEU A 31 -3.409 -9.001 7.630 1.00 50.40 H new ATOM 0 HB3 LEU A 31 -2.708 -10.344 8.511 1.00 50.40 H new ATOM 0 HG LEU A 31 -5.212 -10.608 9.395 1.00 25.20 H new ATOM 0 HD11 LEU A 31 -6.815 -10.120 7.589 1.00 30.13 H new ATOM 0 HD12 LEU A 31 -6.064 -8.637 8.226 1.00 30.13 H new ATOM 0 HD13 LEU A 31 -5.524 -9.310 6.669 1.00 30.13 H new ATOM 0 HD21 LEU A 31 -5.569 -12.249 7.590 1.00 3.11 H new ATOM 0 HD22 LEU A 31 -4.229 -11.522 6.671 1.00 3.11 H new ATOM 0 HD23 LEU A 31 -3.909 -12.321 8.228 1.00 3.11 H new ATOM 408 N PHE A 32 -3.213 -10.596 11.301 1.00 34.04 N ATOM 409 CA PHE A 32 -2.600 -11.407 12.347 1.00 73.54 C ATOM 410 C PHE A 32 -1.241 -11.936 11.898 1.00 42.40 C ATOM 411 O PHE A 32 -0.688 -11.485 10.895 1.00 41.53 O ATOM 412 CB PHE A 32 -3.516 -12.575 12.718 1.00 33.32 C ATOM 413 CG PHE A 32 -3.920 -13.418 11.542 1.00 31.24 C ATOM 414 CD1 PHE A 32 -3.067 -14.389 11.044 1.00 62.33 C ATOM 415 CD2 PHE A 32 -5.153 -13.239 10.936 1.00 62.05 C ATOM 416 CE1 PHE A 32 -3.435 -15.167 9.962 1.00 14.10 C ATOM 417 CE2 PHE A 32 -5.527 -14.014 9.854 1.00 41.10 C ATOM 418 CZ PHE A 32 -4.667 -14.978 9.366 1.00 62.12 C ATOM 0 H PHE A 32 -4.106 -10.952 10.960 1.00 34.04 H new ATOM 0 HA PHE A 32 -2.454 -10.776 13.223 1.00 73.54 H new ATOM 0 HB2 PHE A 32 -3.010 -13.205 13.449 1.00 33.32 H new ATOM 0 HB3 PHE A 32 -4.412 -12.184 13.200 1.00 33.32 H new ATOM 0 HD1 PHE A 32 -2.103 -14.540 11.506 1.00 62.33 H new ATOM 0 HD2 PHE A 32 -5.829 -12.486 11.313 1.00 62.05 H new ATOM 0 HE1 PHE A 32 -2.761 -15.921 9.583 1.00 14.10 H new ATOM 0 HE2 PHE A 32 -6.491 -13.866 9.391 1.00 41.10 H new ATOM 0 HZ PHE A 32 -4.957 -15.583 8.520 1.00 62.12 H new ATOM 428 N ASP A 33 -0.708 -12.893 12.649 1.00 60.23 N ATOM 429 CA ASP A 33 0.587 -13.484 12.329 1.00 15.03 C ATOM 430 C ASP A 33 0.771 -13.604 10.820 1.00 64.12 C ATOM 431 O ASP A 33 -0.003 -13.045 10.042 1.00 30.53 O ATOM 432 CB ASP A 33 0.718 -14.860 12.983 1.00 61.50 C ATOM 433 CG ASP A 33 -0.178 -15.897 12.335 1.00 75.10 C ATOM 434 OD1 ASP A 33 0.191 -16.412 11.258 1.00 13.34 O ATOM 435 OD2 ASP A 33 -1.249 -16.195 12.905 1.00 41.42 O ATOM 0 H ASP A 33 -1.152 -13.276 13.483 1.00 60.23 H new ATOM 0 HA ASP A 33 1.365 -12.829 12.720 1.00 15.03 H new ATOM 0 HB2 ASP A 33 1.755 -15.191 12.922 1.00 61.50 H new ATOM 0 HB3 ASP A 33 0.471 -14.781 14.042 1.00 61.50 H new ATOM 440 N CYS A 34 1.803 -14.336 10.412 1.00 52.34 N ATOM 441 CA CYS A 34 2.091 -14.529 8.996 1.00 45.53 C ATOM 442 C CYS A 34 3.130 -15.629 8.797 1.00 0.22 C ATOM 443 O CYS A 34 3.585 -16.247 9.759 1.00 2.51 O ATOM 444 CB CYS A 34 2.590 -13.223 8.373 1.00 62.00 C ATOM 445 SG CYS A 34 4.405 -13.068 8.323 1.00 34.53 S ATOM 0 H CYS A 34 2.453 -14.805 11.042 1.00 52.34 H new ATOM 0 HA CYS A 34 1.168 -14.831 8.501 1.00 45.53 H new ATOM 0 HB2 CYS A 34 2.201 -13.146 7.358 1.00 62.00 H new ATOM 0 HB3 CYS A 34 2.180 -12.385 8.936 1.00 62.00 H new ATOM 450 N GLU A 35 3.499 -15.867 7.543 1.00 44.04 N ATOM 451 CA GLU A 35 4.484 -16.893 7.218 1.00 14.14 C ATOM 452 C GLU A 35 5.761 -16.267 6.665 1.00 14.54 C ATOM 453 O GLU A 35 5.712 -15.405 5.788 1.00 3.11 O ATOM 454 CB GLU A 35 3.907 -17.882 6.203 1.00 13.14 C ATOM 455 CG GLU A 35 4.911 -18.915 5.722 1.00 63.23 C ATOM 456 CD GLU A 35 5.639 -19.598 6.864 1.00 74.35 C ATOM 457 OE1 GLU A 35 6.880 -19.714 6.790 1.00 30.53 O ATOM 458 OE2 GLU A 35 4.967 -20.017 7.830 1.00 42.35 O ATOM 0 H GLU A 35 3.131 -15.364 6.735 1.00 44.04 H new ATOM 0 HA GLU A 35 4.730 -17.427 8.136 1.00 14.14 H new ATOM 0 HB2 GLU A 35 3.057 -18.396 6.652 1.00 13.14 H new ATOM 0 HB3 GLU A 35 3.528 -17.328 5.344 1.00 13.14 H new ATOM 0 HG2 GLU A 35 4.395 -19.666 5.124 1.00 63.23 H new ATOM 0 HG3 GLU A 35 5.639 -18.433 5.069 1.00 63.23 H new ATOM 465 N ALA A 36 6.902 -16.706 7.186 1.00 14.00 N ATOM 466 CA ALA A 36 8.191 -16.190 6.744 1.00 25.43 C ATOM 467 C ALA A 36 8.368 -16.369 5.240 1.00 23.23 C ATOM 468 O ALA A 36 7.689 -17.185 4.617 1.00 33.22 O ATOM 469 CB ALA A 36 9.321 -16.879 7.496 1.00 33.31 C ATOM 0 H ALA A 36 6.960 -17.418 7.914 1.00 14.00 H new ATOM 0 HA ALA A 36 8.221 -15.122 6.962 1.00 25.43 H new ATOM 0 HB1 ALA A 36 10.278 -16.484 7.156 1.00 33.31 H new ATOM 0 HB2 ALA A 36 9.212 -16.695 8.565 1.00 33.31 H new ATOM 0 HB3 ALA A 36 9.283 -17.952 7.306 1.00 33.31 H new ATOM 475 N LYS A 37 9.285 -15.601 4.662 1.00 52.35 N ATOM 476 CA LYS A 37 9.552 -15.674 3.230 1.00 1.01 C ATOM 477 C LYS A 37 10.608 -16.732 2.927 1.00 4.13 C ATOM 478 O LYS A 37 11.073 -17.435 3.825 1.00 72.43 O ATOM 479 CB LYS A 37 10.014 -14.312 2.706 1.00 22.23 C ATOM 480 CG LYS A 37 8.932 -13.546 1.966 1.00 73.34 C ATOM 481 CD LYS A 37 7.658 -13.446 2.788 1.00 73.15 C ATOM 482 CE LYS A 37 6.778 -12.299 2.315 1.00 41.23 C ATOM 483 NZ LYS A 37 6.414 -12.435 0.877 1.00 4.10 N ATOM 0 H LYS A 37 9.856 -14.921 5.163 1.00 52.35 H new ATOM 0 HA LYS A 37 8.627 -15.955 2.727 1.00 1.01 H new ATOM 0 HB2 LYS A 37 10.365 -13.710 3.544 1.00 22.23 H new ATOM 0 HB3 LYS A 37 10.864 -14.458 2.040 1.00 22.23 H new ATOM 0 HG2 LYS A 37 9.292 -12.545 1.728 1.00 73.34 H new ATOM 0 HG3 LYS A 37 8.717 -14.041 1.019 1.00 73.34 H new ATOM 0 HD2 LYS A 37 7.105 -14.383 2.719 1.00 73.15 H new ATOM 0 HD3 LYS A 37 7.912 -13.302 3.838 1.00 73.15 H new ATOM 0 HE2 LYS A 37 5.870 -12.265 2.918 1.00 41.23 H new ATOM 0 HE3 LYS A 37 7.299 -11.354 2.470 1.00 41.23 H new ATOM 0 HZ1 LYS A 37 5.696 -11.724 0.632 1.00 4.10 H new ATOM 0 HZ2 LYS A 37 7.260 -12.289 0.290 1.00 4.10 H new ATOM 0 HZ3 LYS A 37 6.032 -13.387 0.704 1.00 4.10 H new ATOM 497 N LYS A 38 10.985 -16.839 1.658 1.00 43.34 N ATOM 498 CA LYS A 38 11.989 -17.809 1.236 1.00 41.40 C ATOM 499 C LYS A 38 13.338 -17.133 1.009 1.00 15.55 C ATOM 500 O LYS A 38 13.440 -15.908 0.933 1.00 70.03 O ATOM 501 CB LYS A 38 11.539 -18.515 -0.045 1.00 1.20 C ATOM 502 CG LYS A 38 10.649 -17.660 -0.930 1.00 51.03 C ATOM 503 CD LYS A 38 9.184 -17.802 -0.551 1.00 43.31 C ATOM 504 CE LYS A 38 8.464 -16.463 -0.598 1.00 43.23 C ATOM 505 NZ LYS A 38 7.178 -16.498 0.151 1.00 73.12 N ATOM 0 H LYS A 38 10.610 -16.265 0.903 1.00 43.34 H new ATOM 0 HA LYS A 38 12.101 -18.547 2.030 1.00 41.40 H new ATOM 0 HB2 LYS A 38 12.420 -18.816 -0.612 1.00 1.20 H new ATOM 0 HB3 LYS A 38 11.004 -19.427 0.221 1.00 1.20 H new ATOM 0 HG2 LYS A 38 10.948 -16.615 -0.847 1.00 51.03 H new ATOM 0 HG3 LYS A 38 10.786 -17.948 -1.972 1.00 51.03 H new ATOM 0 HD2 LYS A 38 8.698 -18.502 -1.230 1.00 43.31 H new ATOM 0 HD3 LYS A 38 9.105 -18.224 0.451 1.00 43.31 H new ATOM 0 HE2 LYS A 38 9.108 -15.690 -0.178 1.00 43.23 H new ATOM 0 HE3 LYS A 38 8.272 -16.190 -1.636 1.00 43.23 H new ATOM 0 HZ1 LYS A 38 6.718 -15.567 0.095 1.00 73.12 H new ATOM 0 HZ2 LYS A 38 6.554 -17.218 -0.265 1.00 73.12 H new ATOM 0 HZ3 LYS A 38 7.363 -16.733 1.147 1.00 73.12 H new ATOM 519 N PRO A 39 14.398 -17.947 0.898 1.00 15.13 N ATOM 520 CA PRO A 39 15.758 -17.449 0.677 1.00 64.13 C ATOM 521 C PRO A 39 15.941 -16.861 -0.718 1.00 55.32 C ATOM 522 O PRO A 39 16.888 -16.116 -0.969 1.00 41.21 O ATOM 523 CB PRO A 39 16.625 -18.699 0.847 1.00 4.03 C ATOM 524 CG PRO A 39 15.719 -19.836 0.523 1.00 10.13 C ATOM 525 CD PRO A 39 14.349 -19.416 0.980 1.00 60.43 C ATOM 0 HA PRO A 39 16.012 -16.640 1.362 1.00 64.13 H new ATOM 0 HB2 PRO A 39 17.487 -18.677 0.180 1.00 4.03 H new ATOM 0 HB3 PRO A 39 17.011 -18.778 1.863 1.00 4.03 H new ATOM 0 HG2 PRO A 39 15.726 -20.048 -0.546 1.00 10.13 H new ATOM 0 HG3 PRO A 39 16.038 -20.746 1.031 1.00 10.13 H new ATOM 0 HD2 PRO A 39 13.568 -19.828 0.341 1.00 60.43 H new ATOM 0 HD3 PRO A 39 14.142 -19.755 1.995 1.00 60.43 H new ATOM 533 N ASP A 40 15.028 -17.199 -1.622 1.00 34.42 N ATOM 534 CA ASP A 40 15.087 -16.703 -2.992 1.00 32.03 C ATOM 535 C ASP A 40 14.703 -15.228 -3.052 1.00 54.14 C ATOM 536 O ASP A 40 14.421 -14.693 -4.124 1.00 35.03 O ATOM 537 CB ASP A 40 14.162 -17.521 -3.894 1.00 34.32 C ATOM 538 CG ASP A 40 14.628 -17.541 -5.336 1.00 40.22 C ATOM 539 OD1 ASP A 40 13.767 -17.480 -6.239 1.00 63.13 O ATOM 540 OD2 ASP A 40 15.854 -17.616 -5.562 1.00 13.20 O ATOM 0 H ASP A 40 14.238 -17.815 -1.431 1.00 34.42 H new ATOM 0 HA ASP A 40 16.112 -16.808 -3.347 1.00 32.03 H new ATOM 0 HB2 ASP A 40 14.105 -18.543 -3.520 1.00 34.32 H new ATOM 0 HB3 ASP A 40 13.155 -17.108 -3.847 1.00 34.32 H new ATOM 545 N GLY A 41 14.693 -14.576 -1.894 1.00 11.24 N ATOM 546 CA GLY A 41 14.341 -13.169 -1.837 1.00 74.10 C ATOM 547 C GLY A 41 14.581 -12.566 -0.467 1.00 52.03 C ATOM 548 O GLY A 41 15.110 -11.461 -0.352 1.00 41.44 O ATOM 0 H GLY A 41 14.922 -14.997 -0.994 1.00 11.24 H new ATOM 0 HA2 GLY A 41 14.923 -12.622 -2.578 1.00 74.10 H new ATOM 0 HA3 GLY A 41 13.291 -13.049 -2.104 1.00 74.10 H new ATOM 552 N SER A 42 14.189 -13.293 0.575 1.00 44.34 N ATOM 553 CA SER A 42 14.360 -12.820 1.944 1.00 60.35 C ATOM 554 C SER A 42 13.751 -13.804 2.938 1.00 73.13 C ATOM 555 O SER A 42 12.542 -13.800 3.170 1.00 34.14 O ATOM 556 CB SER A 42 13.718 -11.442 2.114 1.00 72.24 C ATOM 557 OG SER A 42 12.668 -11.483 3.065 1.00 4.51 O ATOM 0 H SER A 42 13.751 -14.211 0.497 1.00 44.34 H new ATOM 0 HA SER A 42 15.428 -12.742 2.145 1.00 60.35 H new ATOM 0 HB2 SER A 42 14.473 -10.722 2.431 1.00 72.24 H new ATOM 0 HB3 SER A 42 13.331 -11.097 1.155 1.00 72.24 H new ATOM 0 HG SER A 42 12.057 -12.218 2.847 1.00 4.51 H new ATOM 563 N TYR A 43 14.597 -14.646 3.521 1.00 14.21 N ATOM 564 CA TYR A 43 14.143 -15.638 4.489 1.00 54.34 C ATOM 565 C TYR A 43 13.662 -14.967 5.772 1.00 43.11 C ATOM 566 O TYR A 43 14.347 -14.111 6.332 1.00 30.51 O ATOM 567 CB TYR A 43 15.268 -16.624 4.806 1.00 50.12 C ATOM 568 CG TYR A 43 14.823 -17.801 5.644 1.00 61.12 C ATOM 569 CD1 TYR A 43 15.073 -17.840 7.010 1.00 23.11 C ATOM 570 CD2 TYR A 43 14.154 -18.875 5.070 1.00 52.33 C ATOM 571 CE1 TYR A 43 14.669 -18.914 7.780 1.00 44.11 C ATOM 572 CE2 TYR A 43 13.745 -19.952 5.832 1.00 51.22 C ATOM 573 CZ TYR A 43 14.005 -19.967 7.186 1.00 2.12 C ATOM 574 OH TYR A 43 13.601 -21.039 7.949 1.00 52.24 O ATOM 0 H TYR A 43 15.601 -14.662 3.340 1.00 14.21 H new ATOM 0 HA TYR A 43 13.306 -16.181 4.049 1.00 54.34 H new ATOM 0 HB2 TYR A 43 15.690 -16.993 3.871 1.00 50.12 H new ATOM 0 HB3 TYR A 43 16.065 -16.097 5.330 1.00 50.12 H new ATOM 0 HD1 TYR A 43 15.592 -17.017 7.478 1.00 23.11 H new ATOM 0 HD2 TYR A 43 13.950 -18.868 4.009 1.00 52.33 H new ATOM 0 HE1 TYR A 43 14.872 -18.929 8.841 1.00 44.11 H new ATOM 0 HE2 TYR A 43 13.224 -20.778 5.370 1.00 51.22 H new ATOM 0 HH TYR A 43 13.147 -21.694 7.379 1.00 52.24 H new ATOM 584 N ALA A 44 12.480 -15.363 6.232 1.00 51.31 N ATOM 585 CA ALA A 44 11.908 -14.803 7.450 1.00 12.01 C ATOM 586 C ALA A 44 11.045 -13.584 7.142 1.00 73.33 C ATOM 587 O ALA A 44 11.438 -12.712 6.366 1.00 25.25 O ATOM 588 CB ALA A 44 13.011 -14.436 8.431 1.00 4.12 C ATOM 0 H ALA A 44 11.900 -16.069 5.780 1.00 51.31 H new ATOM 0 HA ALA A 44 11.270 -15.562 7.904 1.00 12.01 H new ATOM 0 HB1 ALA A 44 12.569 -14.019 9.336 1.00 4.12 H new ATOM 0 HB2 ALA A 44 13.584 -15.328 8.685 1.00 4.12 H new ATOM 0 HB3 ALA A 44 13.671 -13.698 7.976 1.00 4.12 H new ATOM 594 N HIS A 45 9.865 -13.530 7.753 1.00 63.24 N ATOM 595 CA HIS A 45 8.946 -12.417 7.543 1.00 71.44 C ATOM 596 C HIS A 45 8.210 -12.070 8.833 1.00 34.30 C ATOM 597 O HIS A 45 7.735 -12.943 9.560 1.00 60.53 O ATOM 598 CB HIS A 45 7.940 -12.760 6.444 1.00 74.12 C ATOM 599 CG HIS A 45 7.448 -11.564 5.687 1.00 22.45 C ATOM 600 ND1 HIS A 45 6.141 -11.127 5.737 1.00 23.40 N ATOM 601 CD2 HIS A 45 8.098 -10.711 4.861 1.00 35.41 C ATOM 602 CE1 HIS A 45 6.008 -10.058 4.972 1.00 34.45 C ATOM 603 NE2 HIS A 45 7.180 -9.785 4.430 1.00 43.12 N ATOM 0 H HIS A 45 9.523 -14.244 8.397 1.00 63.24 H new ATOM 0 HA HIS A 45 9.529 -11.549 7.234 1.00 71.44 H new ATOM 0 HB2 HIS A 45 8.402 -13.457 5.745 1.00 74.12 H new ATOM 0 HB3 HIS A 45 7.088 -13.273 6.890 1.00 74.12 H new ATOM 0 HD1 HIS A 45 5.394 -11.561 6.279 1.00 23.40 H new ATOM 0 HD2 HIS A 45 9.143 -10.751 4.591 1.00 35.41 H new ATOM 0 HE1 HIS A 45 5.095 -9.502 4.817 1.00 34.45 H new ATOM 611 N PRO A 46 8.112 -10.765 9.126 1.00 33.14 N ATOM 612 CA PRO A 46 7.435 -10.273 10.330 1.00 52.11 C ATOM 613 C PRO A 46 5.924 -10.473 10.268 1.00 3.50 C ATOM 614 O PRO A 46 5.328 -10.451 9.191 1.00 44.44 O ATOM 615 CB PRO A 46 7.777 -8.781 10.344 1.00 12.02 C ATOM 616 CG PRO A 46 8.043 -8.440 8.919 1.00 50.34 C ATOM 617 CD PRO A 46 8.654 -9.669 8.306 1.00 71.44 C ATOM 0 HA PRO A 46 7.756 -10.806 11.225 1.00 52.11 H new ATOM 0 HB2 PRO A 46 6.954 -8.190 10.745 1.00 12.02 H new ATOM 0 HB3 PRO A 46 8.648 -8.580 10.968 1.00 12.02 H new ATOM 0 HG2 PRO A 46 7.122 -8.164 8.405 1.00 50.34 H new ATOM 0 HG3 PRO A 46 8.719 -7.588 8.841 1.00 50.34 H new ATOM 0 HD2 PRO A 46 8.375 -9.776 7.258 1.00 71.44 H new ATOM 0 HD3 PRO A 46 9.743 -9.639 8.345 1.00 71.44 H new ATOM 625 N CYS A 47 5.310 -10.667 11.430 1.00 12.21 N ATOM 626 CA CYS A 47 3.868 -10.870 11.509 1.00 63.43 C ATOM 627 C CYS A 47 3.328 -10.419 12.863 1.00 43.34 C ATOM 628 O CYS A 47 4.076 -9.929 13.709 1.00 43.43 O ATOM 629 CB CYS A 47 3.527 -12.344 11.277 1.00 52.42 C ATOM 630 SG CYS A 47 4.823 -13.279 10.403 1.00 40.44 S ATOM 0 H CYS A 47 5.789 -10.688 12.331 1.00 12.21 H new ATOM 0 HA CYS A 47 3.398 -10.268 10.732 1.00 63.43 H new ATOM 0 HB2 CYS A 47 3.339 -12.818 12.240 1.00 52.42 H new ATOM 0 HB3 CYS A 47 2.601 -12.406 10.705 1.00 52.42 H new ATOM 635 N ARG A 48 2.025 -10.588 13.060 1.00 51.22 N ATOM 636 CA ARG A 48 1.384 -10.197 14.310 1.00 62.03 C ATOM 637 C ARG A 48 1.926 -11.016 15.478 1.00 73.55 C ATOM 638 O ARG A 48 3.138 -11.144 15.650 1.00 50.11 O ATOM 639 CB ARG A 48 -0.132 -10.374 14.208 1.00 62.52 C ATOM 640 CG ARG A 48 -0.913 -9.518 15.191 1.00 23.00 C ATOM 641 CD ARG A 48 -1.811 -8.523 14.472 1.00 23.24 C ATOM 642 NE ARG A 48 -3.219 -8.901 14.551 1.00 32.10 N ATOM 643 CZ ARG A 48 -4.220 -8.067 14.289 1.00 25.22 C ATOM 644 NH1 ARG A 48 -3.967 -6.815 13.933 1.00 34.22 N ATOM 645 NH2 ARG A 48 -5.475 -8.485 14.383 1.00 73.53 N ATOM 0 H ARG A 48 1.392 -10.993 12.370 1.00 51.22 H new ATOM 0 HA ARG A 48 1.608 -9.146 14.491 1.00 62.03 H new ATOM 0 HB2 ARG A 48 -0.450 -10.130 13.194 1.00 62.52 H new ATOM 0 HB3 ARG A 48 -0.379 -11.422 14.376 1.00 62.52 H new ATOM 0 HG2 ARG A 48 -1.518 -10.159 15.832 1.00 23.00 H new ATOM 0 HG3 ARG A 48 -0.220 -8.982 15.839 1.00 23.00 H new ATOM 0 HD2 ARG A 48 -1.676 -7.533 14.907 1.00 23.24 H new ATOM 0 HD3 ARG A 48 -1.512 -8.455 13.426 1.00 23.24 H new ATOM 0 HE ARG A 48 -3.447 -9.858 14.822 1.00 32.10 H new ATOM 0 HH11 ARG A 48 -3.003 -6.491 13.860 1.00 34.22 H new ATOM 0 HH12 ARG A 48 -4.737 -6.176 13.732 1.00 34.22 H new ATOM 0 HH21 ARG A 48 -5.673 -9.447 14.657 1.00 73.53 H new ATOM 0 HH22 ARG A 48 -6.242 -7.844 14.182 1.00 73.53 H new ATOM 659 N ARG A 49 1.019 -11.569 16.277 1.00 71.14 N ATOM 660 CA ARG A 49 1.405 -12.375 17.429 1.00 43.52 C ATOM 661 C ARG A 49 2.329 -13.514 17.010 1.00 24.31 C ATOM 662 O ARG A 49 1.923 -14.676 16.977 1.00 34.33 O ATOM 663 CB ARG A 49 0.164 -12.939 18.123 1.00 42.32 C ATOM 664 CG ARG A 49 0.068 -12.569 19.594 1.00 23.30 C ATOM 665 CD ARG A 49 0.292 -13.779 20.488 1.00 61.01 C ATOM 666 NE ARG A 49 -0.817 -14.727 20.414 1.00 3.42 N ATOM 667 CZ ARG A 49 -2.007 -14.509 20.962 1.00 31.11 C ATOM 668 NH1 ARG A 49 -2.242 -13.382 21.620 1.00 23.10 N ATOM 669 NH2 ARG A 49 -2.966 -15.420 20.852 1.00 41.40 N ATOM 0 H ARG A 49 0.012 -11.474 16.148 1.00 71.14 H new ATOM 0 HA ARG A 49 1.942 -11.733 18.127 1.00 43.52 H new ATOM 0 HB2 ARG A 49 -0.726 -12.578 17.607 1.00 42.32 H new ATOM 0 HB3 ARG A 49 0.168 -14.025 18.030 1.00 42.32 H new ATOM 0 HG2 ARG A 49 0.807 -11.802 19.826 1.00 23.30 H new ATOM 0 HG3 ARG A 49 -0.913 -12.140 19.799 1.00 23.30 H new ATOM 0 HD2 ARG A 49 1.216 -14.279 20.197 1.00 61.01 H new ATOM 0 HD3 ARG A 49 0.419 -13.449 21.519 1.00 61.01 H new ATOM 0 HE ARG A 49 -0.669 -15.604 19.914 1.00 3.42 H new ATOM 0 HH11 ARG A 49 -1.508 -12.679 21.706 1.00 23.10 H new ATOM 0 HH12 ARG A 49 -3.157 -13.218 22.040 1.00 23.10 H new ATOM 0 HH21 ARG A 49 -2.789 -16.288 20.346 1.00 41.40 H new ATOM 0 HH22 ARG A 49 -3.880 -15.252 21.273 1.00 41.40 H new ATOM 683 N CYS A 50 3.573 -13.174 16.691 1.00 51.44 N ATOM 684 CA CYS A 50 4.555 -14.168 16.273 1.00 73.04 C ATOM 685 C CYS A 50 5.974 -13.664 16.510 1.00 4.22 C ATOM 686 O CYS A 50 6.185 -12.688 17.231 1.00 52.02 O ATOM 687 CB CYS A 50 4.364 -14.514 14.795 1.00 11.40 C ATOM 688 SG CYS A 50 4.326 -16.288 14.451 1.00 73.30 S ATOM 0 H CYS A 50 3.925 -12.217 16.714 1.00 51.44 H new ATOM 0 HA CYS A 50 4.403 -15.066 16.872 1.00 73.04 H new ATOM 0 HB2 CYS A 50 3.433 -14.067 14.446 1.00 11.40 H new ATOM 0 HB3 CYS A 50 5.171 -14.060 14.220 1.00 11.40 H new ATOM 0 HG CYS A 50 4.158 -16.479 13.176 1.00 73.30 H new ATOM 694 N ASP A 51 6.945 -14.336 15.901 1.00 31.14 N ATOM 695 CA ASP A 51 8.345 -13.957 16.047 1.00 45.10 C ATOM 696 C ASP A 51 8.741 -12.926 14.995 1.00 44.41 C ATOM 697 O ASP A 51 8.129 -12.843 13.931 1.00 35.10 O ATOM 698 CB ASP A 51 9.244 -15.189 15.934 1.00 21.45 C ATOM 699 CG ASP A 51 9.943 -15.517 17.239 1.00 31.52 C ATOM 700 OD1 ASP A 51 11.025 -14.948 17.493 1.00 43.15 O ATOM 701 OD2 ASP A 51 9.407 -16.343 18.007 1.00 21.15 O ATOM 0 H ASP A 51 6.788 -15.146 15.301 1.00 31.14 H new ATOM 0 HA ASP A 51 8.474 -13.512 17.034 1.00 45.10 H new ATOM 0 HB2 ASP A 51 8.646 -16.044 15.621 1.00 21.45 H new ATOM 0 HB3 ASP A 51 9.990 -15.021 15.158 1.00 21.45 H new ATOM 706 N ALA A 52 9.769 -12.141 15.301 1.00 43.44 N ATOM 707 CA ALA A 52 10.247 -11.115 14.381 1.00 25.53 C ATOM 708 C ALA A 52 11.142 -11.719 13.303 1.00 14.43 C ATOM 709 O ALA A 52 11.804 -12.730 13.528 1.00 25.31 O ATOM 710 CB ALA A 52 10.994 -10.030 15.143 1.00 62.41 C ATOM 0 H ALA A 52 10.287 -12.196 16.178 1.00 43.44 H new ATOM 0 HA ALA A 52 9.382 -10.669 13.891 1.00 25.53 H new ATOM 0 HB1 ALA A 52 11.345 -9.271 14.444 1.00 62.41 H new ATOM 0 HB2 ALA A 52 10.326 -9.571 15.872 1.00 62.41 H new ATOM 0 HB3 ALA A 52 11.847 -10.470 15.660 1.00 62.41 H new ATOM 716 N ASN A 53 11.154 -11.091 12.132 1.00 40.12 N ATOM 717 CA ASN A 53 11.966 -11.567 11.018 1.00 22.21 C ATOM 718 C ASN A 53 12.424 -10.405 10.142 1.00 12.23 C ATOM 719 O ASN A 53 11.656 -9.882 9.336 1.00 14.02 O ATOM 720 CB ASN A 53 11.177 -12.574 10.178 1.00 2.50 C ATOM 721 CG ASN A 53 10.886 -13.855 10.934 1.00 33.32 C ATOM 722 OD1 ASN A 53 11.912 -14.419 11.560 1.00 31.34 O flip ATOM 723 ND2 ASN A 53 9.751 -14.332 10.955 1.00 22.30 N flip ATOM 0 H ASN A 53 10.611 -10.252 11.930 1.00 40.12 H new ATOM 0 HA ASN A 53 12.848 -12.058 11.428 1.00 22.21 H new ATOM 0 HB2 ASN A 53 10.238 -12.121 9.861 1.00 2.50 H new ATOM 0 HB3 ASN A 53 11.739 -12.809 9.274 1.00 2.50 H new ATOM 0 HD21 ASN A 53 8.992 -13.864 10.459 1.00 22.30 H new ATOM 0 HD22 ASN A 53 9.570 -15.195 11.468 1.00 22.30 H new ATOM 730 N ASN A 54 13.681 -10.006 10.307 1.00 60.21 N ATOM 731 CA ASN A 54 14.242 -8.906 9.531 1.00 14.44 C ATOM 732 C ASN A 54 15.279 -9.415 8.536 1.00 44.12 C ATOM 733 O ASN A 54 16.417 -9.707 8.905 1.00 63.01 O ATOM 734 CB ASN A 54 14.876 -7.870 10.462 1.00 63.12 C ATOM 735 CG ASN A 54 15.165 -8.432 11.840 1.00 5.35 C ATOM 736 OD1 ASN A 54 14.174 -9.088 12.432 1.00 14.21 O flip ATOM 737 ND2 ASN A 54 16.268 -8.278 12.367 1.00 52.31 N flip ATOM 0 H ASN A 54 14.330 -10.428 10.971 1.00 60.21 H new ATOM 0 HA ASN A 54 13.431 -8.436 8.974 1.00 14.44 H new ATOM 0 HB2 ASN A 54 15.803 -7.507 10.019 1.00 63.12 H new ATOM 0 HB3 ASN A 54 14.209 -7.013 10.555 1.00 63.12 H new ATOM 0 HD21 ASN A 54 17.001 -7.767 11.876 1.00 52.31 H new ATOM 0 HD22 ASN A 54 16.448 -8.662 13.295 1.00 52.31 H new ATOM 853 N ILE A 63 14.253 -13.182 15.372 1.00 61.13 N ATOM 854 CA ILE A 63 14.002 -12.600 16.684 1.00 22.23 C ATOM 855 C ILE A 63 12.506 -12.487 16.958 1.00 5.35 C ATOM 856 O ILE A 63 11.671 -12.701 16.080 1.00 30.30 O ATOM 857 CB ILE A 63 14.644 -11.206 16.814 1.00 33.10 C ATOM 858 CG1 ILE A 63 14.876 -10.597 15.430 1.00 42.21 C ATOM 859 CG2 ILE A 63 15.952 -11.295 17.586 1.00 14.32 C ATOM 860 CD1 ILE A 63 15.661 -9.304 15.463 1.00 62.23 C ATOM 0 HA ILE A 63 14.454 -13.268 17.417 1.00 22.23 H new ATOM 0 HB ILE A 63 13.963 -10.558 17.366 1.00 33.10 H new ATOM 0 HG12 ILE A 63 15.406 -11.319 14.809 1.00 42.21 H new ATOM 0 HG13 ILE A 63 13.912 -10.415 14.956 1.00 42.21 H new ATOM 0 HG21 ILE A 63 16.394 -10.302 17.669 1.00 14.32 H new ATOM 0 HG22 ILE A 63 15.760 -11.692 18.583 1.00 14.32 H new ATOM 0 HG23 ILE A 63 16.641 -11.955 17.059 1.00 14.32 H new ATOM 0 HD11 ILE A 63 15.788 -8.929 14.447 1.00 62.23 H new ATOM 0 HD12 ILE A 63 15.122 -8.566 16.057 1.00 62.23 H new ATOM 0 HD13 ILE A 63 16.640 -9.484 15.908 1.00 62.23 H new ATOM 872 N PRO A 64 12.158 -12.139 18.206 1.00 24.34 N ATOM 873 CA PRO A 64 10.762 -11.987 18.625 1.00 11.42 C ATOM 874 C PRO A 64 10.098 -10.767 17.996 1.00 51.15 C ATOM 875 O PRO A 64 10.675 -9.679 17.969 1.00 54.10 O ATOM 876 CB PRO A 64 10.863 -11.816 20.143 1.00 24.30 C ATOM 877 CG PRO A 64 12.229 -11.268 20.372 1.00 3.42 C ATOM 878 CD PRO A 64 13.101 -11.868 19.304 1.00 23.25 C ATOM 0 HA PRO A 64 10.150 -12.835 18.317 1.00 11.42 H new ATOM 0 HB2 PRO A 64 10.096 -11.137 20.517 1.00 24.30 H new ATOM 0 HB3 PRO A 64 10.726 -12.767 20.659 1.00 24.30 H new ATOM 0 HG2 PRO A 64 12.228 -10.180 20.309 1.00 3.42 H new ATOM 0 HG3 PRO A 64 12.593 -11.530 21.366 1.00 3.42 H new ATOM 0 HD2 PRO A 64 13.889 -11.181 18.996 1.00 23.25 H new ATOM 0 HD3 PRO A 64 13.589 -12.780 19.649 1.00 23.25 H new ATOM 886 N CYS A 65 8.884 -10.955 17.491 1.00 52.15 N ATOM 887 CA CYS A 65 8.141 -9.869 16.860 1.00 22.04 C ATOM 888 C CYS A 65 8.207 -8.602 17.707 1.00 21.22 C ATOM 889 O CYS A 65 8.007 -8.644 18.920 1.00 0.33 O ATOM 890 CB CYS A 65 6.683 -10.278 16.645 1.00 3.02 C ATOM 891 SG CYS A 65 5.627 -8.947 16.026 1.00 62.51 S ATOM 0 H CYS A 65 8.393 -11.849 17.506 1.00 52.15 H new ATOM 0 HA CYS A 65 8.599 -9.662 15.893 1.00 22.04 H new ATOM 0 HB2 CYS A 65 6.650 -11.110 15.942 1.00 3.02 H new ATOM 0 HB3 CYS A 65 6.276 -10.642 17.588 1.00 3.02 H new ATOM 0 HG CYS A 65 4.727 -9.442 15.229 1.00 62.51 H new ATOM 897 N ASN A 66 8.491 -7.477 17.059 1.00 74.23 N ATOM 898 CA ASN A 66 8.585 -6.198 17.753 1.00 63.13 C ATOM 899 C ASN A 66 7.320 -5.921 18.558 1.00 33.24 C ATOM 900 O ASN A 66 7.213 -4.897 19.232 1.00 22.33 O ATOM 901 CB ASN A 66 8.823 -5.067 16.750 1.00 11.34 C ATOM 902 CG ASN A 66 10.296 -4.852 16.460 1.00 53.24 C ATOM 903 OD1 ASN A 66 11.102 -5.879 16.702 1.00 32.43 O flip ATOM 904 ND2 ASN A 66 10.703 -3.775 16.022 1.00 44.53 N flip ATOM 0 H ASN A 66 8.660 -7.425 16.054 1.00 74.23 H new ATOM 0 HA ASN A 66 9.428 -6.248 18.442 1.00 63.13 H new ATOM 0 HB2 ASN A 66 8.302 -5.294 15.820 1.00 11.34 H new ATOM 0 HB3 ASN A 66 8.393 -4.144 17.139 1.00 11.34 H new ATOM 0 HD21 ASN A 66 10.047 -3.013 15.851 1.00 44.53 H new ATOM 0 HD22 ASN A 66 11.696 -3.645 15.830 1.00 44.53 H new ATOM 911 N GLU A 67 6.364 -6.842 18.483 1.00 14.13 N ATOM 912 CA GLU A 67 5.105 -6.696 19.206 1.00 63.23 C ATOM 913 C GLU A 67 4.797 -7.950 20.020 1.00 40.43 C ATOM 914 O GLU A 67 3.846 -7.977 20.802 1.00 44.44 O ATOM 915 CB GLU A 67 3.961 -6.414 18.230 1.00 60.42 C ATOM 916 CG GLU A 67 4.408 -5.726 16.951 1.00 75.43 C ATOM 917 CD GLU A 67 4.490 -4.219 17.097 1.00 24.41 C ATOM 918 OE1 GLU A 67 5.390 -3.743 17.820 1.00 4.12 O ATOM 919 OE2 GLU A 67 3.656 -3.517 16.489 1.00 10.15 O ATOM 0 H GLU A 67 6.437 -7.696 17.930 1.00 14.13 H new ATOM 0 HA GLU A 67 5.204 -5.854 19.891 1.00 63.23 H new ATOM 0 HB2 GLU A 67 3.472 -7.354 17.975 1.00 60.42 H new ATOM 0 HB3 GLU A 67 3.216 -5.792 18.726 1.00 60.42 H new ATOM 0 HG2 GLU A 67 5.384 -6.112 16.657 1.00 75.43 H new ATOM 0 HG3 GLU A 67 3.713 -5.972 16.148 1.00 75.43 H new ATOM 926 N ASP A 68 5.607 -8.985 19.830 1.00 71.35 N ATOM 927 CA ASP A 68 5.422 -10.242 20.546 1.00 60.13 C ATOM 928 C ASP A 68 6.032 -10.167 21.942 1.00 50.31 C ATOM 929 O ASP A 68 7.135 -10.662 22.177 1.00 50.45 O ATOM 930 CB ASP A 68 6.049 -11.397 19.763 1.00 5.32 C ATOM 931 CG ASP A 68 6.255 -12.632 20.618 1.00 12.43 C ATOM 932 OD1 ASP A 68 5.278 -13.085 21.251 1.00 11.32 O ATOM 933 OD2 ASP A 68 7.392 -13.146 20.654 1.00 1.41 O ATOM 0 H ASP A 68 6.398 -8.979 19.186 1.00 71.35 H new ATOM 0 HA ASP A 68 4.351 -10.420 20.646 1.00 60.13 H new ATOM 0 HB2 ASP A 68 5.410 -11.647 18.916 1.00 5.32 H new ATOM 0 HB3 ASP A 68 7.008 -11.077 19.355 1.00 5.32 H new ATOM 938 N HIS A 69 5.308 -9.543 22.866 1.00 74.32 N ATOM 939 CA HIS A 69 5.778 -9.402 24.239 1.00 33.54 C ATOM 940 C HIS A 69 4.833 -10.103 25.211 1.00 23.24 C ATOM 941 O HIS A 69 4.035 -10.960 24.831 1.00 42.13 O ATOM 942 CB HIS A 69 5.904 -7.924 24.609 1.00 74.13 C ATOM 943 CG HIS A 69 6.254 -7.045 23.448 1.00 12.41 C ATOM 944 ND1 HIS A 69 5.897 -5.770 23.164 1.00 41.35 N flip ATOM 945 CD2 HIS A 69 7.064 -7.455 22.411 1.00 62.11 C flip ATOM 946 CE1 HIS A 69 6.493 -5.436 21.973 1.00 22.12 C flip ATOM 947 NE2 HIS A 69 7.192 -6.470 21.539 1.00 64.53 N flip ATOM 0 H HIS A 69 4.394 -9.127 22.688 1.00 74.32 H new ATOM 0 HA HIS A 69 6.759 -9.871 24.311 1.00 33.54 H new ATOM 0 HB2 HIS A 69 4.963 -7.584 25.041 1.00 74.13 H new ATOM 0 HB3 HIS A 69 6.666 -7.814 25.380 1.00 74.13 H new ATOM 0 HD1 HIS A 69 5.297 -5.170 23.730 1.00 41.35 H new ATOM 0 HD2 HIS A 69 7.523 -8.429 22.324 1.00 62.11 H new ATOM 0 HE1 HIS A 69 6.405 -4.483 21.472 1.00 22.12 H new ATOM 955 N PRO A 70 4.925 -9.733 26.497 1.00 11.33 N ATOM 956 CA PRO A 70 4.086 -10.314 27.550 1.00 4.51 C ATOM 957 C PRO A 70 2.627 -9.888 27.430 1.00 60.23 C ATOM 958 O PRO A 70 1.890 -9.880 28.416 1.00 35.30 O ATOM 959 CB PRO A 70 4.700 -9.760 28.838 1.00 2.24 C ATOM 960 CG PRO A 70 5.365 -8.492 28.427 1.00 65.05 C ATOM 961 CD PRO A 70 5.854 -8.718 27.022 1.00 13.33 C ATOM 0 HA PRO A 70 4.069 -11.403 27.503 1.00 4.51 H new ATOM 0 HB2 PRO A 70 3.936 -9.579 29.594 1.00 2.24 H new ATOM 0 HB3 PRO A 70 5.416 -10.461 29.268 1.00 2.24 H new ATOM 0 HG2 PRO A 70 4.668 -7.655 28.468 1.00 65.05 H new ATOM 0 HG3 PRO A 70 6.192 -8.251 29.094 1.00 65.05 H new ATOM 0 HD2 PRO A 70 5.822 -7.801 26.433 1.00 13.33 H new ATOM 0 HD3 PRO A 70 6.885 -9.071 27.007 1.00 13.33 H new ATOM 969 N CYS A 71 2.217 -9.536 26.216 1.00 13.25 N ATOM 970 CA CYS A 71 0.844 -9.109 25.968 1.00 44.35 C ATOM 971 C CYS A 71 0.349 -9.627 24.621 1.00 22.44 C ATOM 972 O CYS A 71 1.125 -10.155 23.824 1.00 62.20 O ATOM 973 CB CYS A 71 0.748 -7.583 26.007 1.00 41.14 C ATOM 974 SG CYS A 71 0.461 -6.903 27.657 1.00 21.44 S ATOM 0 H CYS A 71 2.815 -9.538 25.389 1.00 13.25 H new ATOM 0 HA CYS A 71 0.212 -9.526 26.752 1.00 44.35 H new ATOM 0 HB2 CYS A 71 1.670 -7.161 25.607 1.00 41.14 H new ATOM 0 HB3 CYS A 71 -0.060 -7.264 25.349 1.00 41.14 H new ATOM 0 HG CYS A 71 -0.549 -6.085 27.620 1.00 21.44 H new ATOM 980 N HIS A 72 -0.948 -9.475 24.375 1.00 32.13 N ATOM 981 CA HIS A 72 -1.548 -9.929 23.125 1.00 23.35 C ATOM 982 C HIS A 72 -0.819 -9.333 21.925 1.00 24.21 C ATOM 983 O HIS A 72 -0.064 -8.370 22.060 1.00 44.20 O ATOM 984 CB HIS A 72 -3.028 -9.550 23.078 1.00 40.42 C ATOM 985 CG HIS A 72 -3.926 -10.558 23.726 1.00 51.02 C ATOM 986 ND1 HIS A 72 -3.506 -11.404 24.730 1.00 33.32 N ATOM 987 CD2 HIS A 72 -5.229 -10.852 23.508 1.00 13.24 C ATOM 988 CE1 HIS A 72 -4.512 -12.176 25.101 1.00 21.35 C ATOM 989 NE2 HIS A 72 -5.569 -11.861 24.376 1.00 54.24 N ATOM 0 H HIS A 72 -1.604 -9.041 25.024 1.00 32.13 H new ATOM 0 HA HIS A 72 -1.458 -11.014 23.080 1.00 23.35 H new ATOM 0 HB2 HIS A 72 -3.163 -8.586 23.569 1.00 40.42 H new ATOM 0 HB3 HIS A 72 -3.329 -9.423 22.038 1.00 40.42 H new ATOM 0 HD2 HIS A 72 -5.880 -10.381 22.786 1.00 13.24 H new ATOM 0 HE1 HIS A 72 -4.476 -12.936 25.868 1.00 21.35 H new ATOM 0 HE2 HIS A 72 -6.489 -12.296 24.448 1.00 54.24 H new ATOM 997 N HIS A 73 -1.049 -9.913 20.751 1.00 22.02 N ATOM 998 CA HIS A 73 -0.414 -9.439 19.527 1.00 45.02 C ATOM 999 C HIS A 73 -0.278 -7.919 19.538 1.00 34.30 C ATOM 1000 O HIS A 73 -0.941 -7.233 20.317 1.00 74.30 O ATOM 1001 CB HIS A 73 -1.219 -9.882 18.305 1.00 62.01 C ATOM 1002 CG HIS A 73 -2.583 -10.400 18.642 1.00 11.23 C ATOM 1003 ND1 HIS A 73 -3.556 -9.625 19.236 1.00 15.35 N ATOM 1004 CD2 HIS A 73 -3.135 -11.623 18.464 1.00 50.32 C ATOM 1005 CE1 HIS A 73 -4.648 -10.349 19.410 1.00 5.15 C ATOM 1006 NE2 HIS A 73 -4.418 -11.565 18.949 1.00 32.25 N ATOM 0 H HIS A 73 -1.670 -10.712 20.622 1.00 22.02 H new ATOM 0 HA HIS A 73 0.584 -9.875 19.473 1.00 45.02 H new ATOM 0 HB2 HIS A 73 -1.318 -9.039 17.621 1.00 62.01 H new ATOM 0 HB3 HIS A 73 -0.665 -10.658 17.777 1.00 62.01 H new ATOM 0 HD2 HIS A 73 -2.655 -12.484 18.023 1.00 50.32 H new ATOM 0 HE1 HIS A 73 -5.571 -10.005 19.853 1.00 5.15 H new ATOM 0 HE2 HIS A 73 -5.086 -12.336 18.953 1.00 32.25 H new ATOM 1014 N CYS A 74 0.584 -7.401 18.671 1.00 53.42 N ATOM 1015 CA CYS A 74 0.807 -5.962 18.582 1.00 11.11 C ATOM 1016 C CYS A 74 -0.421 -5.191 19.056 1.00 2.00 C ATOM 1017 O CYS A 74 -1.545 -5.688 18.984 1.00 31.34 O ATOM 1018 CB CYS A 74 1.150 -5.566 17.145 1.00 13.43 C ATOM 1019 SG CYS A 74 -0.284 -5.452 16.049 1.00 64.01 S ATOM 0 H CYS A 74 1.140 -7.955 18.020 1.00 53.42 H new ATOM 0 HA CYS A 74 1.645 -5.708 19.231 1.00 11.11 H new ATOM 0 HB2 CYS A 74 1.662 -4.604 17.157 1.00 13.43 H new ATOM 0 HB3 CYS A 74 1.850 -6.295 16.736 1.00 13.43 H new ATOM 0 HG CYS A 74 0.107 -5.109 14.857 1.00 64.01 H new ATOM 1025 N HIS A 75 -0.198 -3.974 19.542 1.00 2.01 N ATOM 1026 CA HIS A 75 -1.286 -3.134 20.029 1.00 32.14 C ATOM 1027 C HIS A 75 -2.625 -3.597 19.463 1.00 31.11 C ATOM 1028 O HIS A 75 -3.043 -3.155 18.394 1.00 41.34 O ATOM 1029 CB HIS A 75 -1.038 -1.673 19.654 1.00 54.20 C ATOM 1030 CG HIS A 75 -2.010 -0.720 20.281 1.00 65.42 C ATOM 1031 ND1 HIS A 75 -2.890 0.142 19.721 1.00 31.21 N flip ATOM 1032 CD2 HIS A 75 -2.150 -0.578 21.645 1.00 32.04 C flip ATOM 1033 CE1 HIS A 75 -3.541 0.782 20.747 1.00 55.11 C flip ATOM 1034 NE2 HIS A 75 -3.076 0.329 21.898 1.00 20.03 N flip ATOM 0 H HIS A 75 0.726 -3.548 19.609 1.00 2.01 H new ATOM 0 HA HIS A 75 -1.321 -3.221 21.115 1.00 32.14 H new ATOM 0 HB2 HIS A 75 -0.027 -1.396 19.952 1.00 54.20 H new ATOM 0 HB3 HIS A 75 -1.090 -1.571 18.570 1.00 54.20 H new ATOM 0 HD2 HIS A 75 -1.590 -1.123 22.390 1.00 32.04 H new ATOM 0 HE1 HIS A 75 -4.308 1.533 20.632 1.00 55.11 H new ATOM 0 HE2 HIS A 75 -3.380 0.629 22.824 1.00 20.03 H new ATOM 1042 N GLU A 76 -3.292 -4.490 20.188 1.00 63.44 N ATOM 1043 CA GLU A 76 -4.582 -5.014 19.755 1.00 13.24 C ATOM 1044 C GLU A 76 -5.228 -5.848 20.858 1.00 62.52 C ATOM 1045 O GLU A 76 -4.990 -7.052 20.958 1.00 12.45 O ATOM 1046 CB GLU A 76 -4.417 -5.859 18.491 1.00 71.32 C ATOM 1047 CG GLU A 76 -5.577 -5.733 17.518 1.00 14.40 C ATOM 1048 CD GLU A 76 -5.528 -4.447 16.715 1.00 23.20 C ATOM 1049 OE1 GLU A 76 -4.572 -4.276 15.929 1.00 32.01 O ATOM 1050 OE2 GLU A 76 -6.443 -3.613 16.872 1.00 12.14 O ATOM 0 H GLU A 76 -2.961 -4.865 21.077 1.00 63.44 H new ATOM 0 HA GLU A 76 -5.233 -4.168 19.534 1.00 13.24 H new ATOM 0 HB2 GLU A 76 -3.497 -5.566 17.986 1.00 71.32 H new ATOM 0 HB3 GLU A 76 -4.305 -6.905 18.776 1.00 71.32 H new ATOM 0 HG2 GLU A 76 -5.568 -6.583 16.836 1.00 14.40 H new ATOM 0 HG3 GLU A 76 -6.516 -5.777 18.070 1.00 14.40 H new ATOM 1057 N GLU A 77 -6.044 -5.200 21.682 1.00 55.30 N ATOM 1058 CA GLU A 77 -6.723 -5.882 22.778 1.00 42.22 C ATOM 1059 C GLU A 77 -5.721 -6.611 23.668 1.00 62.30 C ATOM 1060 O GLU A 77 -5.276 -7.713 23.346 1.00 22.34 O ATOM 1061 CB GLU A 77 -7.752 -6.873 22.231 1.00 34.24 C ATOM 1062 CG GLU A 77 -8.510 -7.623 23.314 1.00 25.24 C ATOM 1063 CD GLU A 77 -9.737 -8.337 22.781 1.00 43.41 C ATOM 1064 OE1 GLU A 77 -10.860 -7.848 23.027 1.00 64.24 O ATOM 1065 OE2 GLU A 77 -9.575 -9.383 22.118 1.00 5.55 O ATOM 0 H GLU A 77 -6.251 -4.204 21.612 1.00 55.30 H new ATOM 0 HA GLU A 77 -7.236 -5.131 23.378 1.00 42.22 H new ATOM 0 HB2 GLU A 77 -8.465 -6.336 21.606 1.00 34.24 H new ATOM 0 HB3 GLU A 77 -7.245 -7.593 21.589 1.00 34.24 H new ATOM 0 HG2 GLU A 77 -7.845 -8.350 23.780 1.00 25.24 H new ATOM 0 HG3 GLU A 77 -8.812 -6.922 24.092 1.00 25.24 H new ATOM 1072 N ASP A 78 -5.370 -5.988 24.788 1.00 72.34 N ATOM 1073 CA ASP A 78 -4.421 -6.577 25.725 1.00 33.23 C ATOM 1074 C ASP A 78 -4.855 -7.984 26.125 1.00 24.22 C ATOM 1075 O ASP A 78 -4.106 -8.947 25.956 1.00 3.43 O ATOM 1076 CB ASP A 78 -4.289 -5.698 26.970 1.00 42.12 C ATOM 1077 CG ASP A 78 -3.189 -4.663 26.833 1.00 33.21 C ATOM 1078 OD1 ASP A 78 -3.295 -3.799 25.937 1.00 31.14 O ATOM 1079 OD2 ASP A 78 -2.223 -4.717 27.622 1.00 13.25 O ATOM 0 H ASP A 78 -5.729 -5.075 25.069 1.00 72.34 H new ATOM 0 HA ASP A 78 -3.452 -6.641 25.230 1.00 33.23 H new ATOM 0 HB2 ASP A 78 -5.237 -5.194 27.158 1.00 42.12 H new ATOM 0 HB3 ASP A 78 -4.086 -6.328 27.836 1.00 42.12 H new ATOM 1084 N ASP A 79 -6.067 -8.096 26.657 1.00 41.52 N ATOM 1085 CA ASP A 79 -6.600 -9.385 27.081 1.00 12.21 C ATOM 1086 C ASP A 79 -8.083 -9.274 27.423 1.00 42.40 C ATOM 1087 O ASP A 79 -8.694 -8.221 27.246 1.00 42.32 O ATOM 1088 CB ASP A 79 -5.823 -9.909 28.290 1.00 74.33 C ATOM 1089 CG ASP A 79 -5.584 -8.837 29.334 1.00 43.31 C ATOM 1090 OD1 ASP A 79 -6.526 -8.070 29.624 1.00 1.22 O ATOM 1091 OD2 ASP A 79 -4.454 -8.765 29.861 1.00 14.44 O ATOM 0 H ASP A 79 -6.699 -7.309 26.805 1.00 41.52 H new ATOM 0 HA ASP A 79 -6.488 -10.087 26.254 1.00 12.21 H new ATOM 0 HB2 ASP A 79 -6.373 -10.735 28.741 1.00 74.33 H new ATOM 0 HB3 ASP A 79 -4.865 -10.308 27.957 1.00 74.33 H new ATOM 1096 N GLY A 80 -8.656 -10.369 27.913 1.00 2.34 N ATOM 1097 CA GLY A 80 -10.062 -10.373 28.271 1.00 32.40 C ATOM 1098 C GLY A 80 -10.306 -10.931 29.659 1.00 23.52 C ATOM 1099 O GLY A 80 -11.182 -11.775 29.852 1.00 42.33 O ATOM 0 H GLY A 80 -8.172 -11.253 28.068 1.00 2.34 H new ATOM 0 HA2 GLY A 80 -10.450 -9.356 28.219 1.00 32.40 H new ATOM 0 HA3 GLY A 80 -10.617 -10.964 27.543 1.00 32.40 H new ATOM 1103 N ASP A 81 -9.528 -10.462 30.628 1.00 11.15 N ATOM 1104 CA ASP A 81 -9.663 -10.920 32.006 1.00 1.04 C ATOM 1105 C ASP A 81 -10.076 -9.772 32.923 1.00 72.45 C ATOM 1106 O ASP A 81 -9.724 -8.616 32.686 1.00 71.22 O ATOM 1107 CB ASP A 81 -8.348 -11.530 32.494 1.00 32.44 C ATOM 1108 CG ASP A 81 -8.440 -13.033 32.676 1.00 3.21 C ATOM 1109 OD1 ASP A 81 -7.692 -13.576 33.517 1.00 53.32 O ATOM 1110 OD2 ASP A 81 -9.259 -13.666 31.978 1.00 12.52 O ATOM 0 H ASP A 81 -8.797 -9.765 30.485 1.00 11.15 H new ATOM 0 HA ASP A 81 -10.442 -11.682 32.035 1.00 1.04 H new ATOM 0 HB2 ASP A 81 -7.557 -11.301 31.780 1.00 32.44 H new ATOM 0 HB3 ASP A 81 -8.066 -11.069 33.440 1.00 32.44 H new ATOM 1115 N THR A 82 -10.827 -10.099 33.970 1.00 1.11 N ATOM 1116 CA THR A 82 -11.290 -9.096 34.921 1.00 74.04 C ATOM 1117 C THR A 82 -10.126 -8.278 35.468 1.00 34.34 C ATOM 1118 O THR A 82 -9.928 -7.126 35.083 1.00 52.24 O ATOM 1119 CB THR A 82 -12.047 -9.743 36.096 1.00 24.21 C ATOM 1120 OG1 THR A 82 -13.025 -10.664 35.602 1.00 55.15 O ATOM 1121 CG2 THR A 82 -12.726 -8.684 36.951 1.00 24.25 C ATOM 0 H THR A 82 -11.128 -11.051 34.181 1.00 1.11 H new ATOM 0 HA THR A 82 -11.970 -8.437 34.380 1.00 74.04 H new ATOM 0 HB THR A 82 -11.325 -10.278 36.713 1.00 24.21 H new ATOM 0 HG1 THR A 82 -13.500 -11.072 36.356 1.00 55.15 H new ATOM 0 HG21 THR A 82 -13.254 -9.165 37.774 1.00 24.25 H new ATOM 0 HG22 THR A 82 -11.975 -8.002 37.350 1.00 24.25 H new ATOM 0 HG23 THR A 82 -13.436 -8.125 36.342 1.00 24.25 H new ATOM 1129 N HIS A 83 -9.358 -8.882 36.370 1.00 41.42 N ATOM 1130 CA HIS A 83 -8.211 -8.209 36.970 1.00 14.31 C ATOM 1131 C HIS A 83 -7.325 -7.584 35.897 1.00 61.11 C ATOM 1132 O HIS A 83 -6.887 -6.440 36.028 1.00 21.52 O ATOM 1133 CB HIS A 83 -7.398 -9.193 37.811 1.00 60.44 C ATOM 1134 CG HIS A 83 -8.175 -9.806 38.935 1.00 51.30 C ATOM 1135 ND1 HIS A 83 -9.420 -9.356 39.322 1.00 4.34 N ATOM 1136 CD2 HIS A 83 -7.879 -10.840 39.756 1.00 65.42 C ATOM 1137 CE1 HIS A 83 -9.854 -10.086 40.334 1.00 11.20 C ATOM 1138 NE2 HIS A 83 -8.938 -10.994 40.616 1.00 23.21 N ATOM 0 H HIS A 83 -9.509 -9.835 36.701 1.00 41.42 H new ATOM 0 HA HIS A 83 -8.584 -7.414 37.615 1.00 14.31 H new ATOM 0 HB2 HIS A 83 -7.023 -9.986 37.165 1.00 60.44 H new ATOM 0 HB3 HIS A 83 -6.529 -8.677 38.220 1.00 60.44 H new ATOM 0 HD2 HIS A 83 -6.977 -11.434 39.738 1.00 65.42 H new ATOM 0 HE1 HIS A 83 -10.798 -9.961 40.844 1.00 11.20 H new ATOM 0 HE2 HIS A 83 -9.006 -11.696 41.353 1.00 23.21 H new ATOM 1146 N CYS A 84 -7.064 -8.342 34.837 1.00 11.35 N ATOM 1147 CA CYS A 84 -6.228 -7.863 33.742 1.00 12.12 C ATOM 1148 C CYS A 84 -6.756 -6.541 33.193 1.00 22.32 C ATOM 1149 O CYS A 84 -6.003 -5.581 33.029 1.00 53.53 O ATOM 1150 CB CYS A 84 -6.169 -8.906 32.625 1.00 4.30 C ATOM 1151 SG CYS A 84 -5.218 -10.385 33.046 1.00 31.01 S ATOM 0 H CYS A 84 -7.419 -9.290 34.713 1.00 11.35 H new ATOM 0 HA CYS A 84 -5.223 -7.699 34.130 1.00 12.12 H new ATOM 0 HB2 CYS A 84 -7.185 -9.202 32.365 1.00 4.30 H new ATOM 0 HB3 CYS A 84 -5.734 -8.448 31.737 1.00 4.30 H new ATOM 0 HG CYS A 84 -5.228 -11.208 32.040 1.00 31.01 H new ATOM 1157 N HIS A 85 -8.054 -6.500 32.910 1.00 61.32 N ATOM 1158 CA HIS A 85 -8.683 -5.296 32.378 1.00 65.43 C ATOM 1159 C HIS A 85 -8.684 -4.180 33.417 1.00 11.43 C ATOM 1160 O HIS A 85 -8.667 -2.997 33.072 1.00 32.43 O ATOM 1161 CB HIS A 85 -10.114 -5.597 31.933 1.00 32.10 C ATOM 1162 CG HIS A 85 -11.156 -4.930 32.777 1.00 32.22 C ATOM 1163 ND1 HIS A 85 -11.425 -5.306 34.076 1.00 15.45 N ATOM 1164 CD2 HIS A 85 -11.996 -3.905 32.501 1.00 32.35 C ATOM 1165 CE1 HIS A 85 -12.387 -4.542 34.563 1.00 53.43 C ATOM 1166 NE2 HIS A 85 -12.751 -3.683 33.627 1.00 61.20 N ATOM 0 H HIS A 85 -8.691 -7.286 33.040 1.00 61.32 H new ATOM 0 HA HIS A 85 -8.105 -4.964 31.515 1.00 65.43 H new ATOM 0 HB2 HIS A 85 -10.238 -5.279 30.898 1.00 32.10 H new ATOM 0 HB3 HIS A 85 -10.274 -6.675 31.957 1.00 32.10 H new ATOM 0 HD1 HIS A 85 -10.955 -6.057 34.582 1.00 15.45 H new ATOM 0 HD2 HIS A 85 -12.061 -3.363 31.569 1.00 32.35 H new ATOM 0 HE1 HIS A 85 -12.805 -4.608 35.557 1.00 53.43 H new ATOM 1174 N CYS A 86 -8.705 -4.562 34.689 1.00 34.11 N ATOM 1175 CA CYS A 86 -8.711 -3.593 35.779 1.00 1.31 C ATOM 1176 C CYS A 86 -7.323 -2.993 35.980 1.00 12.22 C ATOM 1177 O CYS A 86 -7.187 -1.850 36.418 1.00 32.51 O ATOM 1178 CB CYS A 86 -9.187 -4.253 37.074 1.00 51.21 C ATOM 1179 SG CYS A 86 -10.889 -3.845 37.528 1.00 1.41 S ATOM 0 H CYS A 86 -8.718 -5.536 34.991 1.00 34.11 H new ATOM 0 HA CYS A 86 -9.400 -2.790 35.515 1.00 1.31 H new ATOM 0 HB2 CYS A 86 -9.099 -5.335 36.972 1.00 51.21 H new ATOM 0 HB3 CYS A 86 -8.524 -3.955 37.886 1.00 51.21 H new ATOM 0 HG CYS A 86 -11.200 -4.452 38.635 1.00 1.41 H new ATOM 1185 N SER A 87 -6.295 -3.772 35.659 1.00 52.22 N ATOM 1186 CA SER A 87 -4.917 -3.320 35.809 1.00 11.54 C ATOM 1187 C SER A 87 -4.511 -2.419 34.647 1.00 1.51 C ATOM 1188 O SER A 87 -3.613 -1.585 34.778 1.00 75.25 O ATOM 1189 CB SER A 87 -3.971 -4.519 35.895 1.00 41.24 C ATOM 1190 OG SER A 87 -4.324 -5.371 36.970 1.00 61.50 O ATOM 0 H SER A 87 -6.391 -4.719 35.293 1.00 52.22 H new ATOM 0 HA SER A 87 -4.848 -2.745 36.733 1.00 11.54 H new ATOM 0 HB2 SER A 87 -4.001 -5.077 34.959 1.00 41.24 H new ATOM 0 HB3 SER A 87 -2.947 -4.169 36.025 1.00 41.24 H new ATOM 0 HG SER A 87 -5.184 -5.800 36.778 1.00 61.50 H new ATOM 1196 N CYS A 88 -5.178 -2.592 33.511 1.00 23.25 N ATOM 1197 CA CYS A 88 -4.887 -1.796 32.324 1.00 3.15 C ATOM 1198 C CYS A 88 -5.563 -0.431 32.406 1.00 60.30 C ATOM 1199 O CYS A 88 -4.978 0.585 32.032 1.00 32.30 O ATOM 1200 CB CYS A 88 -5.347 -2.532 31.066 1.00 61.35 C ATOM 1201 SG CYS A 88 -4.171 -3.765 30.460 1.00 42.11 S ATOM 0 H CYS A 88 -5.924 -3.276 33.387 1.00 23.25 H new ATOM 0 HA CYS A 88 -3.809 -1.645 32.273 1.00 3.15 H new ATOM 0 HB2 CYS A 88 -6.298 -3.023 31.273 1.00 61.35 H new ATOM 0 HB3 CYS A 88 -5.530 -1.802 30.278 1.00 61.35 H new ATOM 0 HG CYS A 88 -4.650 -4.335 29.394 1.00 42.11 H new ATOM 1349 N THR A 99 0.260 7.756 25.789 1.00 75.13 N ATOM 1350 CA THR A 99 -0.908 7.532 24.946 1.00 53.21 C ATOM 1351 C THR A 99 -0.498 7.181 23.520 1.00 14.03 C ATOM 1352 O THR A 99 -1.285 7.325 22.584 1.00 52.40 O ATOM 1353 CB THR A 99 -1.824 8.771 24.915 1.00 62.55 C ATOM 1354 OG1 THR A 99 -1.034 9.965 24.933 1.00 23.44 O ATOM 1355 CG2 THR A 99 -2.777 8.769 26.100 1.00 75.33 C ATOM 0 HA THR A 99 -1.455 6.695 25.380 1.00 53.21 H new ATOM 0 HB THR A 99 -2.411 8.739 23.997 1.00 62.55 H new ATOM 0 HG1 THR A 99 -0.241 9.824 25.491 1.00 23.44 H new ATOM 0 HG21 THR A 99 -3.413 9.653 26.057 1.00 75.33 H new ATOM 0 HG22 THR A 99 -3.397 7.873 26.067 1.00 75.33 H new ATOM 0 HG23 THR A 99 -2.204 8.779 27.027 1.00 75.33 H new ATOM 1363 N HIS A 100 0.738 6.718 23.362 1.00 53.53 N ATOM 1364 CA HIS A 100 1.252 6.345 22.049 1.00 54.03 C ATOM 1365 C HIS A 100 2.634 5.710 22.167 1.00 74.51 C ATOM 1366 O HIS A 100 3.147 5.517 23.268 1.00 2.11 O ATOM 1367 CB HIS A 100 1.317 7.570 21.136 1.00 20.10 C ATOM 1368 CG HIS A 100 0.619 7.378 19.825 1.00 14.11 C ATOM 1369 ND1 HIS A 100 1.199 6.740 18.749 1.00 20.45 N ATOM 1370 CD2 HIS A 100 -0.620 7.744 19.420 1.00 32.51 C ATOM 1371 CE1 HIS A 100 0.348 6.722 17.739 1.00 2.11 C ATOM 1372 NE2 HIS A 100 -0.764 7.325 18.120 1.00 23.43 N ATOM 0 H HIS A 100 1.402 6.592 24.126 1.00 53.53 H new ATOM 0 HA HIS A 100 0.571 5.613 21.614 1.00 54.03 H new ATOM 0 HB2 HIS A 100 0.874 8.422 21.653 1.00 20.10 H new ATOM 0 HB3 HIS A 100 2.362 7.818 20.949 1.00 20.10 H new ATOM 0 HD2 HIS A 100 -1.358 8.268 20.010 1.00 32.51 H new ATOM 0 HE1 HIS A 100 0.530 6.288 16.767 1.00 2.11 H new ATOM 0 HE2 HIS A 100 -1.594 7.458 17.543 1.00 23.43 H new ATOM 1380 N GLY A 101 3.230 5.385 21.024 1.00 63.12 N ATOM 1381 CA GLY A 101 4.547 4.774 21.022 1.00 74.34 C ATOM 1382 C GLY A 101 5.612 5.694 20.461 1.00 4.54 C ATOM 1383 O GLY A 101 5.602 6.016 19.274 1.00 73.43 O ATOM 0 H GLY A 101 2.825 5.534 20.100 1.00 63.12 H new ATOM 0 HA2 GLY A 101 4.815 4.492 22.040 1.00 74.34 H new ATOM 0 HA3 GLY A 101 4.518 3.857 20.434 1.00 74.34 H new ATOM 1387 N GLU A 102 6.534 6.121 21.319 1.00 1.32 N ATOM 1388 CA GLU A 102 7.610 7.013 20.902 1.00 12.14 C ATOM 1389 C GLU A 102 8.821 6.871 21.820 1.00 15.34 C ATOM 1390 O GLU A 102 8.692 6.481 22.981 1.00 14.02 O ATOM 1391 CB GLU A 102 7.126 8.465 20.898 1.00 22.35 C ATOM 1392 CG GLU A 102 8.249 9.481 21.023 1.00 21.33 C ATOM 1393 CD GLU A 102 9.062 9.611 19.750 1.00 41.11 C ATOM 1394 OE1 GLU A 102 9.399 10.754 19.377 1.00 44.34 O ATOM 1395 OE2 GLU A 102 9.361 8.571 19.127 1.00 53.12 O ATOM 0 H GLU A 102 6.557 5.864 22.306 1.00 1.32 H new ATOM 0 HA GLU A 102 7.908 6.734 19.891 1.00 12.14 H new ATOM 0 HB2 GLU A 102 6.578 8.654 19.975 1.00 22.35 H new ATOM 0 HB3 GLU A 102 6.425 8.608 21.720 1.00 22.35 H new ATOM 0 HG2 GLU A 102 7.828 10.453 21.282 1.00 21.33 H new ATOM 0 HG3 GLU A 102 8.907 9.191 21.842 1.00 21.33 H new ATOM 1402 N CYS A 103 9.997 7.190 21.292 1.00 41.53 N ATOM 1403 CA CYS A 103 11.232 7.098 22.061 1.00 0.40 C ATOM 1404 C CYS A 103 12.314 7.992 21.462 1.00 41.21 C ATOM 1405 O CYS A 103 12.835 7.717 20.380 1.00 33.02 O ATOM 1406 CB CYS A 103 11.721 5.649 22.109 1.00 12.40 C ATOM 1407 SG CYS A 103 10.477 4.427 21.582 1.00 13.35 S ATOM 0 H CYS A 103 10.121 7.515 20.333 1.00 41.53 H new ATOM 0 HA CYS A 103 11.025 7.438 23.076 1.00 0.40 H new ATOM 0 HB2 CYS A 103 12.601 5.553 21.474 1.00 12.40 H new ATOM 0 HB3 CYS A 103 12.035 5.416 23.126 1.00 12.40 H new ATOM 0 HG CYS A 103 9.828 3.993 22.621 1.00 13.35 H new ATOM 1412 N THR A 104 12.649 9.065 22.173 1.00 73.33 N ATOM 1413 CA THR A 104 13.667 10.000 21.712 1.00 63.30 C ATOM 1414 C THR A 104 14.105 10.933 22.835 1.00 64.20 C ATOM 1415 O THR A 104 14.717 11.973 22.589 1.00 21.34 O ATOM 1416 CB THR A 104 13.161 10.843 20.527 1.00 12.40 C ATOM 1417 OG1 THR A 104 11.795 10.519 20.243 1.00 1.43 O ATOM 1418 CG2 THR A 104 14.012 10.604 19.289 1.00 31.21 C ATOM 0 H THR A 104 12.229 9.307 23.071 1.00 73.33 H new ATOM 0 HA THR A 104 14.519 9.404 21.386 1.00 63.30 H new ATOM 0 HB THR A 104 13.235 11.895 20.801 1.00 12.40 H new ATOM 0 HG1 THR A 104 11.369 11.272 19.783 1.00 1.43 H new ATOM 0 HG21 THR A 104 13.635 11.210 18.466 1.00 31.21 H new ATOM 0 HG22 THR A 104 15.045 10.880 19.499 1.00 31.21 H new ATOM 0 HG23 THR A 104 13.966 9.550 19.014 1.00 31.21 H new ATOM 1426 N LYS A 105 13.789 10.555 24.069 1.00 25.10 N ATOM 1427 CA LYS A 105 14.152 11.357 25.232 1.00 61.43 C ATOM 1428 C LYS A 105 15.273 10.691 26.023 1.00 21.14 C ATOM 1429 O LYS A 105 15.725 9.598 25.681 1.00 34.34 O ATOM 1430 CB LYS A 105 12.933 11.567 26.132 1.00 33.12 C ATOM 1431 CG LYS A 105 11.955 10.405 26.113 1.00 33.10 C ATOM 1432 CD LYS A 105 11.275 10.226 27.460 1.00 22.22 C ATOM 1433 CE LYS A 105 10.775 8.802 27.647 1.00 33.41 C ATOM 1434 NZ LYS A 105 10.215 8.585 29.010 1.00 61.31 N ATOM 0 H LYS A 105 13.282 9.698 24.290 1.00 25.10 H new ATOM 0 HA LYS A 105 14.506 12.325 24.879 1.00 61.43 H new ATOM 0 HB2 LYS A 105 13.271 11.729 27.155 1.00 33.12 H new ATOM 0 HB3 LYS A 105 12.414 12.473 25.820 1.00 33.12 H new ATOM 0 HG2 LYS A 105 11.202 10.575 25.344 1.00 33.10 H new ATOM 0 HG3 LYS A 105 12.482 9.489 25.846 1.00 33.10 H new ATOM 0 HD2 LYS A 105 11.975 10.475 28.258 1.00 22.22 H new ATOM 0 HD3 LYS A 105 10.439 10.920 27.542 1.00 22.22 H new ATOM 0 HE2 LYS A 105 10.010 8.585 26.901 1.00 33.41 H new ATOM 0 HE3 LYS A 105 11.594 8.104 27.476 1.00 33.41 H new ATOM 0 HZ1 LYS A 105 10.648 7.739 29.433 1.00 61.31 H new ATOM 0 HZ2 LYS A 105 10.420 9.413 29.605 1.00 61.31 H new ATOM 0 HZ3 LYS A 105 9.186 8.451 28.945 1.00 61.31 H new ATOM 1448 N LYS A 106 15.718 11.356 27.084 1.00 13.12 N ATOM 1449 CA LYS A 106 16.784 10.828 27.927 1.00 0.51 C ATOM 1450 C LYS A 106 16.374 9.500 28.555 1.00 64.01 C ATOM 1451 O LYS A 106 17.153 8.878 29.277 1.00 70.34 O ATOM 1452 CB LYS A 106 17.140 11.835 29.024 1.00 64.42 C ATOM 1453 CG LYS A 106 17.860 13.068 28.507 1.00 52.40 C ATOM 1454 CD LYS A 106 17.183 14.346 28.976 1.00 63.34 C ATOM 1455 CE LYS A 106 16.154 14.834 27.967 1.00 23.43 C ATOM 1456 NZ LYS A 106 15.776 16.254 28.204 1.00 43.41 N ATOM 0 H LYS A 106 15.356 12.262 27.381 1.00 13.12 H new ATOM 0 HA LYS A 106 17.659 10.658 27.300 1.00 0.51 H new ATOM 0 HB2 LYS A 106 16.227 12.144 29.532 1.00 64.42 H new ATOM 0 HB3 LYS A 106 17.767 11.343 29.767 1.00 64.42 H new ATOM 0 HG2 LYS A 106 18.895 13.057 28.849 1.00 52.40 H new ATOM 0 HG3 LYS A 106 17.884 13.046 27.417 1.00 52.40 H new ATOM 0 HD2 LYS A 106 16.698 14.171 29.936 1.00 63.34 H new ATOM 0 HD3 LYS A 106 17.934 15.120 29.135 1.00 63.34 H new ATOM 0 HE2 LYS A 106 16.555 14.728 26.959 1.00 23.43 H new ATOM 0 HE3 LYS A 106 15.264 14.207 28.023 1.00 23.43 H new ATOM 0 HZ1 LYS A 106 15.073 16.549 27.496 1.00 43.41 H new ATOM 0 HZ2 LYS A 106 15.370 16.351 29.156 1.00 43.41 H new ATOM 0 HZ3 LYS A 106 16.620 16.856 28.125 1.00 43.41 H new ATOM 1470 N ALA A 107 15.148 9.071 28.274 1.00 64.12 N ATOM 1471 CA ALA A 107 14.637 7.815 28.808 1.00 25.21 C ATOM 1472 C ALA A 107 14.470 6.776 27.704 1.00 2.21 C ATOM 1473 O ALA A 107 14.682 7.051 26.523 1.00 62.01 O ATOM 1474 CB ALA A 107 13.315 8.045 29.524 1.00 74.12 C ATOM 0 H ALA A 107 14.490 9.575 27.679 1.00 64.12 H new ATOM 0 HA ALA A 107 15.363 7.431 29.524 1.00 25.21 H new ATOM 0 HB1 ALA A 107 12.945 7.098 29.918 1.00 74.12 H new ATOM 0 HB2 ALA A 107 13.463 8.746 30.345 1.00 74.12 H new ATOM 0 HB3 ALA A 107 12.588 8.455 28.823 1.00 74.12 H new ATOM 1480 N PRO A 108 14.081 5.553 28.095 1.00 45.41 N ATOM 1481 CA PRO A 108 13.877 4.449 27.153 1.00 65.11 C ATOM 1482 C PRO A 108 12.655 4.661 26.267 1.00 50.24 C ATOM 1483 O PRO A 108 12.067 5.743 26.251 1.00 10.11 O ATOM 1484 CB PRO A 108 13.672 3.237 28.066 1.00 41.42 C ATOM 1485 CG PRO A 108 13.158 3.808 29.342 1.00 21.14 C ATOM 1486 CD PRO A 108 13.811 5.155 29.486 1.00 33.05 C ATOM 0 HA PRO A 108 14.713 4.343 26.462 1.00 65.11 H new ATOM 0 HB2 PRO A 108 12.963 2.531 27.634 1.00 41.42 H new ATOM 0 HB3 PRO A 108 14.605 2.696 28.222 1.00 41.42 H new ATOM 0 HG2 PRO A 108 12.072 3.901 29.318 1.00 21.14 H new ATOM 0 HG3 PRO A 108 13.404 3.163 30.185 1.00 21.14 H new ATOM 0 HD2 PRO A 108 13.156 5.867 29.988 1.00 33.05 H new ATOM 0 HD3 PRO A 108 14.728 5.097 30.073 1.00 33.05 H new ATOM 1494 N CYS A 109 12.277 3.622 25.530 1.00 54.34 N ATOM 1495 CA CYS A 109 11.124 3.694 24.640 1.00 13.41 C ATOM 1496 C CYS A 109 9.881 3.117 25.312 1.00 23.20 C ATOM 1497 O CYS A 109 9.963 2.140 26.057 1.00 65.04 O ATOM 1498 CB CYS A 109 11.409 2.942 23.339 1.00 44.42 C ATOM 1499 SG CYS A 109 10.340 3.431 21.947 1.00 11.04 S ATOM 0 H CYS A 109 12.753 2.720 25.531 1.00 54.34 H new ATOM 0 HA CYS A 109 10.938 4.744 24.412 1.00 13.41 H new ATOM 0 HB2 CYS A 109 12.450 3.105 23.058 1.00 44.42 H new ATOM 0 HB3 CYS A 109 11.290 1.873 23.516 1.00 44.42 H new ATOM 0 HG CYS A 109 10.010 4.682 22.072 1.00 11.04 H new ATOM 1504 N TRP A 110 8.733 3.727 25.043 1.00 11.24 N ATOM 1505 CA TRP A 110 7.473 3.274 25.622 1.00 60.44 C ATOM 1506 C TRP A 110 6.379 3.211 24.562 1.00 70.34 C ATOM 1507 O TRP A 110 6.441 3.910 23.550 1.00 10.13 O ATOM 1508 CB TRP A 110 7.046 4.203 26.758 1.00 11.45 C ATOM 1509 CG TRP A 110 6.197 5.350 26.301 1.00 53.45 C ATOM 1510 CD1 TRP A 110 5.019 5.275 25.614 1.00 72.13 C ATOM 1511 CD2 TRP A 110 6.461 6.744 26.495 1.00 24.12 C ATOM 1512 NE1 TRP A 110 4.535 6.538 25.370 1.00 62.24 N ATOM 1513 CE2 TRP A 110 5.401 7.456 25.901 1.00 44.31 C ATOM 1514 CE3 TRP A 110 7.489 7.459 27.115 1.00 3.23 C ATOM 1515 CZ2 TRP A 110 5.343 8.847 25.909 1.00 40.31 C ATOM 1516 CZ3 TRP A 110 7.430 8.840 27.122 1.00 61.20 C ATOM 1517 CH2 TRP A 110 6.363 9.522 26.523 1.00 51.11 C ATOM 0 H TRP A 110 8.648 4.536 24.428 1.00 11.24 H new ATOM 0 HA TRP A 110 7.625 2.271 26.021 1.00 60.44 H new ATOM 0 HB2 TRP A 110 6.495 3.627 27.501 1.00 11.45 H new ATOM 0 HB3 TRP A 110 7.936 4.593 27.252 1.00 11.45 H new ATOM 0 HD1 TRP A 110 4.538 4.358 25.307 1.00 72.13 H new ATOM 0 HE1 TRP A 110 3.671 6.756 24.874 1.00 62.24 H new ATOM 0 HE3 TRP A 110 8.315 6.942 27.580 1.00 3.23 H new ATOM 0 HZ2 TRP A 110 4.522 9.375 25.447 1.00 40.31 H new ATOM 0 HZ3 TRP A 110 8.220 9.403 27.597 1.00 61.20 H new ATOM 0 HH2 TRP A 110 6.345 10.602 26.546 1.00 51.11 H new ATOM 1528 N ARG A 111 5.378 2.369 24.799 1.00 2.14 N ATOM 1529 CA ARG A 111 4.271 2.215 23.864 1.00 51.03 C ATOM 1530 C ARG A 111 2.933 2.233 24.597 1.00 31.10 C ATOM 1531 O ARG A 111 2.828 1.758 25.728 1.00 35.24 O ATOM 1532 CB ARG A 111 4.417 0.910 23.078 1.00 13.33 C ATOM 1533 CG ARG A 111 4.453 -0.329 23.957 1.00 33.04 C ATOM 1534 CD ARG A 111 5.860 -0.618 24.456 1.00 40.21 C ATOM 1535 NE ARG A 111 6.019 -2.009 24.871 1.00 60.03 N ATOM 1536 CZ ARG A 111 5.473 -2.515 25.971 1.00 50.20 C ATOM 1537 NH1 ARG A 111 4.736 -1.748 26.762 1.00 11.42 N ATOM 1538 NH2 ARG A 111 5.663 -3.791 26.281 1.00 3.24 N ATOM 0 H ARG A 111 5.311 1.783 25.631 1.00 2.14 H new ATOM 0 HA ARG A 111 4.296 3.055 23.169 1.00 51.03 H new ATOM 0 HB2 ARG A 111 3.587 0.823 22.376 1.00 13.33 H new ATOM 0 HB3 ARG A 111 5.332 0.952 22.486 1.00 13.33 H new ATOM 0 HG2 ARG A 111 3.785 -0.192 24.808 1.00 33.04 H new ATOM 0 HG3 ARG A 111 4.082 -1.186 23.395 1.00 33.04 H new ATOM 0 HD2 ARG A 111 6.578 -0.391 23.668 1.00 40.21 H new ATOM 0 HD3 ARG A 111 6.089 0.039 25.295 1.00 40.21 H new ATOM 0 HE ARG A 111 6.580 -2.626 24.284 1.00 60.03 H new ATOM 0 HH11 ARG A 111 4.587 -0.767 26.526 1.00 11.42 H new ATOM 0 HH12 ARG A 111 4.318 -2.139 27.606 1.00 11.42 H new ATOM 0 HH21 ARG A 111 6.229 -4.384 25.674 1.00 3.24 H new ATOM 0 HH22 ARG A 111 5.243 -4.179 27.126 1.00 3.24 H new ATOM 1552 N CYS A 112 1.915 2.784 23.946 1.00 73.22 N ATOM 1553 CA CYS A 112 0.583 2.865 24.536 1.00 24.03 C ATOM 1554 C CYS A 112 -0.100 1.501 24.526 1.00 2.43 C ATOM 1555 O CYS A 112 -0.100 0.805 23.512 1.00 33.31 O ATOM 1556 CB CYS A 112 -0.271 3.883 23.780 1.00 35.10 C ATOM 1557 SG CYS A 112 -1.996 3.383 23.564 1.00 43.30 S ATOM 0 H CYS A 112 1.986 3.181 23.009 1.00 73.22 H new ATOM 0 HA CYS A 112 0.690 3.189 25.571 1.00 24.03 H new ATOM 0 HB2 CYS A 112 -0.243 4.833 24.314 1.00 35.10 H new ATOM 0 HB3 CYS A 112 0.172 4.056 22.799 1.00 35.10 H new ATOM 0 HG CYS A 112 -2.315 2.517 24.480 1.00 43.30 H new ATOM 1563 N GLU A 113 -0.679 1.127 25.663 1.00 50.11 N ATOM 1564 CA GLU A 113 -1.363 -0.155 25.785 1.00 54.24 C ATOM 1565 C GLU A 113 -2.785 -0.067 25.237 1.00 41.22 C ATOM 1566 O GLU A 113 -3.340 1.023 25.094 1.00 74.31 O ATOM 1567 CB GLU A 113 -1.396 -0.604 27.247 1.00 44.00 C ATOM 1568 CG GLU A 113 -2.260 0.275 28.135 1.00 53.01 C ATOM 1569 CD GLU A 113 -3.492 -0.446 28.647 1.00 0.23 C ATOM 1570 OE1 GLU A 113 -3.950 -1.390 27.971 1.00 74.24 O ATOM 1571 OE2 GLU A 113 -3.997 -0.066 29.724 1.00 34.00 O ATOM 0 H GLU A 113 -0.688 1.693 26.512 1.00 50.11 H new ATOM 0 HA GLU A 113 -0.810 -0.890 25.199 1.00 54.24 H new ATOM 0 HB2 GLU A 113 -1.765 -1.629 27.295 1.00 44.00 H new ATOM 0 HB3 GLU A 113 -0.379 -0.613 27.638 1.00 44.00 H new ATOM 0 HG2 GLU A 113 -1.668 0.622 28.982 1.00 53.01 H new ATOM 0 HG3 GLU A 113 -2.567 1.159 27.576 1.00 53.01 H new ATOM 1721 N CYS A 123 -2.290 3.558 18.167 1.00 73.42 N ATOM 1722 CA CYS A 123 -1.277 4.027 19.105 1.00 13.53 C ATOM 1723 C CYS A 123 -0.171 2.992 19.275 1.00 62.43 C ATOM 1724 O CYS A 123 -0.113 2.004 18.543 1.00 14.21 O ATOM 1725 CB CYS A 123 -1.913 4.338 20.461 1.00 54.41 C ATOM 1726 SG CYS A 123 -3.232 5.574 20.392 1.00 60.33 S ATOM 0 HA CYS A 123 -0.837 4.938 18.700 1.00 13.53 H new ATOM 0 HB2 CYS A 123 -2.315 3.416 20.882 1.00 54.41 H new ATOM 0 HB3 CYS A 123 -1.137 4.688 21.142 1.00 54.41 H new ATOM 0 HG CYS A 123 -2.928 6.576 21.162 1.00 60.33 H new ATOM 1732 N GLY A 124 0.708 3.225 20.245 1.00 44.34 N ATOM 1733 CA GLY A 124 1.803 2.305 20.491 1.00 32.23 C ATOM 1734 C GLY A 124 2.482 1.855 19.213 1.00 75.02 C ATOM 1735 O GLY A 124 2.876 2.680 18.388 1.00 50.20 O ATOM 0 H GLY A 124 0.681 4.035 20.865 1.00 44.34 H new ATOM 0 HA2 GLY A 124 2.537 2.784 21.139 1.00 32.23 H new ATOM 0 HA3 GLY A 124 1.427 1.433 21.025 1.00 32.23 H new ATOM 1739 N CYS A 125 2.620 0.544 19.048 1.00 53.20 N ATOM 1740 CA CYS A 125 3.258 -0.014 17.861 1.00 22.13 C ATOM 1741 C CYS A 125 2.235 -0.256 16.756 1.00 21.44 C ATOM 1742 O CYS A 125 2.559 -0.817 15.710 1.00 41.31 O ATOM 1743 CB CYS A 125 3.972 -1.322 18.208 1.00 13.40 C ATOM 1744 SG CYS A 125 4.981 -1.237 19.706 1.00 43.03 S ATOM 0 H CYS A 125 2.299 -0.152 19.721 1.00 53.20 H new ATOM 0 HA CYS A 125 3.991 0.707 17.500 1.00 22.13 H new ATOM 0 HB2 CYS A 125 3.228 -2.109 18.328 1.00 13.40 H new ATOM 0 HB3 CYS A 125 4.608 -1.610 17.371 1.00 13.40 H new ATOM 0 HG CYS A 125 5.542 -2.390 19.917 1.00 43.03 H new ATOM 1750 N GLU A 126 0.999 0.168 16.998 1.00 13.33 N ATOM 1751 CA GLU A 126 -0.072 -0.005 16.024 1.00 32.40 C ATOM 1752 C GLU A 126 0.042 1.021 14.901 1.00 1.50 C ATOM 1753 O GLU A 126 -0.963 1.449 14.332 1.00 60.34 O ATOM 1754 CB GLU A 126 -1.437 0.118 16.705 1.00 24.55 C ATOM 1755 CG GLU A 126 -2.379 -1.032 16.392 1.00 74.11 C ATOM 1756 CD GLU A 126 -3.293 -0.734 15.219 1.00 12.11 C ATOM 1757 OE1 GLU A 126 -4.526 -0.854 15.383 1.00 44.23 O ATOM 1758 OE2 GLU A 126 -2.777 -0.381 14.138 1.00 23.25 O ATOM 0 H GLU A 126 0.715 0.634 17.860 1.00 13.33 H new ATOM 0 HA GLU A 126 0.022 -1.002 15.593 1.00 32.40 H new ATOM 0 HB2 GLU A 126 -1.292 0.174 17.784 1.00 24.55 H new ATOM 0 HB3 GLU A 126 -1.904 1.053 16.397 1.00 24.55 H new ATOM 0 HG2 GLU A 126 -1.795 -1.926 16.175 1.00 74.11 H new ATOM 0 HG3 GLU A 126 -2.983 -1.252 17.272 1.00 74.11 H new ATOM 1765 N CYS A 127 1.272 1.413 14.589 1.00 43.22 N ATOM 1766 CA CYS A 127 1.519 2.391 13.535 1.00 0.10 C ATOM 1767 C CYS A 127 1.926 1.701 12.237 1.00 34.11 C ATOM 1768 O CYS A 127 2.889 0.935 12.205 1.00 51.22 O ATOM 1769 CB CYS A 127 2.608 3.374 13.967 1.00 24.33 C ATOM 1770 SG CYS A 127 2.041 4.644 15.122 1.00 31.34 S ATOM 0 H CYS A 127 2.114 1.069 15.051 1.00 43.22 H new ATOM 0 HA CYS A 127 0.594 2.940 13.359 1.00 0.10 H new ATOM 0 HB2 CYS A 127 3.423 2.817 14.428 1.00 24.33 H new ATOM 0 HB3 CYS A 127 3.016 3.860 13.081 1.00 24.33 H new ATOM 0 HG CYS A 127 2.554 5.792 14.791 1.00 31.34 H new ATOM 1776 N SER A 128 1.184 1.976 11.169 1.00 12.11 N ATOM 1777 CA SER A 128 1.464 1.377 9.869 1.00 15.42 C ATOM 1778 C SER A 128 2.824 1.828 9.345 1.00 33.10 C ATOM 1779 O SER A 128 3.623 2.411 10.078 1.00 51.22 O ATOM 1780 CB SER A 128 0.369 1.749 8.867 1.00 43.33 C ATOM 1781 OG SER A 128 0.130 0.690 7.957 1.00 72.42 O ATOM 0 H SER A 128 0.385 2.610 11.178 1.00 12.11 H new ATOM 0 HA SER A 128 1.482 0.294 9.991 1.00 15.42 H new ATOM 0 HB2 SER A 128 -0.551 1.989 9.401 1.00 43.33 H new ATOM 0 HB3 SER A 128 0.662 2.645 8.319 1.00 43.33 H new ATOM 0 HG SER A 128 -0.575 0.952 7.328 1.00 72.42 H new ATOM 1787 N LYS A 129 3.080 1.553 8.071 1.00 61.23 N ATOM 1788 CA LYS A 129 4.342 1.930 7.445 1.00 21.41 C ATOM 1789 C LYS A 129 4.500 3.446 7.410 1.00 44.35 C ATOM 1790 O LYS A 129 5.404 3.971 6.757 1.00 11.34 O ATOM 1791 CB LYS A 129 4.420 1.365 6.025 1.00 73.41 C ATOM 1792 CG LYS A 129 3.683 2.204 4.995 1.00 3.03 C ATOM 1793 CD LYS A 129 2.198 2.287 5.303 1.00 74.11 C ATOM 1794 CE LYS A 129 1.439 3.008 4.199 1.00 3.53 C ATOM 1795 NZ LYS A 129 0.067 2.460 4.019 1.00 33.22 N ATOM 0 H LYS A 129 2.430 1.070 7.451 1.00 61.23 H new ATOM 0 HA LYS A 129 5.153 1.511 8.040 1.00 21.41 H new ATOM 0 HB2 LYS A 129 5.467 1.283 5.733 1.00 73.41 H new ATOM 0 HB3 LYS A 129 4.008 0.356 6.021 1.00 73.41 H new ATOM 0 HG2 LYS A 129 4.107 3.208 4.971 1.00 3.03 H new ATOM 0 HG3 LYS A 129 3.826 1.774 4.004 1.00 3.03 H new ATOM 0 HD2 LYS A 129 1.794 1.282 5.427 1.00 74.11 H new ATOM 0 HD3 LYS A 129 2.050 2.809 6.248 1.00 74.11 H new ATOM 0 HE2 LYS A 129 1.377 4.070 4.435 1.00 3.53 H new ATOM 0 HE3 LYS A 129 1.990 2.921 3.263 1.00 3.53 H new ATOM 0 HZ1 LYS A 129 -0.270 2.675 3.059 1.00 33.22 H new ATOM 0 HZ2 LYS A 129 0.084 1.429 4.157 1.00 33.22 H new ATOM 0 HZ3 LYS A 129 -0.573 2.892 4.715 1.00 33.22 H new ATOM 1809 N LEU A 130 3.618 4.145 8.115 1.00 40.11 N ATOM 1810 CA LEU A 130 3.661 5.602 8.165 1.00 12.54 C ATOM 1811 C LEU A 130 4.953 6.087 8.815 1.00 12.14 C ATOM 1812 O LEU A 130 5.670 5.329 9.469 1.00 40.31 O ATOM 1813 CB LEU A 130 2.455 6.141 8.937 1.00 11.30 C ATOM 1814 CG LEU A 130 1.296 6.668 8.089 1.00 4.13 C ATOM 1815 CD1 LEU A 130 0.802 5.593 7.134 1.00 32.13 C ATOM 1816 CD2 LEU A 130 0.163 7.156 8.980 1.00 72.24 C ATOM 0 H LEU A 130 2.864 3.726 8.660 1.00 40.11 H new ATOM 0 HA LEU A 130 3.628 5.977 7.142 1.00 12.54 H new ATOM 0 HB2 LEU A 130 2.076 5.347 9.580 1.00 11.30 H new ATOM 0 HB3 LEU A 130 2.796 6.945 9.590 1.00 11.30 H new ATOM 0 HG LEU A 130 1.656 7.511 7.499 1.00 4.13 H new ATOM 0 HD11 LEU A 130 -0.022 5.986 6.539 1.00 32.13 H new ATOM 0 HD12 LEU A 130 1.615 5.292 6.473 1.00 32.13 H new ATOM 0 HD13 LEU A 130 0.459 4.730 7.704 1.00 32.13 H new ATOM 0 HD21 LEU A 130 -0.653 7.527 8.360 1.00 72.24 H new ATOM 0 HD22 LEU A 130 -0.196 6.332 9.597 1.00 72.24 H new ATOM 0 HD23 LEU A 130 0.525 7.959 9.622 1.00 72.24 H new ATOM 1828 N PRO A 131 5.257 7.381 8.635 1.00 61.10 N ATOM 1829 CA PRO A 131 6.462 7.997 9.198 1.00 22.34 C ATOM 1830 C PRO A 131 6.393 8.123 10.716 1.00 11.54 C ATOM 1831 O PRO A 131 6.529 9.217 11.265 1.00 12.42 O ATOM 1832 CB PRO A 131 6.491 9.382 8.547 1.00 73.51 C ATOM 1833 CG PRO A 131 5.069 9.669 8.206 1.00 3.23 C ATOM 1834 CD PRO A 131 4.448 8.342 7.868 1.00 51.55 C ATOM 0 HA PRO A 131 7.353 7.401 9.002 1.00 22.34 H new ATOM 0 HB2 PRO A 131 6.894 10.131 9.228 1.00 73.51 H new ATOM 0 HB3 PRO A 131 7.121 9.388 7.657 1.00 73.51 H new ATOM 0 HG2 PRO A 131 4.554 10.139 9.044 1.00 3.23 H new ATOM 0 HG3 PRO A 131 5.001 10.357 7.364 1.00 3.23 H new ATOM 0 HD2 PRO A 131 3.398 8.304 8.158 1.00 51.55 H new ATOM 0 HD3 PRO A 131 4.491 8.139 6.798 1.00 51.55 H new ATOM 1842 N CYS A 132 6.181 6.998 11.390 1.00 0.15 N ATOM 1843 CA CYS A 132 6.094 6.983 12.846 1.00 74.44 C ATOM 1844 C CYS A 132 6.894 5.820 13.426 1.00 13.23 C ATOM 1845 O CYS A 132 8.058 5.622 13.082 1.00 31.41 O ATOM 1846 CB CYS A 132 4.633 6.882 13.289 1.00 54.14 C ATOM 1847 SG CYS A 132 3.679 8.418 13.061 1.00 24.24 S ATOM 0 H CYS A 132 6.066 6.084 10.951 1.00 0.15 H new ATOM 0 HA CYS A 132 6.517 7.915 13.221 1.00 74.44 H new ATOM 0 HB2 CYS A 132 4.150 6.080 12.730 1.00 54.14 H new ATOM 0 HB3 CYS A 132 4.602 6.601 14.342 1.00 54.14 H new ATOM 1852 N ASN A 133 6.260 5.055 14.309 1.00 53.10 N ATOM 1853 CA ASN A 133 6.912 3.912 14.938 1.00 10.50 C ATOM 1854 C ASN A 133 8.236 3.595 14.250 1.00 43.40 C ATOM 1855 O ASN A 133 8.261 3.005 13.170 1.00 32.31 O ATOM 1856 CB ASN A 133 5.996 2.688 14.894 1.00 33.13 C ATOM 1857 CG ASN A 133 5.626 2.293 13.478 1.00 72.14 C ATOM 1858 OD1 ASN A 133 5.173 3.122 12.688 1.00 5.22 O ATOM 1859 ND2 ASN A 133 5.817 1.020 13.149 1.00 12.44 N ATOM 0 H ASN A 133 5.296 5.206 14.605 1.00 53.10 H new ATOM 0 HA ASN A 133 7.115 4.168 15.978 1.00 10.50 H new ATOM 0 HB2 ASN A 133 6.491 1.850 15.385 1.00 33.13 H new ATOM 0 HB3 ASN A 133 5.088 2.897 15.459 1.00 33.13 H new ATOM 0 HD21 ASN A 133 5.586 0.696 12.210 1.00 12.44 H new ATOM 0 HD22 ASN A 133 6.195 0.367 13.835 1.00 12.44 H new ATOM 2085 N ASP A 149 7.288 5.858 17.068 1.00 13.51 N ATOM 2086 CA ASP A 149 7.574 7.245 16.720 1.00 2.54 C ATOM 2087 C ASP A 149 6.287 8.007 16.419 1.00 63.04 C ATOM 2088 O ASP A 149 5.961 8.260 15.259 1.00 54.24 O ATOM 2089 CB ASP A 149 8.513 7.308 15.515 1.00 62.13 C ATOM 2090 CG ASP A 149 9.867 7.893 15.865 1.00 41.20 C ATOM 2091 OD1 ASP A 149 10.136 9.047 15.469 1.00 74.00 O ATOM 2092 OD2 ASP A 149 10.658 7.198 16.536 1.00 70.22 O ATOM 0 HA ASP A 149 8.061 7.715 17.575 1.00 2.54 H new ATOM 0 HB2 ASP A 149 8.648 6.305 15.110 1.00 62.13 H new ATOM 0 HB3 ASP A 149 8.053 7.909 14.731 1.00 62.13 H new ATOM 2097 N CYS A 150 5.559 8.369 17.470 1.00 65.22 N ATOM 2098 CA CYS A 150 4.307 9.100 17.319 1.00 63.24 C ATOM 2099 C CYS A 150 3.925 9.800 18.620 1.00 65.23 C ATOM 2100 O CYS A 150 4.495 9.525 19.676 1.00 4.50 O ATOM 2101 CB CYS A 150 3.187 8.150 16.889 1.00 12.55 C ATOM 2102 SG CYS A 150 2.866 8.142 15.096 1.00 32.53 S ATOM 0 H CYS A 150 5.815 8.168 18.437 1.00 65.22 H new ATOM 0 HA CYS A 150 4.448 9.858 16.548 1.00 63.24 H new ATOM 0 HB2 CYS A 150 3.441 7.139 17.206 1.00 12.55 H new ATOM 0 HB3 CYS A 150 2.270 8.427 17.410 1.00 12.55 H new ATOM 2107 N LYS A 151 2.957 10.705 18.536 1.00 52.44 N ATOM 2108 CA LYS A 151 2.496 11.445 19.705 1.00 62.41 C ATOM 2109 C LYS A 151 3.617 12.304 20.281 1.00 14.23 C ATOM 2110 O LYS A 151 3.746 13.482 19.946 1.00 55.14 O ATOM 2111 CB LYS A 151 1.979 10.479 20.773 1.00 30.43 C ATOM 2112 CG LYS A 151 1.408 11.174 21.997 1.00 52.11 C ATOM 2113 CD LYS A 151 1.439 10.270 23.218 1.00 44.13 C ATOM 2114 CE LYS A 151 2.866 9.957 23.643 1.00 71.04 C ATOM 2115 NZ LYS A 151 3.248 8.556 23.312 1.00 3.22 N ATOM 0 H LYS A 151 2.475 10.944 17.669 1.00 52.44 H new ATOM 0 HA LYS A 151 1.683 12.101 19.393 1.00 62.41 H new ATOM 0 HB2 LYS A 151 1.210 9.844 20.334 1.00 30.43 H new ATOM 0 HB3 LYS A 151 2.793 9.825 21.084 1.00 30.43 H new ATOM 0 HG2 LYS A 151 1.978 12.081 22.200 1.00 52.11 H new ATOM 0 HG3 LYS A 151 0.381 11.481 21.796 1.00 52.11 H new ATOM 0 HD2 LYS A 151 0.910 10.750 24.041 1.00 44.13 H new ATOM 0 HD3 LYS A 151 0.912 9.342 22.998 1.00 44.13 H new ATOM 0 HE2 LYS A 151 3.551 10.647 23.150 1.00 71.04 H new ATOM 0 HE3 LYS A 151 2.969 10.118 24.716 1.00 71.04 H new ATOM 0 HZ1 LYS A 151 4.051 8.266 23.906 1.00 3.22 H new ATOM 0 HZ2 LYS A 151 2.440 7.925 23.489 1.00 3.22 H new ATOM 0 HZ3 LYS A 151 3.520 8.498 22.310 1.00 3.22 H new ATOM 2129 N THR A 152 4.427 11.708 21.150 1.00 20.32 N ATOM 2130 CA THR A 152 5.537 12.418 21.773 1.00 53.53 C ATOM 2131 C THR A 152 6.676 12.634 20.783 1.00 52.20 C ATOM 2132 O THR A 152 7.841 12.723 21.173 1.00 75.33 O ATOM 2133 CB THR A 152 6.074 11.657 22.999 1.00 64.01 C ATOM 2134 OG1 THR A 152 6.070 10.248 22.742 1.00 53.34 O ATOM 2135 CG2 THR A 152 5.235 11.955 24.232 1.00 40.20 C ATOM 0 H THR A 152 4.335 10.734 21.439 1.00 20.32 H new ATOM 0 HA THR A 152 5.152 13.385 22.096 1.00 53.53 H new ATOM 0 HB THR A 152 7.095 11.989 23.186 1.00 64.01 H new ATOM 0 HG1 THR A 152 5.876 9.765 23.572 1.00 53.34 H new ATOM 0 HG21 THR A 152 5.634 11.406 25.085 1.00 40.20 H new ATOM 0 HG22 THR A 152 5.265 13.024 24.443 1.00 40.20 H new ATOM 0 HG23 THR A 152 4.204 11.649 24.053 1.00 40.20 H new ATOM 2143 N ILE A 153 6.333 12.719 19.502 1.00 35.32 N ATOM 2144 CA ILE A 153 7.327 12.926 18.457 1.00 4.22 C ATOM 2145 C ILE A 153 8.338 13.994 18.864 1.00 35.40 C ATOM 2146 O ILE A 153 8.056 14.840 19.713 1.00 53.54 O ATOM 2147 CB ILE A 153 6.669 13.338 17.127 1.00 3.52 C ATOM 2148 CG1 ILE A 153 7.698 13.312 15.995 1.00 54.15 C ATOM 2149 CG2 ILE A 153 6.045 14.720 17.251 1.00 0.32 C ATOM 2150 CD1 ILE A 153 8.392 11.977 15.840 1.00 3.31 C ATOM 0 H ILE A 153 5.374 12.648 19.163 1.00 35.32 H new ATOM 0 HA ILE A 153 7.842 11.975 18.318 1.00 4.22 H new ATOM 0 HB ILE A 153 5.880 12.624 16.892 1.00 3.52 H new ATOM 0 HG12 ILE A 153 7.202 13.565 15.058 1.00 54.15 H new ATOM 0 HG13 ILE A 153 8.447 14.083 16.178 1.00 54.15 H new ATOM 0 HG21 ILE A 153 5.584 14.997 16.303 1.00 0.32 H new ATOM 0 HG22 ILE A 153 5.286 14.708 18.034 1.00 0.32 H new ATOM 0 HG23 ILE A 153 6.817 15.446 17.505 1.00 0.32 H new ATOM 0 HD11 ILE A 153 9.107 12.032 15.019 1.00 3.31 H new ATOM 0 HD12 ILE A 153 8.917 11.730 16.763 1.00 3.31 H new ATOM 0 HD13 ILE A 153 7.653 11.205 15.626 1.00 3.31 H new ATOM 2268 N TYR A 162 10.170 15.652 22.825 1.00 41.13 N ATOM 2269 CA TYR A 162 8.798 15.161 22.880 1.00 64.23 C ATOM 2270 C TYR A 162 7.812 16.315 23.026 1.00 53.21 C ATOM 2271 O TYR A 162 7.916 17.123 23.949 1.00 13.42 O ATOM 2272 CB TYR A 162 8.631 14.182 24.043 1.00 3.02 C ATOM 2273 CG TYR A 162 8.744 14.833 25.403 1.00 13.22 C ATOM 2274 CD1 TYR A 162 9.985 15.119 25.958 1.00 64.41 C ATOM 2275 CD2 TYR A 162 7.609 15.162 26.134 1.00 53.21 C ATOM 2276 CE1 TYR A 162 10.093 15.713 27.200 1.00 21.24 C ATOM 2277 CE2 TYR A 162 7.707 15.758 27.376 1.00 31.03 C ATOM 2278 CZ TYR A 162 8.951 16.031 27.905 1.00 1.04 C ATOM 2279 OH TYR A 162 9.053 16.623 29.143 1.00 1.14 O ATOM 0 HA TYR A 162 8.587 14.643 21.945 1.00 64.23 H new ATOM 0 HB2 TYR A 162 7.659 13.696 23.962 1.00 3.02 H new ATOM 0 HB3 TYR A 162 9.386 13.400 23.960 1.00 3.02 H new ATOM 0 HD1 TYR A 162 10.881 14.872 25.408 1.00 64.41 H new ATOM 0 HD2 TYR A 162 6.633 14.948 25.724 1.00 53.21 H new ATOM 0 HE1 TYR A 162 11.066 15.927 27.617 1.00 21.24 H new ATOM 0 HE2 TYR A 162 6.814 16.009 27.930 1.00 31.03 H new ATOM 0 HH TYR A 162 8.156 16.782 29.504 1.00 1.14 H new ATOM 2289 N HIS A 163 6.853 16.386 22.108 1.00 60.53 N ATOM 2290 CA HIS A 163 5.845 17.440 22.134 1.00 64.24 C ATOM 2291 C HIS A 163 5.129 17.473 23.480 1.00 13.31 C ATOM 2292 O HIS A 163 5.397 18.336 24.316 1.00 41.42 O ATOM 2293 CB HIS A 163 4.831 17.233 21.008 1.00 4.11 C ATOM 2294 CG HIS A 163 5.038 18.148 19.840 1.00 23.41 C ATOM 2295 ND1 HIS A 163 6.287 18.498 19.371 1.00 55.42 N ATOM 2296 CD2 HIS A 163 4.147 18.783 19.045 1.00 55.25 C ATOM 2297 CE1 HIS A 163 6.154 19.311 18.338 1.00 13.51 C ATOM 2298 NE2 HIS A 163 4.865 19.500 18.119 1.00 32.13 N ATOM 0 H HIS A 163 6.753 15.726 21.337 1.00 60.53 H new ATOM 0 HA HIS A 163 6.349 18.395 21.987 1.00 64.24 H new ATOM 0 HB2 HIS A 163 4.888 16.200 20.664 1.00 4.11 H new ATOM 0 HB3 HIS A 163 3.826 17.383 21.403 1.00 4.11 H new ATOM 0 HD2 HIS A 163 3.071 18.735 19.124 1.00 55.25 H new ATOM 0 HE1 HIS A 163 6.962 19.747 17.769 1.00 13.51 H new ATOM 0 HE2 HIS A 163 4.468 20.083 17.382 1.00 32.13 H new ATOM 2306 N SER A 164 4.216 16.529 23.683 1.00 73.21 N ATOM 2307 CA SER A 164 3.457 16.453 24.926 1.00 41.21 C ATOM 2308 C SER A 164 2.815 15.079 25.088 1.00 64.41 C ATOM 2309 O SER A 164 3.222 14.111 24.444 1.00 42.33 O ATOM 2310 CB SER A 164 2.379 17.539 24.957 1.00 23.42 C ATOM 2311 OG SER A 164 2.810 18.705 24.278 1.00 45.12 O ATOM 0 H SER A 164 3.984 15.806 23.002 1.00 73.21 H new ATOM 0 HA SER A 164 4.147 16.612 25.754 1.00 41.21 H new ATOM 0 HB2 SER A 164 1.466 17.163 24.496 1.00 23.42 H new ATOM 0 HB3 SER A 164 2.136 17.785 25.991 1.00 23.42 H new ATOM 0 HG SER A 164 3.733 18.911 24.535 1.00 45.12 H new ATOM 2317 N TYR A 165 1.810 15.000 25.953 1.00 42.32 N ATOM 2318 CA TYR A 165 1.113 13.744 26.202 1.00 12.55 C ATOM 2319 C TYR A 165 -0.310 13.793 25.654 1.00 50.10 C ATOM 2320 O TYR A 165 -1.179 14.461 26.213 1.00 33.31 O ATOM 2321 CB TYR A 165 1.083 13.443 27.702 1.00 63.43 C ATOM 2322 CG TYR A 165 0.813 14.658 28.559 1.00 55.30 C ATOM 2323 CD1 TYR A 165 -0.478 14.969 28.970 1.00 40.43 C ATOM 2324 CD2 TYR A 165 1.847 15.496 28.957 1.00 14.34 C ATOM 2325 CE1 TYR A 165 -0.730 16.079 29.752 1.00 14.54 C ATOM 2326 CE2 TYR A 165 1.604 16.608 29.741 1.00 33.52 C ATOM 2327 CZ TYR A 165 0.314 16.895 30.136 1.00 53.11 C ATOM 2328 OH TYR A 165 0.067 18.002 30.916 1.00 65.14 O ATOM 0 H TYR A 165 1.460 15.791 26.493 1.00 42.32 H new ATOM 0 HA TYR A 165 1.654 12.949 25.688 1.00 12.55 H new ATOM 0 HB2 TYR A 165 0.317 12.693 27.898 1.00 63.43 H new ATOM 0 HB3 TYR A 165 2.038 13.007 27.995 1.00 63.43 H new ATOM 0 HD1 TYR A 165 -1.298 14.332 28.673 1.00 40.43 H new ATOM 0 HD2 TYR A 165 2.858 15.275 28.649 1.00 14.34 H new ATOM 0 HE1 TYR A 165 -1.739 16.307 30.061 1.00 14.54 H new ATOM 0 HE2 TYR A 165 2.420 17.249 30.043 1.00 33.52 H new ATOM 0 HH TYR A 165 0.909 18.468 31.098 1.00 65.14 H new ATOM 2338 N GLU A 166 -0.539 13.080 24.556 1.00 64.42 N ATOM 2339 CA GLU A 166 -1.856 13.041 23.931 1.00 4.20 C ATOM 2340 C GLU A 166 -1.844 12.152 22.691 1.00 43.33 C ATOM 2341 O GLU A 166 -1.285 12.519 21.657 1.00 14.44 O ATOM 2342 CB GLU A 166 -2.308 14.454 23.555 1.00 23.12 C ATOM 2343 CG GLU A 166 -3.764 14.735 23.886 1.00 4.33 C ATOM 2344 CD GLU A 166 -4.038 16.211 24.105 1.00 64.41 C ATOM 2345 OE1 GLU A 166 -3.766 17.007 23.182 1.00 74.24 O ATOM 2346 OE2 GLU A 166 -4.522 16.569 25.198 1.00 14.13 O ATOM 0 H GLU A 166 0.170 12.522 24.081 1.00 64.42 H new ATOM 0 HA GLU A 166 -2.559 12.621 24.650 1.00 4.20 H new ATOM 0 HB2 GLU A 166 -1.680 15.178 24.074 1.00 23.12 H new ATOM 0 HB3 GLU A 166 -2.151 14.604 22.487 1.00 23.12 H new ATOM 0 HG2 GLU A 166 -4.394 14.369 23.076 1.00 4.33 H new ATOM 0 HG3 GLU A 166 -4.043 14.181 24.782 1.00 4.33 H new ATOM 2353 N GLU A 167 -2.463 10.982 22.803 1.00 74.42 N ATOM 2354 CA GLU A 167 -2.523 10.040 21.691 1.00 24.21 C ATOM 2355 C GLU A 167 -2.491 10.774 20.354 1.00 43.13 C ATOM 2356 O GLU A 167 -3.533 11.122 19.800 1.00 55.34 O ATOM 2357 CB GLU A 167 -3.788 9.184 21.785 1.00 4.14 C ATOM 2358 CG GLU A 167 -5.023 9.967 22.199 1.00 65.21 C ATOM 2359 CD GLU A 167 -5.304 9.869 23.686 1.00 52.43 C ATOM 2360 OE1 GLU A 167 -4.930 10.806 24.422 1.00 30.03 O ATOM 2361 OE2 GLU A 167 -5.898 8.857 24.113 1.00 51.44 O ATOM 0 H GLU A 167 -2.930 10.663 23.652 1.00 74.42 H new ATOM 0 HA GLU A 167 -1.649 9.391 21.751 1.00 24.21 H new ATOM 0 HB2 GLU A 167 -3.972 8.715 20.818 1.00 4.14 H new ATOM 0 HB3 GLU A 167 -3.620 8.380 22.502 1.00 4.14 H new ATOM 0 HG2 GLU A 167 -4.893 11.014 21.926 1.00 65.21 H new ATOM 0 HG3 GLU A 167 -5.886 9.597 21.645 1.00 65.21 H new ATOM 2368 N ASP A 168 -1.287 11.006 19.842 1.00 51.41 N ATOM 2369 CA ASP A 168 -1.118 11.699 18.570 1.00 61.34 C ATOM 2370 C ASP A 168 -0.125 10.960 17.677 1.00 54.41 C ATOM 2371 O ASP A 168 0.415 9.923 18.058 1.00 74.44 O ATOM 2372 CB ASP A 168 -0.642 13.133 18.805 1.00 53.35 C ATOM 2373 CG ASP A 168 -1.793 14.112 18.927 1.00 15.12 C ATOM 2374 OD1 ASP A 168 -1.596 15.304 18.609 1.00 20.21 O ATOM 2375 OD2 ASP A 168 -2.892 13.686 19.340 1.00 11.54 O ATOM 0 H ASP A 168 -0.414 10.724 20.288 1.00 51.41 H new ATOM 0 HA ASP A 168 -2.084 11.724 18.066 1.00 61.34 H new ATOM 0 HB2 ASP A 168 -0.040 13.169 19.713 1.00 53.35 H new ATOM 0 HB3 ASP A 168 0.005 13.438 17.982 1.00 53.35 H new ATOM 2380 N GLY A 169 0.109 11.503 16.486 1.00 43.11 N ATOM 2381 CA GLY A 169 1.035 10.882 15.557 1.00 23.11 C ATOM 2382 C GLY A 169 1.821 11.899 14.754 1.00 52.42 C ATOM 2383 O GLY A 169 1.352 13.014 14.522 1.00 70.24 O ATOM 0 H GLY A 169 -0.326 12.361 16.148 1.00 43.11 H new ATOM 0 HA2 GLY A 169 1.727 10.246 16.109 1.00 23.11 H new ATOM 0 HA3 GLY A 169 0.482 10.235 14.876 1.00 23.11 H new