USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 740 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 51 HIS : no HD1:sc= -0.365 K(o=-8.4,f=-6.1) USER MOD Set 1.2: A 53 GLN : amide:sc= -1.12 K(o=-8.4,f=-5.7) USER MOD Set 1.3: A 99 GLN : amide:sc= -7.28! C(o=-8.4!,f=-15!) USER MOD Set 1.4: A 102 TYR OH : rot -65:sc= 0.326 USER MOD Set 2.1: A 30 SER OG : rot 55:sc= 0.04! USER MOD Set 2.2: A 31 GLN : amide:sc=-0.00102 X(o=-0.95,f=-0.79) USER MOD Set 2.3: A 33 THR OG1 : rot 180:sc= -0.984 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 154:sc= -0.105 (180deg=-0.607) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.479 X(o=-0.48,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 149:sc= -0.115 (180deg=-0.835) USER MOD Single : A 50 HIS : no HD1:sc= -0.228 X(o=-0.23,f=-0.036) USER MOD Single : A 52 TYR OH : rot 130:sc= -0.973 USER MOD Single : A 57 LYS NZ :NH3+ 141:sc= 1.07 (180deg=0.759) USER MOD Single : A 61 SER OG : rot 180:sc= -0.0253 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.11) USER MOD Single : A 73 GLN : amide:sc= 0.834 K(o=0.83,f=-6.1!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 162:sc= -0.0124 (180deg=-0.401) USER MOD Single : A 79 ASN : amide:sc= -2.63! K(o=-2.6!,f=-1.1) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc= -0.0398 K(o=-0.04,f=-1.5) USER MOD Single : A 85 THR OG1 : rot 62:sc= 0.0119 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 27:sc= -0.647 USER MOD Single : A 95 ASN : amide:sc= -12.7! C(o=-13!,f=-27!) USER MOD Single : A 97 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.14) USER MOD Single : A 103 SER OG : rot -74:sc= 1.2 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 THR OG1 : rot -162:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 208 N VAL A 17 -13.079 -11.997 2.363 1.00 0.00 N ATOM 209 CA VAL A 17 -12.334 -10.789 2.032 1.00 0.00 C ATOM 210 C VAL A 17 -10.875 -11.110 1.724 1.00 0.00 C ATOM 211 O VAL A 17 -10.301 -12.069 2.241 1.00 0.00 O ATOM 212 CB VAL A 17 -12.391 -9.763 3.179 1.00 0.00 C ATOM 213 CG1 VAL A 17 -13.799 -9.211 3.332 1.00 0.00 C ATOM 214 CG2 VAL A 17 -11.910 -10.390 4.478 1.00 0.00 C ATOM 0 HA VAL A 17 -12.803 -10.360 1.147 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.727 -8.934 2.935 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -13.820 -8.488 4.147 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -14.101 -8.722 2.406 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -14.488 -10.027 3.553 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.957 -9.651 5.278 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -12.546 -11.238 4.730 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.882 -10.731 4.359 1.00 0.00 H new ATOM 224 N PRO A 18 -10.259 -10.290 0.859 1.00 0.00 N ATOM 225 CA PRO A 18 -8.859 -10.466 0.463 1.00 0.00 C ATOM 226 C PRO A 18 -7.891 -10.155 1.599 1.00 0.00 C ATOM 227 O PRO A 18 -8.177 -9.325 2.462 1.00 0.00 O ATOM 228 CB PRO A 18 -8.684 -9.460 -0.678 1.00 0.00 C ATOM 229 CG PRO A 18 -9.715 -8.415 -0.423 1.00 0.00 C ATOM 230 CD PRO A 18 -10.882 -9.128 0.202 1.00 0.00 C ATOM 0 HA PRO A 18 -8.643 -11.496 0.179 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.681 -9.034 -0.680 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.831 -9.933 -1.649 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.330 -7.641 0.241 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -10.009 -7.923 -1.350 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.404 -8.493 0.918 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.614 -9.434 -0.546 1.00 0.00 H new ATOM 238 N SER A 19 -6.744 -10.826 1.594 1.00 0.00 N ATOM 239 CA SER A 19 -5.734 -10.622 2.626 1.00 0.00 C ATOM 240 C SER A 19 -4.934 -9.351 2.361 1.00 0.00 C ATOM 241 O SER A 19 -4.917 -8.837 1.244 1.00 0.00 O ATOM 242 CB SER A 19 -4.793 -11.827 2.693 1.00 0.00 C ATOM 243 OG SER A 19 -4.116 -11.878 3.937 1.00 0.00 O ATOM 0 H SER A 19 -6.491 -11.516 0.887 1.00 0.00 H new ATOM 0 HA SER A 19 -6.245 -10.515 3.583 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.362 -12.745 2.547 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.067 -11.770 1.882 1.00 0.00 H new ATOM 0 HG SER A 19 -3.523 -12.658 3.955 1.00 0.00 H new ATOM 249 N SER A 20 -4.272 -8.850 3.400 1.00 0.00 N ATOM 250 CA SER A 20 -3.472 -7.636 3.281 1.00 0.00 C ATOM 251 C SER A 20 -2.311 -7.843 2.316 1.00 0.00 C ATOM 252 O SER A 20 -1.681 -8.900 2.279 1.00 0.00 O ATOM 253 CB SER A 20 -2.942 -7.214 4.653 1.00 0.00 C ATOM 254 OG SER A 20 -1.756 -7.918 4.980 1.00 0.00 O ATOM 0 H SER A 20 -4.274 -9.265 4.332 1.00 0.00 H new ATOM 0 HA SER A 20 -4.111 -6.846 2.887 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.745 -6.142 4.656 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.701 -7.401 5.413 1.00 0.00 H new ATOM 0 HG SER A 20 -1.436 -7.629 5.860 1.00 0.00 H new ATOM 260 N PRO A 21 -2.016 -6.809 1.514 1.00 0.00 N ATOM 261 CA PRO A 21 -0.928 -6.852 0.533 1.00 0.00 C ATOM 262 C PRO A 21 0.447 -6.857 1.192 1.00 0.00 C ATOM 263 O PRO A 21 0.560 -6.781 2.416 1.00 0.00 O ATOM 264 CB PRO A 21 -1.128 -5.567 -0.275 1.00 0.00 C ATOM 265 CG PRO A 21 -1.845 -4.645 0.649 1.00 0.00 C ATOM 266 CD PRO A 21 -2.724 -5.518 1.504 1.00 0.00 C ATOM 0 HA PRO A 21 -0.958 -7.760 -0.069 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -0.174 -5.146 -0.592 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -1.710 -5.754 -1.178 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -1.141 -4.081 1.261 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.438 -3.919 0.093 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.836 -5.113 2.510 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.726 -5.612 1.085 1.00 0.00 H new ATOM 274 N TYR A 22 1.490 -6.948 0.374 1.00 0.00 N ATOM 275 CA TYR A 22 2.858 -6.966 0.878 1.00 0.00 C ATOM 276 C TYR A 22 3.803 -6.255 -0.085 1.00 0.00 C ATOM 277 O TYR A 22 3.413 -5.873 -1.187 1.00 0.00 O ATOM 278 CB TYR A 22 3.324 -8.405 1.099 1.00 0.00 C ATOM 279 CG TYR A 22 3.237 -9.267 -0.141 1.00 0.00 C ATOM 280 CD1 TYR A 22 4.270 -9.287 -1.071 1.00 0.00 C ATOM 281 CD2 TYR A 22 2.123 -10.060 -0.383 1.00 0.00 C ATOM 282 CE1 TYR A 22 4.195 -10.071 -2.205 1.00 0.00 C ATOM 283 CE2 TYR A 22 2.038 -10.849 -1.514 1.00 0.00 C ATOM 284 CZ TYR A 22 3.077 -10.850 -2.423 1.00 0.00 C ATOM 285 OH TYR A 22 2.999 -11.634 -3.551 1.00 0.00 O ATOM 0 H TYR A 22 1.414 -7.010 -0.641 1.00 0.00 H new ATOM 0 HA TYR A 22 2.874 -6.436 1.831 1.00 0.00 H new ATOM 0 HB2 TYR A 22 4.355 -8.394 1.452 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.722 -8.856 1.888 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.147 -8.679 -0.904 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.308 -10.060 0.326 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.007 -10.075 -2.917 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.165 -11.461 -1.686 1.00 0.00 H new ATOM 0 HH TYR A 22 2.148 -12.121 -3.553 1.00 0.00 H new ATOM 295 N GLY A 23 5.051 -6.081 0.340 1.00 0.00 N ATOM 296 CA GLY A 23 6.034 -5.418 -0.496 1.00 0.00 C ATOM 297 C GLY A 23 5.892 -3.908 -0.472 1.00 0.00 C ATOM 298 O GLY A 23 6.768 -3.188 -0.949 1.00 0.00 O ATOM 0 H GLY A 23 5.398 -6.388 1.249 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.035 -5.691 -0.161 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.933 -5.773 -1.522 1.00 0.00 H new ATOM 302 N VAL A 24 4.784 -3.429 0.086 1.00 0.00 N ATOM 303 CA VAL A 24 4.530 -1.996 0.171 1.00 0.00 C ATOM 304 C VAL A 24 5.741 -1.255 0.727 1.00 0.00 C ATOM 305 O VAL A 24 6.075 -1.384 1.904 1.00 0.00 O ATOM 306 CB VAL A 24 3.306 -1.694 1.056 1.00 0.00 C ATOM 307 CG1 VAL A 24 3.288 -2.610 2.270 1.00 0.00 C ATOM 308 CG2 VAL A 24 3.302 -0.233 1.478 1.00 0.00 C ATOM 0 H VAL A 24 4.049 -4.012 0.485 1.00 0.00 H new ATOM 0 HA VAL A 24 4.330 -1.650 -0.843 1.00 0.00 H new ATOM 0 HB VAL A 24 2.403 -1.882 0.476 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.417 -2.383 2.884 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.240 -3.648 1.942 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.195 -2.456 2.855 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.430 -0.037 2.103 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.209 -0.015 2.042 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.264 0.401 0.592 1.00 0.00 H new ATOM 318 N LYS A 25 6.396 -0.477 -0.129 1.00 0.00 N ATOM 319 CA LYS A 25 7.570 0.288 0.276 1.00 0.00 C ATOM 320 C LYS A 25 7.724 1.541 -0.579 1.00 0.00 C ATOM 321 O LYS A 25 7.565 1.494 -1.800 1.00 0.00 O ATOM 322 CB LYS A 25 8.829 -0.576 0.167 1.00 0.00 C ATOM 323 CG LYS A 25 9.017 -1.206 -1.202 1.00 0.00 C ATOM 324 CD LYS A 25 9.819 -0.305 -2.126 1.00 0.00 C ATOM 325 CE LYS A 25 11.310 -0.583 -2.019 1.00 0.00 C ATOM 326 NZ LYS A 25 11.654 -1.954 -2.486 1.00 0.00 N ATOM 0 H LYS A 25 6.134 -0.360 -1.108 1.00 0.00 H new ATOM 0 HA LYS A 25 7.435 0.593 1.314 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.701 0.036 0.399 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.784 -1.365 0.918 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.525 -2.164 -1.096 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.043 -1.410 -1.647 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.493 -0.455 -3.155 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.624 0.738 -1.878 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.859 0.150 -2.610 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.629 -0.462 -0.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.640 -1.971 -2.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.539 -2.627 -1.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.023 -2.223 -3.268 1.00 0.00 H new ATOM 340 N ILE A 26 8.034 2.659 0.068 1.00 0.00 N ATOM 341 CA ILE A 26 8.213 3.924 -0.635 1.00 0.00 C ATOM 342 C ILE A 26 9.530 3.944 -1.405 1.00 0.00 C ATOM 343 O ILE A 26 10.606 3.837 -0.815 1.00 0.00 O ATOM 344 CB ILE A 26 8.180 5.117 0.336 1.00 0.00 C ATOM 345 CG1 ILE A 26 7.138 4.882 1.433 1.00 0.00 C ATOM 346 CG2 ILE A 26 7.882 6.406 -0.416 1.00 0.00 C ATOM 347 CD1 ILE A 26 5.777 4.497 0.901 1.00 0.00 C ATOM 0 H ILE A 26 8.167 2.715 1.078 1.00 0.00 H new ATOM 0 HA ILE A 26 7.384 4.015 -1.337 1.00 0.00 H new ATOM 0 HB ILE A 26 9.160 5.211 0.804 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.494 4.096 2.099 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.042 5.788 2.032 1.00 0.00 H new ATOM 0 HG21 ILE A 26 7.862 7.240 0.285 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.656 6.579 -1.163 1.00 0.00 H new ATOM 0 HG23 ILE A 26 6.914 6.324 -0.909 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.090 4.346 1.734 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.399 5.292 0.258 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.859 3.574 0.327 1.00 0.00 H new ATOM 359 N ILE A 27 9.437 4.085 -2.722 1.00 0.00 N ATOM 360 CA ILE A 27 10.621 4.123 -3.571 1.00 0.00 C ATOM 361 C ILE A 27 10.981 5.556 -3.949 1.00 0.00 C ATOM 362 O ILE A 27 12.151 5.935 -3.937 1.00 0.00 O ATOM 363 CB ILE A 27 10.418 3.301 -4.858 1.00 0.00 C ATOM 364 CG1 ILE A 27 9.145 3.746 -5.578 1.00 0.00 C ATOM 365 CG2 ILE A 27 10.357 1.815 -4.533 1.00 0.00 C ATOM 366 CD1 ILE A 27 8.889 3.002 -6.870 1.00 0.00 C ATOM 0 H ILE A 27 8.554 4.175 -3.225 1.00 0.00 H new ATOM 0 HA ILE A 27 11.436 3.686 -2.995 1.00 0.00 H new ATOM 0 HB ILE A 27 11.267 3.474 -5.520 1.00 0.00 H new ATOM 0 HG12 ILE A 27 8.293 3.606 -4.913 1.00 0.00 H new ATOM 0 HG13 ILE A 27 9.211 4.813 -5.790 1.00 0.00 H new ATOM 0 HG21 ILE A 27 10.213 1.247 -5.452 1.00 0.00 H new ATOM 0 HG22 ILE A 27 11.289 1.508 -4.059 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.525 1.625 -3.855 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.970 3.370 -7.326 1.00 0.00 H new ATOM 0 HD12 ILE A 27 9.723 3.163 -7.554 1.00 0.00 H new ATOM 0 HD13 ILE A 27 8.790 1.936 -6.663 1.00 0.00 H new ATOM 378 N GLU A 28 9.966 6.346 -4.282 1.00 0.00 N ATOM 379 CA GLU A 28 10.175 7.738 -4.662 1.00 0.00 C ATOM 380 C GLU A 28 9.494 8.682 -3.674 1.00 0.00 C ATOM 381 O GLU A 28 8.330 9.045 -3.848 1.00 0.00 O ATOM 382 CB GLU A 28 9.643 7.991 -6.074 1.00 0.00 C ATOM 383 CG GLU A 28 10.312 7.136 -7.139 1.00 0.00 C ATOM 384 CD GLU A 28 10.321 7.803 -8.501 1.00 0.00 C ATOM 385 OE1 GLU A 28 10.531 9.033 -8.558 1.00 0.00 O ATOM 386 OE2 GLU A 28 10.118 7.095 -9.510 1.00 0.00 O ATOM 0 H GLU A 28 8.991 6.046 -4.296 1.00 0.00 H new ATOM 0 HA GLU A 28 11.247 7.934 -4.645 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.570 7.801 -6.088 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.784 9.043 -6.323 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.337 6.922 -6.837 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.794 6.180 -7.210 1.00 0.00 H new ATOM 393 N LEU A 29 10.227 9.073 -2.638 1.00 0.00 N ATOM 394 CA LEU A 29 9.695 9.973 -1.621 1.00 0.00 C ATOM 395 C LEU A 29 10.125 11.411 -1.888 1.00 0.00 C ATOM 396 O LEU A 29 11.277 11.671 -2.234 1.00 0.00 O ATOM 397 CB LEU A 29 10.163 9.537 -0.231 1.00 0.00 C ATOM 398 CG LEU A 29 9.543 10.285 0.950 1.00 0.00 C ATOM 399 CD1 LEU A 29 8.068 9.941 1.085 1.00 0.00 C ATOM 400 CD2 LEU A 29 10.288 9.960 2.236 1.00 0.00 C ATOM 0 H LEU A 29 11.191 8.781 -2.480 1.00 0.00 H new ATOM 0 HA LEU A 29 8.607 9.926 -1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.950 8.474 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.246 9.653 -0.181 1.00 0.00 H new ATOM 0 HG LEU A 29 9.629 11.355 0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.644 10.483 1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.543 10.224 0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.958 8.869 1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.834 10.501 3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.233 8.888 2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.332 10.258 2.137 1.00 0.00 H new ATOM 412 N SER A 30 9.190 12.343 -1.722 1.00 0.00 N ATOM 413 CA SER A 30 9.473 13.756 -1.947 1.00 0.00 C ATOM 414 C SER A 30 9.129 14.582 -0.711 1.00 0.00 C ATOM 415 O SER A 30 8.772 14.037 0.332 1.00 0.00 O ATOM 416 CB SER A 30 8.684 14.270 -3.154 1.00 0.00 C ATOM 417 OG SER A 30 8.756 15.682 -3.246 1.00 0.00 O ATOM 0 H SER A 30 8.232 12.145 -1.433 1.00 0.00 H new ATOM 0 HA SER A 30 10.539 13.861 -2.148 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.077 13.822 -4.067 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.642 13.960 -3.070 1.00 0.00 H new ATOM 0 HG SER A 30 9.695 15.961 -3.262 1.00 0.00 H new ATOM 423 N GLN A 31 9.240 15.900 -0.839 1.00 0.00 N ATOM 424 CA GLN A 31 8.941 16.802 0.268 1.00 0.00 C ATOM 425 C GLN A 31 7.435 16.955 0.454 1.00 0.00 C ATOM 426 O GLN A 31 6.959 17.228 1.556 1.00 0.00 O ATOM 427 CB GLN A 31 9.580 18.171 0.025 1.00 0.00 C ATOM 428 CG GLN A 31 9.701 18.533 -1.447 1.00 0.00 C ATOM 429 CD GLN A 31 11.022 18.096 -2.049 1.00 0.00 C ATOM 430 OE1 GLN A 31 11.059 17.265 -2.956 1.00 0.00 O ATOM 431 NE2 GLN A 31 12.116 18.655 -1.544 1.00 0.00 N ATOM 0 H GLN A 31 9.534 16.367 -1.697 1.00 0.00 H new ATOM 0 HA GLN A 31 9.358 16.371 1.178 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.988 18.934 0.531 1.00 0.00 H new ATOM 0 HB3 GLN A 31 10.572 18.185 0.477 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.883 18.070 -1.999 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.593 19.611 -1.562 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.038 19.340 -0.792 1.00 0.00 H new ATOM 0 HE22 GLN A 31 13.034 18.399 -1.908 1.00 0.00 H new ATOM 440 N THR A 32 6.689 16.779 -0.633 1.00 0.00 N ATOM 441 CA THR A 32 5.237 16.900 -0.590 1.00 0.00 C ATOM 442 C THR A 32 4.565 15.652 -1.148 1.00 0.00 C ATOM 443 O THR A 32 3.443 15.313 -0.768 1.00 0.00 O ATOM 444 CB THR A 32 4.752 18.128 -1.383 1.00 0.00 C ATOM 445 OG1 THR A 32 4.886 17.889 -2.788 1.00 0.00 O ATOM 446 CG2 THR A 32 5.542 19.369 -0.997 1.00 0.00 C ATOM 0 H THR A 32 7.067 16.552 -1.553 1.00 0.00 H new ATOM 0 HA THR A 32 4.961 17.021 0.458 1.00 0.00 H new ATOM 0 HB THR A 32 3.702 18.296 -1.142 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.574 18.674 -3.285 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.181 20.223 -1.570 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.413 19.566 0.067 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.599 19.209 -1.211 1.00 0.00 H new ATOM 454 N THR A 33 5.257 14.967 -2.053 1.00 0.00 N ATOM 455 CA THR A 33 4.727 13.754 -2.665 1.00 0.00 C ATOM 456 C THR A 33 5.445 12.516 -2.142 1.00 0.00 C ATOM 457 O THR A 33 6.586 12.593 -1.687 1.00 0.00 O ATOM 458 CB THR A 33 4.854 13.798 -4.199 1.00 0.00 C ATOM 459 OG1 THR A 33 6.062 14.469 -4.572 1.00 0.00 O ATOM 460 CG2 THR A 33 3.661 14.508 -4.821 1.00 0.00 C ATOM 0 H THR A 33 6.187 15.232 -2.379 1.00 0.00 H new ATOM 0 HA THR A 33 3.672 13.699 -2.397 1.00 0.00 H new ATOM 0 HB THR A 33 4.880 12.773 -4.568 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.136 14.491 -5.549 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.773 14.527 -5.905 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.745 13.977 -4.560 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.608 15.529 -4.444 1.00 0.00 H new ATOM 468 N ALA A 34 4.770 11.372 -2.210 1.00 0.00 N ATOM 469 CA ALA A 34 5.345 10.116 -1.746 1.00 0.00 C ATOM 470 C ALA A 34 4.800 8.936 -2.543 1.00 0.00 C ATOM 471 O ALA A 34 3.606 8.643 -2.502 1.00 0.00 O ATOM 472 CB ALA A 34 5.069 9.926 -0.262 1.00 0.00 C ATOM 0 H ALA A 34 3.824 11.290 -2.582 1.00 0.00 H new ATOM 0 HA ALA A 34 6.423 10.159 -1.901 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.504 8.984 0.071 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.512 10.749 0.299 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.993 9.909 -0.091 1.00 0.00 H new ATOM 478 N LYS A 35 5.684 8.260 -3.270 1.00 0.00 N ATOM 479 CA LYS A 35 5.294 7.110 -4.076 1.00 0.00 C ATOM 480 C LYS A 35 5.362 5.824 -3.259 1.00 0.00 C ATOM 481 O LYS A 35 6.374 5.534 -2.621 1.00 0.00 O ATOM 482 CB LYS A 35 6.197 6.994 -5.307 1.00 0.00 C ATOM 483 CG LYS A 35 5.718 5.968 -6.318 1.00 0.00 C ATOM 484 CD LYS A 35 6.445 6.110 -7.645 1.00 0.00 C ATOM 485 CE LYS A 35 5.847 7.224 -8.491 1.00 0.00 C ATOM 486 NZ LYS A 35 6.641 7.467 -9.728 1.00 0.00 N ATOM 0 H LYS A 35 6.677 8.490 -3.317 1.00 0.00 H new ATOM 0 HA LYS A 35 4.264 7.258 -4.401 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.262 7.968 -5.793 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.205 6.731 -4.985 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.875 4.965 -5.922 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.646 6.084 -6.475 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.500 6.316 -7.463 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.394 5.169 -8.192 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.823 6.965 -8.761 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.800 8.141 -7.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.202 8.233 -10.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.611 7.738 -9.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.665 6.599 -10.301 1.00 0.00 H new ATOM 500 N VAL A 36 4.279 5.055 -3.285 1.00 0.00 N ATOM 501 CA VAL A 36 4.216 3.797 -2.549 1.00 0.00 C ATOM 502 C VAL A 36 4.033 2.615 -3.494 1.00 0.00 C ATOM 503 O VAL A 36 3.014 2.505 -4.176 1.00 0.00 O ATOM 504 CB VAL A 36 3.066 3.804 -1.524 1.00 0.00 C ATOM 505 CG1 VAL A 36 1.731 4.018 -2.220 1.00 0.00 C ATOM 506 CG2 VAL A 36 3.058 2.509 -0.724 1.00 0.00 C ATOM 0 H VAL A 36 3.433 5.280 -3.808 1.00 0.00 H new ATOM 0 HA VAL A 36 5.164 3.692 -2.021 1.00 0.00 H new ATOM 0 HB VAL A 36 3.224 4.631 -0.832 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.931 4.020 -1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.743 4.974 -2.744 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.561 3.214 -2.936 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.239 2.531 -0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.925 1.664 -1.400 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.004 2.403 -0.194 1.00 0.00 H new ATOM 516 N SER A 37 5.027 1.733 -3.529 1.00 0.00 N ATOM 517 CA SER A 37 4.977 0.560 -4.393 1.00 0.00 C ATOM 518 C SER A 37 4.703 -0.702 -3.581 1.00 0.00 C ATOM 519 O SER A 37 5.439 -1.027 -2.649 1.00 0.00 O ATOM 520 CB SER A 37 6.291 0.411 -5.162 1.00 0.00 C ATOM 521 OG SER A 37 6.239 -0.689 -6.054 1.00 0.00 O ATOM 0 H SER A 37 5.876 1.809 -2.969 1.00 0.00 H new ATOM 0 HA SER A 37 4.162 0.697 -5.104 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.495 1.325 -5.719 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.113 0.275 -4.460 1.00 0.00 H new ATOM 0 HG SER A 37 7.090 -0.761 -6.534 1.00 0.00 H new ATOM 527 N PHE A 38 3.638 -1.411 -3.941 1.00 0.00 N ATOM 528 CA PHE A 38 3.264 -2.637 -3.246 1.00 0.00 C ATOM 529 C PHE A 38 2.952 -3.752 -4.240 1.00 0.00 C ATOM 530 O PHE A 38 2.987 -3.545 -5.452 1.00 0.00 O ATOM 531 CB PHE A 38 2.054 -2.389 -2.344 1.00 0.00 C ATOM 532 CG PHE A 38 0.906 -1.727 -3.051 1.00 0.00 C ATOM 533 CD1 PHE A 38 0.850 -0.347 -3.168 1.00 0.00 C ATOM 534 CD2 PHE A 38 -0.118 -2.484 -3.597 1.00 0.00 C ATOM 535 CE1 PHE A 38 -0.205 0.266 -3.818 1.00 0.00 C ATOM 536 CE2 PHE A 38 -1.175 -1.876 -4.249 1.00 0.00 C ATOM 537 CZ PHE A 38 -1.219 -0.500 -4.358 1.00 0.00 C ATOM 0 H PHE A 38 3.019 -1.157 -4.711 1.00 0.00 H new ATOM 0 HA PHE A 38 4.108 -2.948 -2.631 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.717 -3.340 -1.932 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.359 -1.767 -1.502 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.640 0.257 -2.746 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.090 -3.560 -3.512 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.236 1.342 -3.903 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.966 -2.477 -4.673 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.045 -0.024 -4.865 1.00 0.00 H new ATOM 547 N ASN A 39 2.648 -4.936 -3.716 1.00 0.00 N ATOM 548 CA ASN A 39 2.332 -6.085 -4.556 1.00 0.00 C ATOM 549 C ASN A 39 0.942 -6.625 -4.236 1.00 0.00 C ATOM 550 O ASN A 39 0.300 -6.193 -3.279 1.00 0.00 O ATOM 551 CB ASN A 39 3.377 -7.185 -4.366 1.00 0.00 C ATOM 552 CG ASN A 39 4.731 -6.803 -4.932 1.00 0.00 C ATOM 553 OD1 ASN A 39 4.880 -6.618 -6.140 1.00 0.00 O ATOM 554 ND2 ASN A 39 5.724 -6.683 -4.059 1.00 0.00 N ATOM 0 H ASN A 39 2.614 -5.124 -2.714 1.00 0.00 H new ATOM 0 HA ASN A 39 2.345 -5.759 -5.596 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.480 -7.405 -3.303 1.00 0.00 H new ATOM 0 HB3 ASN A 39 3.030 -8.099 -4.848 1.00 0.00 H new ATOM 0 HD21 ASN A 39 6.658 -6.428 -4.381 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.553 -6.846 -3.067 1.00 0.00 H new ATOM 561 N LYS A 40 0.483 -7.576 -5.044 1.00 0.00 N ATOM 562 CA LYS A 40 -0.829 -8.179 -4.847 1.00 0.00 C ATOM 563 C LYS A 40 -0.855 -9.027 -3.579 1.00 0.00 C ATOM 564 O LYS A 40 0.164 -9.560 -3.140 1.00 0.00 O ATOM 565 CB LYS A 40 -1.205 -9.040 -6.055 1.00 0.00 C ATOM 566 CG LYS A 40 -1.019 -8.332 -7.386 1.00 0.00 C ATOM 567 CD LYS A 40 -2.274 -7.580 -7.799 1.00 0.00 C ATOM 568 CE LYS A 40 -3.213 -8.464 -8.606 1.00 0.00 C ATOM 569 NZ LYS A 40 -4.159 -9.211 -7.732 1.00 0.00 N ATOM 0 H LYS A 40 1.001 -7.945 -5.841 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.557 -7.375 -4.740 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.600 -9.947 -6.047 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.246 -9.350 -5.960 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.183 -7.636 -7.315 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.762 -9.061 -8.154 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.790 -7.215 -6.911 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.998 -6.706 -8.389 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.776 -7.850 -9.309 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.629 -9.170 -9.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.055 -9.362 -8.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.745 -10.131 -7.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.339 -8.663 -6.867 1.00 0.00 H new ATOM 583 N PRO A 41 -2.046 -9.158 -2.975 1.00 0.00 N ATOM 584 CA PRO A 41 -2.231 -9.941 -1.751 1.00 0.00 C ATOM 585 C PRO A 41 -2.080 -11.439 -1.993 1.00 0.00 C ATOM 586 O PRO A 41 -2.727 -12.003 -2.876 1.00 0.00 O ATOM 587 CB PRO A 41 -3.665 -9.609 -1.331 1.00 0.00 C ATOM 588 CG PRO A 41 -4.349 -9.219 -2.596 1.00 0.00 C ATOM 589 CD PRO A 41 -3.303 -8.550 -3.443 1.00 0.00 C ATOM 0 HA PRO A 41 -1.484 -9.699 -0.995 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -4.150 -10.467 -0.867 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.687 -8.798 -0.603 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.761 -10.092 -3.102 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.181 -8.543 -2.397 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.468 -8.734 -4.505 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.303 -7.469 -3.303 1.00 0.00 H new ATOM 652 N VAL A 47 -13.146 -13.958 -4.185 1.00 0.00 N ATOM 653 CA VAL A 47 -13.655 -13.131 -5.274 1.00 0.00 C ATOM 654 C VAL A 47 -12.576 -12.192 -5.800 1.00 0.00 C ATOM 655 O VAL A 47 -11.608 -11.869 -5.110 1.00 0.00 O ATOM 656 CB VAL A 47 -14.871 -12.298 -4.825 1.00 0.00 C ATOM 657 CG1 VAL A 47 -16.156 -13.092 -5.004 1.00 0.00 C ATOM 658 CG2 VAL A 47 -14.706 -11.853 -3.380 1.00 0.00 C ATOM 0 HA VAL A 47 -13.963 -13.809 -6.070 1.00 0.00 H new ATOM 0 HB VAL A 47 -14.932 -11.408 -5.451 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -17.005 -12.488 -4.682 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -16.277 -13.357 -6.054 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -16.109 -14.001 -4.404 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -15.574 -11.266 -3.079 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -14.620 -12.729 -2.737 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -13.806 -11.245 -3.287 1.00 0.00 H new ATOM 668 N PRO A 48 -12.743 -11.740 -7.052 1.00 0.00 N ATOM 669 CA PRO A 48 -11.795 -10.829 -7.699 1.00 0.00 C ATOM 670 C PRO A 48 -11.821 -9.433 -7.088 1.00 0.00 C ATOM 671 O PRO A 48 -12.883 -8.822 -6.960 1.00 0.00 O ATOM 672 CB PRO A 48 -12.278 -10.786 -9.151 1.00 0.00 C ATOM 673 CG PRO A 48 -13.727 -11.121 -9.078 1.00 0.00 C ATOM 674 CD PRO A 48 -13.873 -12.084 -7.932 1.00 0.00 C ATOM 0 HA PRO A 48 -10.765 -11.168 -7.587 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -12.121 -9.801 -9.591 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.737 -11.502 -9.770 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.327 -10.226 -8.914 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -14.071 -11.569 -10.010 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -14.830 -11.962 -7.424 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.820 -13.120 -8.268 1.00 0.00 H new ATOM 682 N ILE A 49 -10.649 -8.935 -6.711 1.00 0.00 N ATOM 683 CA ILE A 49 -10.539 -7.610 -6.114 1.00 0.00 C ATOM 684 C ILE A 49 -11.082 -6.538 -7.052 1.00 0.00 C ATOM 685 O ILE A 49 -11.022 -6.677 -8.274 1.00 0.00 O ATOM 686 CB ILE A 49 -9.079 -7.272 -5.759 1.00 0.00 C ATOM 687 CG1 ILE A 49 -8.581 -8.183 -4.634 1.00 0.00 C ATOM 688 CG2 ILE A 49 -8.956 -5.810 -5.356 1.00 0.00 C ATOM 689 CD1 ILE A 49 -7.078 -8.167 -4.464 1.00 0.00 C ATOM 0 H ILE A 49 -9.762 -9.429 -6.808 1.00 0.00 H new ATOM 0 HA ILE A 49 -11.133 -7.626 -5.200 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.459 -7.440 -6.640 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -9.048 -7.878 -3.697 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -8.905 -9.204 -4.834 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.918 -5.587 -5.108 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.276 -5.176 -6.183 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.586 -5.618 -4.487 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.797 -8.835 -3.650 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.604 -8.501 -5.387 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.749 -7.154 -4.232 1.00 0.00 H new ATOM 701 N HIS A 50 -11.611 -5.465 -6.472 1.00 0.00 N ATOM 702 CA HIS A 50 -12.165 -4.366 -7.256 1.00 0.00 C ATOM 703 C HIS A 50 -11.166 -3.217 -7.362 1.00 0.00 C ATOM 704 O HIS A 50 -10.900 -2.711 -8.452 1.00 0.00 O ATOM 705 CB HIS A 50 -13.468 -3.869 -6.630 1.00 0.00 C ATOM 706 CG HIS A 50 -14.683 -4.593 -7.120 1.00 0.00 C ATOM 707 ND1 HIS A 50 -15.752 -4.904 -6.307 1.00 0.00 N ATOM 708 CD2 HIS A 50 -14.996 -5.066 -8.349 1.00 0.00 C ATOM 709 CE1 HIS A 50 -16.670 -5.539 -7.015 1.00 0.00 C ATOM 710 NE2 HIS A 50 -16.236 -5.648 -8.258 1.00 0.00 N ATOM 0 H HIS A 50 -11.668 -5.333 -5.462 1.00 0.00 H new ATOM 0 HA HIS A 50 -12.373 -4.738 -8.259 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -13.404 -3.975 -5.547 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -13.580 -2.805 -6.840 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -14.384 -4.998 -9.236 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -17.614 -5.906 -6.641 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -16.740 -6.092 -9.025 1.00 0.00 H new ATOM 719 N HIS A 51 -10.617 -2.811 -6.222 1.00 0.00 N ATOM 720 CA HIS A 51 -9.648 -1.722 -6.186 1.00 0.00 C ATOM 721 C HIS A 51 -8.885 -1.715 -4.864 1.00 0.00 C ATOM 722 O HIS A 51 -9.199 -2.481 -3.953 1.00 0.00 O ATOM 723 CB HIS A 51 -10.350 -0.379 -6.389 1.00 0.00 C ATOM 724 CG HIS A 51 -11.119 0.082 -5.189 1.00 0.00 C ATOM 725 ND1 HIS A 51 -12.446 -0.230 -4.981 1.00 0.00 N ATOM 726 CD2 HIS A 51 -10.740 0.835 -4.130 1.00 0.00 C ATOM 727 CE1 HIS A 51 -12.850 0.313 -3.846 1.00 0.00 C ATOM 728 NE2 HIS A 51 -11.834 0.964 -3.310 1.00 0.00 N ATOM 0 H HIS A 51 -10.827 -3.220 -5.311 1.00 0.00 H new ATOM 0 HA HIS A 51 -8.935 -1.878 -6.996 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -9.606 0.375 -6.646 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -11.030 -0.458 -7.238 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -9.760 1.256 -3.961 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -13.843 0.237 -3.428 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -11.858 1.479 -2.430 1.00 0.00 H new ATOM 737 N TYR A 52 -7.883 -0.848 -4.769 1.00 0.00 N ATOM 738 CA TYR A 52 -7.075 -0.745 -3.560 1.00 0.00 C ATOM 739 C TYR A 52 -7.340 0.572 -2.837 1.00 0.00 C ATOM 740 O TYR A 52 -7.610 1.594 -3.467 1.00 0.00 O ATOM 741 CB TYR A 52 -5.589 -0.860 -3.904 1.00 0.00 C ATOM 742 CG TYR A 52 -5.167 -2.256 -4.304 1.00 0.00 C ATOM 743 CD1 TYR A 52 -4.770 -3.184 -3.349 1.00 0.00 C ATOM 744 CD2 TYR A 52 -5.163 -2.647 -5.638 1.00 0.00 C ATOM 745 CE1 TYR A 52 -4.382 -4.460 -3.710 1.00 0.00 C ATOM 746 CE2 TYR A 52 -4.779 -3.921 -6.008 1.00 0.00 C ATOM 747 CZ TYR A 52 -4.389 -4.823 -5.041 1.00 0.00 C ATOM 748 OH TYR A 52 -4.004 -6.093 -5.406 1.00 0.00 O ATOM 0 H TYR A 52 -7.611 -0.207 -5.514 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.353 -1.564 -2.897 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.359 -0.173 -4.718 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.000 -0.544 -3.043 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.765 -2.903 -2.306 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.465 -1.942 -6.398 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -4.075 -5.169 -2.955 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -4.784 -4.209 -7.049 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.681 -6.482 -5.998 1.00 0.00 H new ATOM 758 N GLN A 53 -7.261 0.538 -1.511 1.00 0.00 N ATOM 759 CA GLN A 53 -7.492 1.729 -0.701 1.00 0.00 C ATOM 760 C GLN A 53 -6.217 2.153 0.020 1.00 0.00 C ATOM 761 O GLN A 53 -5.409 1.315 0.419 1.00 0.00 O ATOM 762 CB GLN A 53 -8.605 1.471 0.315 1.00 0.00 C ATOM 763 CG GLN A 53 -9.400 2.716 0.676 1.00 0.00 C ATOM 764 CD GLN A 53 -10.831 2.402 1.065 1.00 0.00 C ATOM 765 OE1 GLN A 53 -11.623 1.937 0.244 1.00 0.00 O ATOM 766 NE2 GLN A 53 -11.171 2.655 2.324 1.00 0.00 N ATOM 0 H GLN A 53 -7.039 -0.301 -0.975 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.797 2.537 -1.366 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.285 0.720 -0.086 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.168 1.053 1.222 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.908 3.230 1.501 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.400 3.401 -0.172 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.483 3.040 2.971 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.120 2.464 2.644 1.00 0.00 H new ATOM 775 N VAL A 54 -6.043 3.460 0.183 1.00 0.00 N ATOM 776 CA VAL A 54 -4.866 3.997 0.857 1.00 0.00 C ATOM 777 C VAL A 54 -5.251 5.088 1.849 1.00 0.00 C ATOM 778 O VAL A 54 -5.844 6.100 1.475 1.00 0.00 O ATOM 779 CB VAL A 54 -3.853 4.569 -0.152 1.00 0.00 C ATOM 780 CG1 VAL A 54 -2.683 5.215 0.573 1.00 0.00 C ATOM 781 CG2 VAL A 54 -3.370 3.479 -1.097 1.00 0.00 C ATOM 0 H VAL A 54 -6.702 4.167 -0.142 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.403 3.169 1.394 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.350 5.337 -0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.978 5.613 -0.157 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.049 6.025 1.204 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.183 4.470 1.192 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.655 3.900 -1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.889 2.687 -0.523 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.219 3.068 -1.643 1.00 0.00 H new ATOM 791 N ASP A 55 -4.907 4.878 3.115 1.00 0.00 N ATOM 792 CA ASP A 55 -5.216 5.845 4.162 1.00 0.00 C ATOM 793 C ASP A 55 -3.938 6.426 4.757 1.00 0.00 C ATOM 794 O ASP A 55 -3.188 5.731 5.445 1.00 0.00 O ATOM 795 CB ASP A 55 -6.053 5.190 5.261 1.00 0.00 C ATOM 796 CG ASP A 55 -7.221 4.398 4.704 1.00 0.00 C ATOM 797 OD1 ASP A 55 -7.129 3.939 3.547 1.00 0.00 O ATOM 798 OD2 ASP A 55 -8.227 4.238 5.427 1.00 0.00 O ATOM 0 H ASP A 55 -4.414 4.047 3.441 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.790 6.657 3.715 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.419 4.530 5.852 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.428 5.960 5.936 1.00 0.00 H new ATOM 803 N VAL A 56 -3.693 7.704 4.489 1.00 0.00 N ATOM 804 CA VAL A 56 -2.506 8.379 4.999 1.00 0.00 C ATOM 805 C VAL A 56 -2.882 9.577 5.864 1.00 0.00 C ATOM 806 O VAL A 56 -3.861 10.271 5.591 1.00 0.00 O ATOM 807 CB VAL A 56 -1.595 8.856 3.852 1.00 0.00 C ATOM 808 CG1 VAL A 56 -2.276 9.952 3.048 1.00 0.00 C ATOM 809 CG2 VAL A 56 -0.258 9.336 4.397 1.00 0.00 C ATOM 0 H VAL A 56 -4.301 8.293 3.921 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.966 7.652 5.605 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.409 8.013 3.186 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.617 10.276 2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.205 9.569 2.625 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.496 10.798 3.699 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.373 9.669 3.573 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.422 10.165 5.086 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.235 8.519 4.923 1.00 0.00 H new ATOM 819 N LYS A 57 -2.098 9.813 6.911 1.00 0.00 N ATOM 820 CA LYS A 57 -2.347 10.928 7.817 1.00 0.00 C ATOM 821 C LYS A 57 -1.145 11.171 8.724 1.00 0.00 C ATOM 822 O LYS A 57 -0.218 10.362 8.771 1.00 0.00 O ATOM 823 CB LYS A 57 -3.591 10.655 8.664 1.00 0.00 C ATOM 824 CG LYS A 57 -3.292 9.940 9.972 1.00 0.00 C ATOM 825 CD LYS A 57 -4.536 9.815 10.836 1.00 0.00 C ATOM 826 CE LYS A 57 -4.360 8.759 11.916 1.00 0.00 C ATOM 827 NZ LYS A 57 -3.517 9.250 13.041 1.00 0.00 N ATOM 0 H LYS A 57 -1.285 9.247 7.153 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.513 11.822 7.216 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.087 11.601 8.882 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.291 10.055 8.083 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.892 8.948 9.762 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.522 10.485 10.518 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.757 10.777 11.299 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.391 9.558 10.210 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.337 8.463 12.297 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.904 7.869 11.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.903 8.902 13.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.544 8.901 12.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.514 10.290 13.044 1.00 0.00 H new ATOM 841 N GLU A 58 -1.168 12.288 9.443 1.00 0.00 N ATOM 842 CA GLU A 58 -0.078 12.635 10.349 1.00 0.00 C ATOM 843 C GLU A 58 -0.156 11.814 11.632 1.00 0.00 C ATOM 844 O GLU A 58 -1.234 11.612 12.190 1.00 0.00 O ATOM 845 CB GLU A 58 -0.120 14.128 10.683 1.00 0.00 C ATOM 846 CG GLU A 58 0.645 14.994 9.697 1.00 0.00 C ATOM 847 CD GLU A 58 0.088 16.401 9.600 1.00 0.00 C ATOM 848 OE1 GLU A 58 -0.109 17.034 10.658 1.00 0.00 O ATOM 849 OE2 GLU A 58 -0.151 16.868 8.467 1.00 0.00 O ATOM 0 H GLU A 58 -1.928 12.968 9.417 1.00 0.00 H new ATOM 0 HA GLU A 58 0.863 12.408 9.849 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.159 14.456 10.712 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.290 14.280 11.681 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.692 15.042 9.997 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.617 14.528 8.712 1.00 0.00 H new ATOM 856 N VAL A 59 0.998 11.342 12.095 1.00 0.00 N ATOM 857 CA VAL A 59 1.062 10.542 13.313 1.00 0.00 C ATOM 858 C VAL A 59 0.454 11.289 14.494 1.00 0.00 C ATOM 859 O VAL A 59 0.189 10.702 15.543 1.00 0.00 O ATOM 860 CB VAL A 59 2.514 10.158 13.655 1.00 0.00 C ATOM 861 CG1 VAL A 59 3.421 11.377 13.579 1.00 0.00 C ATOM 862 CG2 VAL A 59 2.585 9.515 15.032 1.00 0.00 C ATOM 0 H VAL A 59 1.900 11.500 11.646 1.00 0.00 H new ATOM 0 HA VAL A 59 0.487 9.635 13.127 1.00 0.00 H new ATOM 0 HB VAL A 59 2.861 9.430 12.921 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.443 11.086 13.824 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.393 11.789 12.570 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.078 12.130 14.288 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.618 9.250 15.257 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.219 10.217 15.781 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.969 8.616 15.046 1.00 0.00 H new ATOM 872 N ALA A 60 0.234 12.588 14.316 1.00 0.00 N ATOM 873 CA ALA A 60 -0.345 13.416 15.367 1.00 0.00 C ATOM 874 C ALA A 60 -1.831 13.651 15.122 1.00 0.00 C ATOM 875 O ALA A 60 -2.632 13.656 16.057 1.00 0.00 O ATOM 876 CB ALA A 60 0.393 14.742 15.461 1.00 0.00 C ATOM 0 H ALA A 60 0.448 13.089 13.454 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.238 12.887 16.314 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.050 15.350 16.250 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.443 14.559 15.690 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.316 15.269 14.510 1.00 0.00 H new ATOM 882 N SER A 61 -2.195 13.848 13.858 1.00 0.00 N ATOM 883 CA SER A 61 -3.585 14.089 13.490 1.00 0.00 C ATOM 884 C SER A 61 -4.405 12.806 13.594 1.00 0.00 C ATOM 885 O SER A 61 -3.860 11.704 13.554 1.00 0.00 O ATOM 886 CB SER A 61 -3.670 14.649 12.069 1.00 0.00 C ATOM 887 OG SER A 61 -5.014 14.903 11.701 1.00 0.00 O ATOM 0 H SER A 61 -1.545 13.845 13.072 1.00 0.00 H new ATOM 0 HA SER A 61 -3.997 14.820 14.185 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.091 15.570 12.003 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.225 13.942 11.369 1.00 0.00 H new ATOM 0 HG SER A 61 -5.041 15.262 10.789 1.00 0.00 H new ATOM 893 N GLU A 62 -5.719 12.960 13.730 1.00 0.00 N ATOM 894 CA GLU A 62 -6.614 11.814 13.840 1.00 0.00 C ATOM 895 C GLU A 62 -7.564 11.750 12.648 1.00 0.00 C ATOM 896 O GLU A 62 -8.670 11.218 12.751 1.00 0.00 O ATOM 897 CB GLU A 62 -7.416 11.890 15.142 1.00 0.00 C ATOM 898 CG GLU A 62 -8.662 12.752 15.039 1.00 0.00 C ATOM 899 CD GLU A 62 -9.089 13.323 16.377 1.00 0.00 C ATOM 900 OE1 GLU A 62 -8.602 14.415 16.739 1.00 0.00 O ATOM 901 OE2 GLU A 62 -9.909 12.677 17.064 1.00 0.00 O ATOM 0 H GLU A 62 -6.186 13.866 13.767 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.006 10.909 13.847 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.705 10.882 15.440 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.776 12.284 15.931 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.477 13.569 14.342 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.477 12.158 14.625 1.00 0.00 H new ATOM 908 N ILE A 63 -7.124 12.294 11.518 1.00 0.00 N ATOM 909 CA ILE A 63 -7.934 12.296 10.306 1.00 0.00 C ATOM 910 C ILE A 63 -7.282 11.463 9.208 1.00 0.00 C ATOM 911 O ILE A 63 -6.278 11.866 8.622 1.00 0.00 O ATOM 912 CB ILE A 63 -8.159 13.727 9.784 1.00 0.00 C ATOM 913 CG1 ILE A 63 -8.891 14.567 10.832 1.00 0.00 C ATOM 914 CG2 ILE A 63 -8.942 13.697 8.480 1.00 0.00 C ATOM 915 CD1 ILE A 63 -8.901 16.048 10.522 1.00 0.00 C ATOM 0 H ILE A 63 -6.212 12.739 11.417 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.897 11.857 10.568 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.189 14.185 9.593 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.919 14.215 10.914 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.422 14.411 11.803 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.093 14.716 8.123 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.385 13.130 7.734 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.909 13.224 8.647 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -9.437 16.581 11.308 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.876 16.415 10.469 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.397 16.216 9.566 1.00 0.00 H new ATOM 927 N TRP A 64 -7.863 10.300 8.933 1.00 0.00 N ATOM 928 CA TRP A 64 -7.339 9.410 7.902 1.00 0.00 C ATOM 929 C TRP A 64 -7.818 9.838 6.520 1.00 0.00 C ATOM 930 O TRP A 64 -9.019 9.868 6.249 1.00 0.00 O ATOM 931 CB TRP A 64 -7.766 7.968 8.181 1.00 0.00 C ATOM 932 CG TRP A 64 -7.025 7.339 9.322 1.00 0.00 C ATOM 933 CD1 TRP A 64 -7.416 7.295 10.629 1.00 0.00 C ATOM 934 CD2 TRP A 64 -5.763 6.665 9.256 1.00 0.00 C ATOM 935 NE1 TRP A 64 -6.474 6.635 11.380 1.00 0.00 N ATOM 936 CE2 TRP A 64 -5.450 6.238 10.561 1.00 0.00 C ATOM 937 CE3 TRP A 64 -4.868 6.380 8.221 1.00 0.00 C ATOM 938 CZ2 TRP A 64 -4.281 5.542 10.857 1.00 0.00 C ATOM 939 CZ3 TRP A 64 -3.707 5.689 8.517 1.00 0.00 C ATOM 940 CH2 TRP A 64 -3.423 5.276 9.825 1.00 0.00 C ATOM 0 H TRP A 64 -8.695 9.952 9.408 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.251 9.469 7.922 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -8.834 7.948 8.396 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -7.611 7.370 7.283 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -8.332 7.717 11.016 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -6.528 6.468 12.385 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -5.079 6.693 7.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -4.059 5.224 11.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.007 5.464 7.726 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -2.508 4.737 10.023 1.00 0.00 H new ATOM 951 N LYS A 65 -6.873 10.166 5.645 1.00 0.00 N ATOM 952 CA LYS A 65 -7.198 10.590 4.289 1.00 0.00 C ATOM 953 C LYS A 65 -7.198 9.401 3.333 1.00 0.00 C ATOM 954 O LYS A 65 -6.177 8.739 3.152 1.00 0.00 O ATOM 955 CB LYS A 65 -6.198 11.645 3.809 1.00 0.00 C ATOM 956 CG LYS A 65 -6.230 12.928 4.621 1.00 0.00 C ATOM 957 CD LYS A 65 -5.368 14.008 3.990 1.00 0.00 C ATOM 958 CE LYS A 65 -3.893 13.789 4.289 1.00 0.00 C ATOM 959 NZ LYS A 65 -3.064 14.955 3.872 1.00 0.00 N ATOM 0 H LYS A 65 -5.874 10.146 5.852 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.198 11.025 4.300 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.193 11.225 3.848 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.404 11.881 2.765 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.257 13.283 4.703 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.881 12.728 5.634 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.524 14.016 2.911 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.675 14.985 4.364 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.761 13.613 5.356 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.547 12.894 3.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.065 14.767 4.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.170 15.108 2.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.378 15.805 4.383 1.00 0.00 H new ATOM 973 N ILE A 66 -8.349 9.139 2.723 1.00 0.00 N ATOM 974 CA ILE A 66 -8.480 8.032 1.783 1.00 0.00 C ATOM 975 C ILE A 66 -8.154 8.477 0.362 1.00 0.00 C ATOM 976 O ILE A 66 -8.671 9.486 -0.119 1.00 0.00 O ATOM 977 CB ILE A 66 -9.900 7.437 1.811 1.00 0.00 C ATOM 978 CG1 ILE A 66 -10.252 6.964 3.223 1.00 0.00 C ATOM 979 CG2 ILE A 66 -10.011 6.287 0.820 1.00 0.00 C ATOM 980 CD1 ILE A 66 -9.354 5.859 3.732 1.00 0.00 C ATOM 0 H ILE A 66 -9.204 9.678 2.863 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.768 7.267 2.093 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.608 8.213 1.521 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -10.194 7.811 3.906 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.285 6.616 3.234 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -11.020 5.876 0.851 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.798 6.651 -0.185 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.294 5.509 1.084 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.662 5.574 4.738 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.429 4.995 3.071 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -8.322 6.210 3.754 1.00 0.00 H new ATOM 992 N VAL A 67 -7.295 7.715 -0.308 1.00 0.00 N ATOM 993 CA VAL A 67 -6.902 8.028 -1.677 1.00 0.00 C ATOM 994 C VAL A 67 -6.923 6.781 -2.553 1.00 0.00 C ATOM 995 O VAL A 67 -5.990 5.979 -2.531 1.00 0.00 O ATOM 996 CB VAL A 67 -5.496 8.655 -1.728 1.00 0.00 C ATOM 997 CG1 VAL A 67 -5.079 8.915 -3.167 1.00 0.00 C ATOM 998 CG2 VAL A 67 -5.456 9.939 -0.912 1.00 0.00 C ATOM 0 H VAL A 67 -6.858 6.877 0.075 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.626 8.748 -2.058 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.787 7.951 -1.291 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.083 9.358 -3.183 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.067 7.974 -3.718 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.788 9.599 -3.633 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.455 10.369 -0.959 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.176 10.650 -1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.708 9.719 0.125 1.00 0.00 H new ATOM 1008 N ARG A 68 -7.994 6.625 -3.325 1.00 0.00 N ATOM 1009 CA ARG A 68 -8.137 5.474 -4.209 1.00 0.00 C ATOM 1010 C ARG A 68 -7.496 5.749 -5.567 1.00 0.00 C ATOM 1011 O ARG A 68 -7.287 6.902 -5.943 1.00 0.00 O ATOM 1012 CB ARG A 68 -9.614 5.125 -4.392 1.00 0.00 C ATOM 1013 CG ARG A 68 -10.325 4.787 -3.091 1.00 0.00 C ATOM 1014 CD ARG A 68 -11.809 5.112 -3.167 1.00 0.00 C ATOM 1015 NE ARG A 68 -12.090 6.483 -2.751 1.00 0.00 N ATOM 1016 CZ ARG A 68 -13.217 7.122 -3.043 1.00 0.00 C ATOM 1017 NH1 ARG A 68 -14.163 6.519 -3.749 1.00 0.00 N ATOM 1018 NH2 ARG A 68 -13.400 8.370 -2.629 1.00 0.00 N ATOM 0 H ARG A 68 -8.775 7.281 -3.356 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.626 4.628 -3.749 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -10.121 5.965 -4.866 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.697 4.278 -5.073 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -10.194 3.728 -2.868 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.871 5.344 -2.271 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -12.161 4.963 -4.188 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -12.365 4.420 -2.534 1.00 0.00 H new ATOM 0 HE ARG A 68 -11.383 6.977 -2.207 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -14.027 5.561 -4.070 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -15.027 7.013 -3.971 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.675 8.839 -2.086 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -14.266 8.860 -2.854 1.00 0.00 H new ATOM 1032 N SER A 69 -7.188 4.682 -6.296 1.00 0.00 N ATOM 1033 CA SER A 69 -6.568 4.808 -7.610 1.00 0.00 C ATOM 1034 C SER A 69 -7.577 4.524 -8.718 1.00 0.00 C ATOM 1035 O SER A 69 -8.695 4.079 -8.455 1.00 0.00 O ATOM 1036 CB SER A 69 -5.379 3.851 -7.730 1.00 0.00 C ATOM 1037 OG SER A 69 -4.490 4.268 -8.753 1.00 0.00 O ATOM 0 H SER A 69 -7.357 3.721 -6.000 1.00 0.00 H new ATOM 0 HA SER A 69 -6.214 5.833 -7.720 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.848 3.804 -6.779 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.738 2.844 -7.944 1.00 0.00 H new ATOM 0 HG SER A 69 -3.738 3.642 -8.809 1.00 0.00 H new ATOM 1043 N HIS A 70 -7.176 4.785 -9.958 1.00 0.00 N ATOM 1044 CA HIS A 70 -8.045 4.557 -11.106 1.00 0.00 C ATOM 1045 C HIS A 70 -8.507 3.104 -11.158 1.00 0.00 C ATOM 1046 O HIS A 70 -9.687 2.810 -10.980 1.00 0.00 O ATOM 1047 CB HIS A 70 -7.319 4.921 -12.403 1.00 0.00 C ATOM 1048 CG HIS A 70 -6.590 6.227 -12.334 1.00 0.00 C ATOM 1049 ND1 HIS A 70 -7.234 7.445 -12.256 1.00 0.00 N ATOM 1050 CD2 HIS A 70 -5.265 6.502 -12.330 1.00 0.00 C ATOM 1051 CE1 HIS A 70 -6.336 8.412 -12.209 1.00 0.00 C ATOM 1052 NE2 HIS A 70 -5.133 7.867 -12.252 1.00 0.00 N ATOM 0 H HIS A 70 -6.255 5.155 -10.193 1.00 0.00 H new ATOM 0 HA HIS A 70 -8.922 5.195 -10.998 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.609 4.130 -12.647 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.043 4.961 -13.216 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.461 5.782 -12.379 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.549 9.469 -12.146 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.250 8.377 -12.231 1.00 0.00 H new ATOM 1061 N GLY A 71 -7.566 2.197 -11.407 1.00 0.00 N ATOM 1062 CA GLY A 71 -7.896 0.786 -11.479 1.00 0.00 C ATOM 1063 C GLY A 71 -7.357 0.003 -10.298 1.00 0.00 C ATOM 1064 O GLY A 71 -7.466 0.441 -9.153 1.00 0.00 O ATOM 0 H GLY A 71 -6.581 2.415 -11.560 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.979 0.671 -11.523 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.493 0.369 -12.402 1.00 0.00 H new ATOM 1068 N VAL A 72 -6.776 -1.160 -10.576 1.00 0.00 N ATOM 1069 CA VAL A 72 -6.220 -2.006 -9.527 1.00 0.00 C ATOM 1070 C VAL A 72 -4.711 -1.819 -9.413 1.00 0.00 C ATOM 1071 O VAL A 72 -4.011 -2.668 -8.862 1.00 0.00 O ATOM 1072 CB VAL A 72 -6.524 -3.494 -9.786 1.00 0.00 C ATOM 1073 CG1 VAL A 72 -8.025 -3.737 -9.807 1.00 0.00 C ATOM 1074 CG2 VAL A 72 -5.884 -3.949 -11.090 1.00 0.00 C ATOM 0 H VAL A 72 -6.678 -1.537 -11.519 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.692 -1.704 -8.592 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.097 -4.081 -8.973 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.220 -4.793 -9.991 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.453 -3.451 -8.846 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.479 -3.141 -10.599 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.109 -5.002 -11.257 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.280 -3.358 -11.916 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.804 -3.813 -11.032 1.00 0.00 H new ATOM 1084 N GLN A 73 -4.218 -0.702 -9.938 1.00 0.00 N ATOM 1085 CA GLN A 73 -2.791 -0.403 -9.894 1.00 0.00 C ATOM 1086 C GLN A 73 -2.186 -0.830 -8.560 1.00 0.00 C ATOM 1087 O GLN A 73 -2.895 -0.988 -7.566 1.00 0.00 O ATOM 1088 CB GLN A 73 -2.554 1.091 -10.121 1.00 0.00 C ATOM 1089 CG GLN A 73 -2.412 1.469 -11.586 1.00 0.00 C ATOM 1090 CD GLN A 73 -3.688 1.247 -12.372 1.00 0.00 C ATOM 1091 OE1 GLN A 73 -4.788 1.303 -11.821 1.00 0.00 O ATOM 1092 NE2 GLN A 73 -3.550 0.994 -13.669 1.00 0.00 N ATOM 0 H GLN A 73 -4.785 0.010 -10.398 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.303 -0.966 -10.690 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.383 1.652 -9.689 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -1.652 1.392 -9.588 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.122 2.517 -11.660 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.608 0.883 -12.032 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.619 0.957 -14.085 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -4.375 0.837 -14.249 1.00 0.00 H new ATOM 1101 N THR A 74 -0.869 -1.016 -8.546 1.00 0.00 N ATOM 1102 CA THR A 74 -0.170 -1.426 -7.335 1.00 0.00 C ATOM 1103 C THR A 74 0.761 -0.325 -6.838 1.00 0.00 C ATOM 1104 O THR A 74 1.376 -0.450 -5.781 1.00 0.00 O ATOM 1105 CB THR A 74 0.652 -2.709 -7.568 1.00 0.00 C ATOM 1106 OG1 THR A 74 1.644 -2.480 -8.575 1.00 0.00 O ATOM 1107 CG2 THR A 74 -0.251 -3.859 -7.990 1.00 0.00 C ATOM 0 H THR A 74 -0.266 -0.889 -9.359 1.00 0.00 H new ATOM 0 HA THR A 74 -0.933 -1.622 -6.581 1.00 0.00 H new ATOM 0 HB THR A 74 1.142 -2.976 -6.632 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.163 -3.299 -8.716 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.350 -4.754 -8.149 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.986 -4.050 -7.208 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.764 -3.598 -8.915 1.00 0.00 H new ATOM 1115 N MET A 75 0.857 0.754 -7.609 1.00 0.00 N ATOM 1116 CA MET A 75 1.712 1.879 -7.245 1.00 0.00 C ATOM 1117 C MET A 75 0.969 3.200 -7.409 1.00 0.00 C ATOM 1118 O MET A 75 0.381 3.468 -8.456 1.00 0.00 O ATOM 1119 CB MET A 75 2.979 1.883 -8.103 1.00 0.00 C ATOM 1120 CG MET A 75 4.131 2.657 -7.483 1.00 0.00 C ATOM 1121 SD MET A 75 5.723 2.247 -8.223 1.00 0.00 S ATOM 1122 CE MET A 75 5.552 3.013 -9.833 1.00 0.00 C ATOM 0 H MET A 75 0.354 0.873 -8.488 1.00 0.00 H new ATOM 0 HA MET A 75 1.992 1.767 -6.198 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.295 0.854 -8.275 1.00 0.00 H new ATOM 0 HB3 MET A 75 2.747 2.312 -9.078 1.00 0.00 H new ATOM 0 HG2 MET A 75 3.947 3.726 -7.595 1.00 0.00 H new ATOM 0 HG3 MET A 75 4.168 2.450 -6.413 1.00 0.00 H new ATOM 0 HE1 MET A 75 6.536 3.132 -10.286 1.00 0.00 H new ATOM 0 HE2 MET A 75 4.932 2.383 -10.472 1.00 0.00 H new ATOM 0 HE3 MET A 75 5.083 3.991 -9.723 1.00 0.00 H new ATOM 1132 N VAL A 76 1.000 4.024 -6.366 1.00 0.00 N ATOM 1133 CA VAL A 76 0.330 5.319 -6.395 1.00 0.00 C ATOM 1134 C VAL A 76 1.163 6.385 -5.690 1.00 0.00 C ATOM 1135 O VAL A 76 1.853 6.101 -4.711 1.00 0.00 O ATOM 1136 CB VAL A 76 -1.059 5.247 -5.732 1.00 0.00 C ATOM 1137 CG1 VAL A 76 -1.711 6.621 -5.710 1.00 0.00 C ATOM 1138 CG2 VAL A 76 -1.941 4.240 -6.454 1.00 0.00 C ATOM 0 H VAL A 76 1.482 3.818 -5.491 1.00 0.00 H new ATOM 0 HA VAL A 76 0.210 5.590 -7.444 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.935 4.914 -4.702 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.691 6.551 -5.238 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.085 7.312 -5.145 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.825 6.986 -6.731 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.918 4.202 -5.973 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.060 4.541 -7.495 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.477 3.254 -6.412 1.00 0.00 H new ATOM 1148 N VAL A 77 1.092 7.612 -6.195 1.00 0.00 N ATOM 1149 CA VAL A 77 1.839 8.722 -5.612 1.00 0.00 C ATOM 1150 C VAL A 77 0.930 9.617 -4.779 1.00 0.00 C ATOM 1151 O VAL A 77 -0.088 10.112 -5.263 1.00 0.00 O ATOM 1152 CB VAL A 77 2.520 9.572 -6.701 1.00 0.00 C ATOM 1153 CG1 VAL A 77 1.499 10.450 -7.409 1.00 0.00 C ATOM 1154 CG2 VAL A 77 3.634 10.414 -6.099 1.00 0.00 C ATOM 0 H VAL A 77 0.526 7.863 -7.005 1.00 0.00 H new ATOM 0 HA VAL A 77 2.604 8.287 -4.969 1.00 0.00 H new ATOM 0 HB VAL A 77 2.961 8.902 -7.439 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.998 11.043 -8.175 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.739 9.822 -7.874 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.027 11.115 -6.686 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.105 11.008 -6.882 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.219 11.077 -5.340 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.378 9.761 -5.643 1.00 0.00 H new ATOM 1164 N LEU A 78 1.305 9.823 -3.520 1.00 0.00 N ATOM 1165 CA LEU A 78 0.524 10.661 -2.617 1.00 0.00 C ATOM 1166 C LEU A 78 0.878 12.133 -2.798 1.00 0.00 C ATOM 1167 O LEU A 78 1.997 12.471 -3.180 1.00 0.00 O ATOM 1168 CB LEU A 78 0.765 10.241 -1.165 1.00 0.00 C ATOM 1169 CG LEU A 78 0.255 8.854 -0.774 1.00 0.00 C ATOM 1170 CD1 LEU A 78 0.769 8.465 0.602 1.00 0.00 C ATOM 1171 CD2 LEU A 78 -1.266 8.816 -0.808 1.00 0.00 C ATOM 0 H LEU A 78 2.144 9.421 -3.102 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.531 10.528 -2.857 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.837 10.280 -0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.295 10.976 -0.512 1.00 0.00 H new ATOM 0 HG LEU A 78 0.633 8.132 -1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.396 7.475 0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.859 8.451 0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.422 9.190 1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.611 7.821 -0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.664 9.550 -0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.613 9.050 -1.814 1.00 0.00 H new ATOM 1183 N ASN A 79 -0.086 13.006 -2.518 1.00 0.00 N ATOM 1184 CA ASN A 79 0.125 14.443 -2.649 1.00 0.00 C ATOM 1185 C ASN A 79 -0.512 15.194 -1.483 1.00 0.00 C ATOM 1186 O ASN A 79 -1.129 14.591 -0.606 1.00 0.00 O ATOM 1187 CB ASN A 79 -0.457 14.947 -3.972 1.00 0.00 C ATOM 1188 CG ASN A 79 -0.405 13.895 -5.064 1.00 0.00 C ATOM 1189 OD1 ASN A 79 0.297 14.055 -6.061 1.00 0.00 O ATOM 1190 ND2 ASN A 79 -1.150 12.812 -4.877 1.00 0.00 N ATOM 0 H ASN A 79 -1.019 12.743 -2.200 1.00 0.00 H new ATOM 0 HA ASN A 79 1.199 14.630 -2.637 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.491 15.255 -3.817 1.00 0.00 H new ATOM 0 HB3 ASN A 79 0.094 15.830 -4.295 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.155 12.070 -5.576 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.717 12.722 -4.034 1.00 0.00 H new ATOM 1197 N ASN A 80 -0.356 16.514 -1.481 1.00 0.00 N ATOM 1198 CA ASN A 80 -0.916 17.347 -0.422 1.00 0.00 C ATOM 1199 C ASN A 80 -0.305 16.992 0.930 1.00 0.00 C ATOM 1200 O ASN A 80 -1.020 16.773 1.909 1.00 0.00 O ATOM 1201 CB ASN A 80 -2.435 17.185 -0.367 1.00 0.00 C ATOM 1202 CG ASN A 80 -3.100 17.500 -1.693 1.00 0.00 C ATOM 1203 OD1 ASN A 80 -3.658 16.618 -2.345 1.00 0.00 O ATOM 1204 ND2 ASN A 80 -3.044 18.763 -2.097 1.00 0.00 N ATOM 0 H ASN A 80 0.153 17.029 -2.199 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.677 18.386 -0.646 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.678 16.163 -0.076 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.840 17.841 0.404 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.474 19.035 -2.981 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -2.571 19.461 -1.524 1.00 0.00 H new ATOM 1211 N LEU A 81 1.022 16.939 0.978 1.00 0.00 N ATOM 1212 CA LEU A 81 1.731 16.612 2.210 1.00 0.00 C ATOM 1213 C LEU A 81 2.751 17.691 2.556 1.00 0.00 C ATOM 1214 O LEU A 81 3.444 18.206 1.679 1.00 0.00 O ATOM 1215 CB LEU A 81 2.429 15.258 2.076 1.00 0.00 C ATOM 1216 CG LEU A 81 1.586 14.121 1.496 1.00 0.00 C ATOM 1217 CD1 LEU A 81 2.459 12.917 1.182 1.00 0.00 C ATOM 1218 CD2 LEU A 81 0.472 13.739 2.459 1.00 0.00 C ATOM 0 H LEU A 81 1.628 17.118 0.178 1.00 0.00 H new ATOM 0 HA LEU A 81 1.000 16.559 3.017 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.310 15.387 1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.782 14.955 3.062 1.00 0.00 H new ATOM 0 HG LEU A 81 1.133 14.467 0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.842 12.118 0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.220 13.199 0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.941 12.569 2.096 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.118 12.929 2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.905 13.412 3.405 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.170 14.602 2.633 1.00 0.00 H new ATOM 1230 N GLU A 82 2.837 18.029 3.839 1.00 0.00 N ATOM 1231 CA GLU A 82 3.774 19.047 4.299 1.00 0.00 C ATOM 1232 C GLU A 82 5.183 18.474 4.419 1.00 0.00 C ATOM 1233 O GLU A 82 5.383 17.325 4.818 1.00 0.00 O ATOM 1234 CB GLU A 82 3.325 19.613 5.646 1.00 0.00 C ATOM 1235 CG GLU A 82 2.207 20.637 5.535 1.00 0.00 C ATOM 1236 CD GLU A 82 2.719 22.023 5.195 1.00 0.00 C ATOM 1237 OE1 GLU A 82 3.331 22.662 6.076 1.00 0.00 O ATOM 1238 OE2 GLU A 82 2.506 22.470 4.048 1.00 0.00 O ATOM 0 H GLU A 82 2.270 17.613 4.577 1.00 0.00 H new ATOM 0 HA GLU A 82 3.789 19.851 3.563 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.993 18.793 6.283 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.180 20.074 6.140 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.500 20.317 4.769 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.660 20.676 6.477 1.00 0.00 H new ATOM 1245 N PRO A 83 6.186 19.291 4.068 1.00 0.00 N ATOM 1246 CA PRO A 83 7.595 18.890 4.127 1.00 0.00 C ATOM 1247 C PRO A 83 8.093 18.735 5.559 1.00 0.00 C ATOM 1248 O PRO A 83 7.594 19.389 6.474 1.00 0.00 O ATOM 1249 CB PRO A 83 8.323 20.041 3.429 1.00 0.00 C ATOM 1250 CG PRO A 83 7.426 21.217 3.600 1.00 0.00 C ATOM 1251 CD PRO A 83 6.023 20.673 3.584 1.00 0.00 C ATOM 0 HA PRO A 83 7.762 17.919 3.661 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.300 20.220 3.877 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.491 19.821 2.375 1.00 0.00 H new ATOM 0 HG2 PRO A 83 7.634 21.733 4.537 1.00 0.00 H new ATOM 0 HG3 PRO A 83 7.573 21.940 2.798 1.00 0.00 H new ATOM 0 HD2 PRO A 83 5.361 21.250 4.230 1.00 0.00 H new ATOM 0 HD3 PRO A 83 5.593 20.700 2.583 1.00 0.00 H new ATOM 1259 N ASN A 84 9.081 17.867 5.747 1.00 0.00 N ATOM 1260 CA ASN A 84 9.647 17.627 7.070 1.00 0.00 C ATOM 1261 C ASN A 84 8.578 17.125 8.037 1.00 0.00 C ATOM 1262 O ASN A 84 8.585 17.466 9.220 1.00 0.00 O ATOM 1263 CB ASN A 84 10.283 18.907 7.615 1.00 0.00 C ATOM 1264 CG ASN A 84 11.330 18.626 8.676 1.00 0.00 C ATOM 1265 OD1 ASN A 84 11.420 17.514 9.197 1.00 0.00 O ATOM 1266 ND2 ASN A 84 12.127 19.636 9.002 1.00 0.00 N ATOM 0 H ASN A 84 9.507 17.318 5.000 1.00 0.00 H new ATOM 0 HA ASN A 84 10.415 16.859 6.975 1.00 0.00 H new ATOM 0 HB2 ASN A 84 10.740 19.460 6.795 1.00 0.00 H new ATOM 0 HB3 ASN A 84 9.506 19.545 8.035 1.00 0.00 H new ATOM 0 HD21 ASN A 84 12.850 19.507 9.710 1.00 0.00 H new ATOM 0 HD22 ASN A 84 12.017 20.541 8.544 1.00 0.00 H new ATOM 1273 N THR A 85 7.660 16.312 7.524 1.00 0.00 N ATOM 1274 CA THR A 85 6.584 15.764 8.341 1.00 0.00 C ATOM 1275 C THR A 85 6.445 14.261 8.129 1.00 0.00 C ATOM 1276 O THR A 85 6.835 13.731 7.087 1.00 0.00 O ATOM 1277 CB THR A 85 5.237 16.443 8.024 1.00 0.00 C ATOM 1278 OG1 THR A 85 5.313 17.841 8.318 1.00 0.00 O ATOM 1279 CG2 THR A 85 4.111 15.810 8.829 1.00 0.00 C ATOM 0 H THR A 85 7.640 16.019 6.547 1.00 0.00 H new ATOM 0 HA THR A 85 6.845 15.959 9.381 1.00 0.00 H new ATOM 0 HB THR A 85 5.026 16.307 6.963 1.00 0.00 H new ATOM 0 HG1 THR A 85 5.998 18.257 7.754 1.00 0.00 H new ATOM 0 HG21 THR A 85 3.170 16.305 8.589 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.038 14.751 8.581 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.318 15.920 9.893 1.00 0.00 H new ATOM 1287 N THR A 86 5.886 13.577 9.122 1.00 0.00 N ATOM 1288 CA THR A 86 5.696 12.134 9.045 1.00 0.00 C ATOM 1289 C THR A 86 4.217 11.781 8.926 1.00 0.00 C ATOM 1290 O THR A 86 3.359 12.457 9.492 1.00 0.00 O ATOM 1291 CB THR A 86 6.284 11.423 10.278 1.00 0.00 C ATOM 1292 OG1 THR A 86 7.628 11.864 10.502 1.00 0.00 O ATOM 1293 CG2 THR A 86 6.264 9.913 10.093 1.00 0.00 C ATOM 0 H THR A 86 5.557 14.000 9.990 1.00 0.00 H new ATOM 0 HA THR A 86 6.222 11.793 8.153 1.00 0.00 H new ATOM 0 HB THR A 86 5.670 11.675 11.143 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.995 11.409 11.289 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.684 9.433 10.977 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.237 9.577 9.951 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.857 9.646 9.218 1.00 0.00 H new ATOM 1301 N TYR A 87 3.927 10.715 8.186 1.00 0.00 N ATOM 1302 CA TYR A 87 2.551 10.272 7.992 1.00 0.00 C ATOM 1303 C TYR A 87 2.470 8.750 7.951 1.00 0.00 C ATOM 1304 O TYR A 87 3.370 8.083 7.441 1.00 0.00 O ATOM 1305 CB TYR A 87 1.983 10.860 6.699 1.00 0.00 C ATOM 1306 CG TYR A 87 2.240 12.342 6.543 1.00 0.00 C ATOM 1307 CD1 TYR A 87 3.520 12.821 6.292 1.00 0.00 C ATOM 1308 CD2 TYR A 87 1.204 13.261 6.645 1.00 0.00 C ATOM 1309 CE1 TYR A 87 3.760 14.174 6.149 1.00 0.00 C ATOM 1310 CE2 TYR A 87 1.435 14.616 6.502 1.00 0.00 C ATOM 1311 CZ TYR A 87 2.714 15.068 6.255 1.00 0.00 C ATOM 1312 OH TYR A 87 2.949 16.416 6.112 1.00 0.00 O ATOM 0 H TYR A 87 4.626 10.143 7.712 1.00 0.00 H new ATOM 0 HA TYR A 87 1.959 10.626 8.836 1.00 0.00 H new ATOM 0 HB2 TYR A 87 2.417 10.333 5.849 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.908 10.681 6.670 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.341 12.124 6.207 1.00 0.00 H new ATOM 0 HD2 TYR A 87 0.201 12.911 6.839 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.761 14.530 5.955 1.00 0.00 H new ATOM 0 HE2 TYR A 87 0.618 15.317 6.583 1.00 0.00 H new ATOM 0 HH TYR A 87 3.736 16.552 5.545 1.00 0.00 H new ATOM 1322 N GLU A 88 1.383 8.206 8.491 1.00 0.00 N ATOM 1323 CA GLU A 88 1.184 6.762 8.516 1.00 0.00 C ATOM 1324 C GLU A 88 0.258 6.321 7.386 1.00 0.00 C ATOM 1325 O GLU A 88 -0.886 6.767 7.297 1.00 0.00 O ATOM 1326 CB GLU A 88 0.605 6.328 9.863 1.00 0.00 C ATOM 1327 CG GLU A 88 1.229 7.040 11.052 1.00 0.00 C ATOM 1328 CD GLU A 88 0.467 6.801 12.341 1.00 0.00 C ATOM 1329 OE1 GLU A 88 0.712 5.765 12.994 1.00 0.00 O ATOM 1330 OE2 GLU A 88 -0.376 7.652 12.698 1.00 0.00 O ATOM 0 H GLU A 88 0.628 8.744 8.916 1.00 0.00 H new ATOM 0 HA GLU A 88 2.154 6.285 8.375 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.469 6.512 9.863 1.00 0.00 H new ATOM 0 HB3 GLU A 88 0.745 5.253 9.980 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.258 6.701 11.174 1.00 0.00 H new ATOM 0 HG3 GLU A 88 1.268 8.110 10.850 1.00 0.00 H new ATOM 1337 N ILE A 89 0.763 5.443 6.525 1.00 0.00 N ATOM 1338 CA ILE A 89 -0.019 4.942 5.401 1.00 0.00 C ATOM 1339 C ILE A 89 -0.186 3.428 5.479 1.00 0.00 C ATOM 1340 O ILE A 89 0.716 2.716 5.922 1.00 0.00 O ATOM 1341 CB ILE A 89 0.634 5.306 4.054 1.00 0.00 C ATOM 1342 CG1 ILE A 89 0.154 4.355 2.956 1.00 0.00 C ATOM 1343 CG2 ILE A 89 2.150 5.265 4.173 1.00 0.00 C ATOM 1344 CD1 ILE A 89 0.516 4.811 1.560 1.00 0.00 C ATOM 0 H ILE A 89 1.708 5.065 6.584 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.998 5.417 5.461 1.00 0.00 H new ATOM 0 HB ILE A 89 0.337 6.320 3.785 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.582 3.368 3.129 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.929 4.250 3.026 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.597 5.524 3.213 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.475 5.979 4.930 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.465 4.262 4.461 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.144 4.089 0.833 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.066 5.785 1.367 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.600 4.889 1.472 1.00 0.00 H new ATOM 1356 N ARG A 90 -1.344 2.942 5.044 1.00 0.00 N ATOM 1357 CA ARG A 90 -1.629 1.513 5.065 1.00 0.00 C ATOM 1358 C ARG A 90 -2.391 1.092 3.812 1.00 0.00 C ATOM 1359 O ARG A 90 -3.376 1.725 3.430 1.00 0.00 O ATOM 1360 CB ARG A 90 -2.435 1.150 6.313 1.00 0.00 C ATOM 1361 CG ARG A 90 -3.664 2.022 6.519 1.00 0.00 C ATOM 1362 CD ARG A 90 -4.385 1.672 7.811 1.00 0.00 C ATOM 1363 NE ARG A 90 -5.611 2.446 7.981 1.00 0.00 N ATOM 1364 CZ ARG A 90 -6.193 2.654 9.156 1.00 0.00 C ATOM 1365 NH1 ARG A 90 -5.663 2.146 10.261 1.00 0.00 N ATOM 1366 NH2 ARG A 90 -7.308 3.369 9.229 1.00 0.00 N ATOM 0 H ARG A 90 -2.100 3.517 4.673 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.679 0.979 5.087 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.747 0.108 6.244 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.791 1.232 7.188 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.368 3.071 6.539 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.344 1.899 5.676 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.624 0.609 7.816 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.722 1.853 8.657 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.045 2.850 7.151 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.807 1.594 10.209 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.112 2.307 11.163 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.720 3.760 8.382 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.754 3.528 10.133 1.00 0.00 H new ATOM 1380 N VAL A 91 -1.930 0.020 3.176 1.00 0.00 N ATOM 1381 CA VAL A 91 -2.568 -0.485 1.967 1.00 0.00 C ATOM 1382 C VAL A 91 -3.472 -1.674 2.278 1.00 0.00 C ATOM 1383 O VAL A 91 -3.088 -2.582 3.014 1.00 0.00 O ATOM 1384 CB VAL A 91 -1.525 -0.909 0.916 1.00 0.00 C ATOM 1385 CG1 VAL A 91 -2.203 -1.251 -0.401 1.00 0.00 C ATOM 1386 CG2 VAL A 91 -0.489 0.188 0.723 1.00 0.00 C ATOM 0 H VAL A 91 -1.116 -0.516 3.478 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.169 0.330 1.563 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.013 -1.802 1.276 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.450 -1.548 -1.131 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.904 -2.072 -0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.742 -0.378 -0.770 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.241 -0.128 -0.023 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.983 1.099 0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.018 0.380 1.668 1.00 0.00 H new ATOM 1396 N ALA A 92 -4.675 -1.660 1.713 1.00 0.00 N ATOM 1397 CA ALA A 92 -5.632 -2.738 1.928 1.00 0.00 C ATOM 1398 C ALA A 92 -6.379 -3.072 0.642 1.00 0.00 C ATOM 1399 O ALA A 92 -6.606 -2.204 -0.201 1.00 0.00 O ATOM 1400 CB ALA A 92 -6.613 -2.360 3.028 1.00 0.00 C ATOM 0 H ALA A 92 -5.010 -0.914 1.103 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.080 -3.625 2.238 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.322 -3.174 3.178 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.068 -2.177 3.954 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.152 -1.457 2.740 1.00 0.00 H new ATOM 1406 N ALA A 93 -6.760 -4.337 0.496 1.00 0.00 N ATOM 1407 CA ALA A 93 -7.483 -4.786 -0.687 1.00 0.00 C ATOM 1408 C ALA A 93 -8.987 -4.819 -0.433 1.00 0.00 C ATOM 1409 O ALA A 93 -9.445 -5.378 0.564 1.00 0.00 O ATOM 1410 CB ALA A 93 -6.989 -6.158 -1.120 1.00 0.00 C ATOM 0 H ALA A 93 -6.580 -5.069 1.183 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.292 -4.074 -1.490 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.538 -6.480 -2.005 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.925 -6.105 -1.353 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.149 -6.873 -0.313 1.00 0.00 H new ATOM 1416 N VAL A 94 -9.750 -4.217 -1.339 1.00 0.00 N ATOM 1417 CA VAL A 94 -11.201 -4.179 -1.213 1.00 0.00 C ATOM 1418 C VAL A 94 -11.872 -4.959 -2.338 1.00 0.00 C ATOM 1419 O VAL A 94 -11.493 -4.839 -3.502 1.00 0.00 O ATOM 1420 CB VAL A 94 -11.727 -2.732 -1.221 1.00 0.00 C ATOM 1421 CG1 VAL A 94 -13.244 -2.715 -1.329 1.00 0.00 C ATOM 1422 CG2 VAL A 94 -11.265 -1.990 0.024 1.00 0.00 C ATOM 0 H VAL A 94 -9.387 -3.749 -2.169 1.00 0.00 H new ATOM 0 HA VAL A 94 -11.448 -4.642 -0.258 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.319 -2.221 -2.093 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -13.597 -1.684 -1.333 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.549 -3.206 -2.253 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.675 -3.243 -0.478 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.646 -0.969 0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -11.642 -2.498 0.911 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.176 -1.970 0.052 1.00 0.00 H new ATOM 1432 N ASN A 95 -12.874 -5.758 -1.983 1.00 0.00 N ATOM 1433 CA ASN A 95 -13.598 -6.557 -2.963 1.00 0.00 C ATOM 1434 C ASN A 95 -15.070 -6.686 -2.580 1.00 0.00 C ATOM 1435 O ASN A 95 -15.493 -6.204 -1.530 1.00 0.00 O ATOM 1436 CB ASN A 95 -12.969 -7.946 -3.086 1.00 0.00 C ATOM 1437 CG ASN A 95 -13.410 -8.881 -1.977 1.00 0.00 C ATOM 1438 OD1 ASN A 95 -14.065 -8.464 -1.021 1.00 0.00 O ATOM 1439 ND2 ASN A 95 -13.054 -10.154 -2.099 1.00 0.00 N ATOM 0 H ASN A 95 -13.202 -5.868 -1.024 1.00 0.00 H new ATOM 0 HA ASN A 95 -13.534 -6.050 -3.926 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -13.236 -8.379 -4.050 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -11.883 -7.853 -3.069 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -13.323 -10.830 -1.384 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -12.511 -10.456 -2.908 1.00 0.00 H new ATOM 1446 N GLY A 96 -15.844 -7.341 -3.439 1.00 0.00 N ATOM 1447 CA GLY A 96 -17.260 -7.523 -3.173 1.00 0.00 C ATOM 1448 C GLY A 96 -17.543 -7.811 -1.712 1.00 0.00 C ATOM 1449 O GLY A 96 -18.582 -7.416 -1.183 1.00 0.00 O ATOM 0 H GLY A 96 -15.517 -7.749 -4.315 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -17.801 -6.626 -3.475 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -17.638 -8.344 -3.782 1.00 0.00 H new ATOM 1453 N LYS A 97 -16.615 -8.502 -1.057 1.00 0.00 N ATOM 1454 CA LYS A 97 -16.768 -8.843 0.353 1.00 0.00 C ATOM 1455 C LYS A 97 -16.505 -7.630 1.238 1.00 0.00 C ATOM 1456 O LYS A 97 -17.285 -7.327 2.141 1.00 0.00 O ATOM 1457 CB LYS A 97 -15.815 -9.980 0.730 1.00 0.00 C ATOM 1458 CG LYS A 97 -15.849 -11.148 -0.241 1.00 0.00 C ATOM 1459 CD LYS A 97 -17.050 -12.045 0.006 1.00 0.00 C ATOM 1460 CE LYS A 97 -18.254 -11.602 -0.810 1.00 0.00 C ATOM 1461 NZ LYS A 97 -18.296 -12.266 -2.142 1.00 0.00 N ATOM 0 H LYS A 97 -15.749 -8.837 -1.480 1.00 0.00 H new ATOM 0 HA LYS A 97 -17.795 -9.170 0.513 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.799 -9.590 0.780 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -16.068 -10.340 1.727 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -15.879 -10.771 -1.263 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -14.933 -11.730 -0.143 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -16.795 -13.074 -0.248 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -17.303 -12.032 1.066 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -19.168 -11.830 -0.262 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -18.224 -10.521 -0.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -18.816 -11.665 -2.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -17.326 -12.412 -2.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -18.775 -13.185 -2.057 1.00 0.00 H new ATOM 1475 N GLY A 98 -15.402 -6.938 0.974 1.00 0.00 N ATOM 1476 CA GLY A 98 -15.056 -5.764 1.755 1.00 0.00 C ATOM 1477 C GLY A 98 -13.564 -5.504 1.781 1.00 0.00 C ATOM 1478 O GLY A 98 -12.822 -6.027 0.950 1.00 0.00 O ATOM 0 H GLY A 98 -14.741 -7.169 0.233 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -15.566 -4.894 1.342 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -15.417 -5.891 2.776 1.00 0.00 H new ATOM 1482 N GLN A 99 -13.122 -4.692 2.737 1.00 0.00 N ATOM 1483 CA GLN A 99 -11.708 -4.361 2.865 1.00 0.00 C ATOM 1484 C GLN A 99 -11.040 -5.228 3.927 1.00 0.00 C ATOM 1485 O GLN A 99 -11.180 -4.978 5.124 1.00 0.00 O ATOM 1486 CB GLN A 99 -11.538 -2.882 3.215 1.00 0.00 C ATOM 1487 CG GLN A 99 -10.103 -2.393 3.110 1.00 0.00 C ATOM 1488 CD GLN A 99 -10.012 -0.927 2.733 1.00 0.00 C ATOM 1489 OE1 GLN A 99 -9.550 -0.581 1.646 1.00 0.00 O ATOM 1490 NE2 GLN A 99 -10.456 -0.056 3.632 1.00 0.00 N ATOM 0 H GLN A 99 -13.723 -4.252 3.434 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.227 -4.557 1.907 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -12.166 -2.286 2.552 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -11.897 -2.714 4.230 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -9.599 -2.551 4.063 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -9.574 -2.989 2.367 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -10.831 -0.387 4.521 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -10.422 0.944 3.434 1.00 0.00 H new ATOM 1499 N GLY A 100 -10.315 -6.249 3.481 1.00 0.00 N ATOM 1500 CA GLY A 100 -9.637 -7.138 4.407 1.00 0.00 C ATOM 1501 C GLY A 100 -8.748 -6.391 5.381 1.00 0.00 C ATOM 1502 O GLY A 100 -8.642 -5.166 5.322 1.00 0.00 O ATOM 0 H GLY A 100 -10.185 -6.477 2.495 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.378 -7.712 4.963 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.035 -7.853 3.845 1.00 0.00 H new ATOM 1506 N ASP A 101 -8.110 -7.129 6.282 1.00 0.00 N ATOM 1507 CA ASP A 101 -7.226 -6.529 7.276 1.00 0.00 C ATOM 1508 C ASP A 101 -6.205 -5.612 6.611 1.00 0.00 C ATOM 1509 O ASP A 101 -5.729 -5.891 5.510 1.00 0.00 O ATOM 1510 CB ASP A 101 -6.508 -7.619 8.074 1.00 0.00 C ATOM 1511 CG ASP A 101 -7.431 -8.327 9.046 1.00 0.00 C ATOM 1512 OD1 ASP A 101 -8.040 -7.641 9.893 1.00 0.00 O ATOM 1513 OD2 ASP A 101 -7.544 -9.568 8.960 1.00 0.00 O ATOM 0 H ASP A 101 -8.188 -8.144 6.345 1.00 0.00 H new ATOM 0 HA ASP A 101 -7.835 -5.933 7.956 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.082 -8.348 7.385 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -5.677 -7.176 8.623 1.00 0.00 H new ATOM 1518 N TYR A 102 -5.872 -4.517 7.285 1.00 0.00 N ATOM 1519 CA TYR A 102 -4.911 -3.557 6.759 1.00 0.00 C ATOM 1520 C TYR A 102 -3.493 -4.118 6.815 1.00 0.00 C ATOM 1521 O TYR A 102 -3.152 -4.882 7.719 1.00 0.00 O ATOM 1522 CB TYR A 102 -4.983 -2.247 7.543 1.00 0.00 C ATOM 1523 CG TYR A 102 -6.043 -1.294 7.035 1.00 0.00 C ATOM 1524 CD1 TYR A 102 -5.871 -0.604 5.842 1.00 0.00 C ATOM 1525 CD2 TYR A 102 -7.218 -1.086 7.749 1.00 0.00 C ATOM 1526 CE1 TYR A 102 -6.835 0.267 5.374 1.00 0.00 C ATOM 1527 CE2 TYR A 102 -8.189 -0.219 7.288 1.00 0.00 C ATOM 1528 CZ TYR A 102 -7.992 0.456 6.101 1.00 0.00 C ATOM 1529 OH TYR A 102 -8.957 1.322 5.638 1.00 0.00 O ATOM 0 H TYR A 102 -6.255 -4.272 8.198 1.00 0.00 H new ATOM 0 HA TYR A 102 -5.165 -3.363 5.717 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -5.180 -2.471 8.591 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.012 -1.754 7.500 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.967 -0.751 5.270 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -7.374 -1.611 8.680 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -6.684 0.797 4.445 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -9.097 -0.070 7.853 1.00 0.00 H new ATOM 0 HH TYR A 102 -8.602 2.235 5.633 1.00 0.00 H new ATOM 1539 N SER A 103 -2.671 -3.734 5.844 1.00 0.00 N ATOM 1540 CA SER A 103 -1.291 -4.200 5.782 1.00 0.00 C ATOM 1541 C SER A 103 -0.436 -3.513 6.842 1.00 0.00 C ATOM 1542 O SER A 103 -0.794 -2.451 7.352 1.00 0.00 O ATOM 1543 CB SER A 103 -0.706 -3.940 4.392 1.00 0.00 C ATOM 1544 OG SER A 103 -0.712 -2.557 4.086 1.00 0.00 O ATOM 0 H SER A 103 -2.937 -3.101 5.089 1.00 0.00 H new ATOM 0 HA SER A 103 -1.287 -5.272 5.977 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.314 -4.321 4.346 1.00 0.00 H new ATOM 0 HB3 SER A 103 -1.283 -4.484 3.644 1.00 0.00 H new ATOM 0 HG SER A 103 -1.628 -2.269 3.891 1.00 0.00 H new ATOM 1550 N LYS A 104 0.696 -4.126 7.169 1.00 0.00 N ATOM 1551 CA LYS A 104 1.605 -3.576 8.167 1.00 0.00 C ATOM 1552 C LYS A 104 1.694 -2.058 8.043 1.00 0.00 C ATOM 1553 O LYS A 104 2.201 -1.537 7.050 1.00 0.00 O ATOM 1554 CB LYS A 104 2.996 -4.194 8.016 1.00 0.00 C ATOM 1555 CG LYS A 104 4.060 -3.512 8.859 1.00 0.00 C ATOM 1556 CD LYS A 104 4.101 -4.078 10.269 1.00 0.00 C ATOM 1557 CE LYS A 104 3.167 -3.321 11.201 1.00 0.00 C ATOM 1558 NZ LYS A 104 3.851 -2.173 11.861 1.00 0.00 N ATOM 0 H LYS A 104 1.006 -5.006 6.756 1.00 0.00 H new ATOM 0 HA LYS A 104 1.212 -3.820 9.154 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.948 -5.248 8.290 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.292 -4.150 6.968 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.035 -3.637 8.387 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.861 -2.441 8.901 1.00 0.00 H new ATOM 0 HD2 LYS A 104 3.821 -5.131 10.248 1.00 0.00 H new ATOM 0 HD3 LYS A 104 5.120 -4.027 10.653 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.308 -2.957 10.637 1.00 0.00 H new ATOM 0 HE3 LYS A 104 2.783 -4.001 11.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.181 -1.683 12.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.655 -2.523 12.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.195 -1.511 11.137 1.00 0.00 H new ATOM 1572 N ILE A 105 1.201 -1.356 9.058 1.00 0.00 N ATOM 1573 CA ILE A 105 1.228 0.101 9.062 1.00 0.00 C ATOM 1574 C ILE A 105 2.590 0.627 8.619 1.00 0.00 C ATOM 1575 O ILE A 105 3.625 0.201 9.129 1.00 0.00 O ATOM 1576 CB ILE A 105 0.902 0.666 10.457 1.00 0.00 C ATOM 1577 CG1 ILE A 105 -0.516 0.270 10.873 1.00 0.00 C ATOM 1578 CG2 ILE A 105 1.059 2.179 10.466 1.00 0.00 C ATOM 1579 CD1 ILE A 105 -1.593 0.867 9.994 1.00 0.00 C ATOM 0 H ILE A 105 0.778 -1.773 9.888 1.00 0.00 H new ATOM 0 HA ILE A 105 0.466 0.433 8.357 1.00 0.00 H new ATOM 0 HB ILE A 105 1.603 0.243 11.177 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.602 -0.816 10.852 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.684 0.583 11.903 1.00 0.00 H new ATOM 0 HG21 ILE A 105 0.825 2.563 11.459 1.00 0.00 H new ATOM 0 HG22 ILE A 105 2.086 2.440 10.209 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.379 2.620 9.737 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -2.572 0.544 10.348 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -1.534 1.955 10.034 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.450 0.533 8.966 1.00 0.00 H new ATOM 1591 N GLU A 106 2.579 1.554 7.668 1.00 0.00 N ATOM 1592 CA GLU A 106 3.813 2.139 7.157 1.00 0.00 C ATOM 1593 C GLU A 106 3.947 3.595 7.593 1.00 0.00 C ATOM 1594 O GLU A 106 2.958 4.325 7.670 1.00 0.00 O ATOM 1595 CB GLU A 106 3.854 2.047 5.630 1.00 0.00 C ATOM 1596 CG GLU A 106 3.954 0.623 5.108 1.00 0.00 C ATOM 1597 CD GLU A 106 5.355 0.055 5.231 1.00 0.00 C ATOM 1598 OE1 GLU A 106 6.322 0.842 5.166 1.00 0.00 O ATOM 1599 OE2 GLU A 106 5.484 -1.177 5.393 1.00 0.00 O ATOM 0 H GLU A 106 1.729 1.917 7.235 1.00 0.00 H new ATOM 0 HA GLU A 106 4.649 1.575 7.570 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.957 2.512 5.222 1.00 0.00 H new ATOM 0 HB3 GLU A 106 4.705 2.620 5.263 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.259 -0.011 5.658 1.00 0.00 H new ATOM 0 HG3 GLU A 106 3.647 0.601 4.062 1.00 0.00 H new ATOM 1606 N ILE A 107 5.177 4.010 7.878 1.00 0.00 N ATOM 1607 CA ILE A 107 5.441 5.379 8.306 1.00 0.00 C ATOM 1608 C ILE A 107 6.536 6.018 7.459 1.00 0.00 C ATOM 1609 O ILE A 107 7.695 5.607 7.510 1.00 0.00 O ATOM 1610 CB ILE A 107 5.855 5.435 9.788 1.00 0.00 C ATOM 1611 CG1 ILE A 107 4.818 4.722 10.658 1.00 0.00 C ATOM 1612 CG2 ILE A 107 6.028 6.878 10.236 1.00 0.00 C ATOM 1613 CD1 ILE A 107 5.336 4.342 12.027 1.00 0.00 C ATOM 0 H ILE A 107 6.006 3.418 7.820 1.00 0.00 H new ATOM 0 HA ILE A 107 4.513 5.935 8.175 1.00 0.00 H new ATOM 0 HB ILE A 107 6.810 4.923 9.902 1.00 0.00 H new ATOM 0 HG12 ILE A 107 3.948 5.368 10.774 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.481 3.822 10.143 1.00 0.00 H new ATOM 0 HG21 ILE A 107 6.321 6.900 11.286 1.00 0.00 H new ATOM 0 HG22 ILE A 107 6.801 7.356 9.634 1.00 0.00 H new ATOM 0 HG23 ILE A 107 5.087 7.413 10.110 1.00 0.00 H new ATOM 0 HD11 ILE A 107 4.547 3.841 12.588 1.00 0.00 H new ATOM 0 HD12 ILE A 107 6.188 3.671 11.920 1.00 0.00 H new ATOM 0 HD13 ILE A 107 5.646 5.240 12.561 1.00 0.00 H new ATOM 1625 N PHE A 108 6.160 7.027 6.681 1.00 0.00 N ATOM 1626 CA PHE A 108 7.110 7.726 5.823 1.00 0.00 C ATOM 1627 C PHE A 108 7.166 9.211 6.168 1.00 0.00 C ATOM 1628 O PHE A 108 6.142 9.828 6.464 1.00 0.00 O ATOM 1629 CB PHE A 108 6.728 7.547 4.352 1.00 0.00 C ATOM 1630 CG PHE A 108 5.446 8.233 3.978 1.00 0.00 C ATOM 1631 CD1 PHE A 108 5.361 9.617 3.970 1.00 0.00 C ATOM 1632 CD2 PHE A 108 4.324 7.496 3.633 1.00 0.00 C ATOM 1633 CE1 PHE A 108 4.182 10.251 3.625 1.00 0.00 C ATOM 1634 CE2 PHE A 108 3.144 8.124 3.288 1.00 0.00 C ATOM 1635 CZ PHE A 108 3.072 9.504 3.285 1.00 0.00 C ATOM 0 H PHE A 108 5.204 7.379 6.627 1.00 0.00 H new ATOM 0 HA PHE A 108 8.097 7.295 5.991 1.00 0.00 H new ATOM 0 HB2 PHE A 108 7.533 7.933 3.726 1.00 0.00 H new ATOM 0 HB3 PHE A 108 6.638 6.483 4.135 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.226 10.206 4.236 1.00 0.00 H new ATOM 0 HD2 PHE A 108 4.373 6.417 3.634 1.00 0.00 H new ATOM 0 HE1 PHE A 108 4.129 11.330 3.621 1.00 0.00 H new ATOM 0 HE2 PHE A 108 2.278 7.537 3.021 1.00 0.00 H new ATOM 0 HZ PHE A 108 2.149 9.997 3.017 1.00 0.00 H new ATOM 1645 N GLN A 109 8.367 9.778 6.128 1.00 0.00 N ATOM 1646 CA GLN A 109 8.556 11.190 6.438 1.00 0.00 C ATOM 1647 C GLN A 109 9.055 11.954 5.216 1.00 0.00 C ATOM 1648 O GLN A 109 10.150 11.698 4.714 1.00 0.00 O ATOM 1649 CB GLN A 109 9.546 11.352 7.593 1.00 0.00 C ATOM 1650 CG GLN A 109 9.949 12.795 7.852 1.00 0.00 C ATOM 1651 CD GLN A 109 11.091 12.914 8.840 1.00 0.00 C ATOM 1652 OE1 GLN A 109 12.221 12.515 8.554 1.00 0.00 O ATOM 1653 NE2 GLN A 109 10.804 13.464 10.014 1.00 0.00 N ATOM 0 H GLN A 109 9.224 9.281 5.884 1.00 0.00 H new ATOM 0 HA GLN A 109 7.592 11.603 6.734 1.00 0.00 H new ATOM 0 HB2 GLN A 109 9.104 10.939 8.500 1.00 0.00 H new ATOM 0 HB3 GLN A 109 10.440 10.767 7.379 1.00 0.00 H new ATOM 0 HG2 GLN A 109 10.238 13.262 6.910 1.00 0.00 H new ATOM 0 HG3 GLN A 109 9.088 13.346 8.230 1.00 0.00 H new ATOM 0 HE21 GLN A 109 9.855 13.781 10.210 1.00 0.00 H new ATOM 0 HE22 GLN A 109 11.533 13.569 10.720 1.00 0.00 H new ATOM 1662 N THR A 110 8.242 12.892 4.738 1.00 0.00 N ATOM 1663 CA THR A 110 8.600 13.692 3.574 1.00 0.00 C ATOM 1664 C THR A 110 9.965 14.346 3.754 1.00 0.00 C ATOM 1665 O THR A 110 10.481 14.433 4.869 1.00 0.00 O ATOM 1666 CB THR A 110 7.551 14.787 3.302 1.00 0.00 C ATOM 1667 OG1 THR A 110 7.472 15.679 4.418 1.00 0.00 O ATOM 1668 CG2 THR A 110 6.184 14.172 3.039 1.00 0.00 C ATOM 0 H THR A 110 7.331 13.116 5.140 1.00 0.00 H new ATOM 0 HA THR A 110 8.636 13.013 2.722 1.00 0.00 H new ATOM 0 HB THR A 110 7.859 15.343 2.416 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.634 16.186 4.373 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.459 14.964 2.850 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.241 13.517 2.170 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.871 13.595 3.909 1.00 0.00 H new ATOM 1676 N LEU A 111 10.546 14.805 2.651 1.00 0.00 N ATOM 1677 CA LEU A 111 11.852 15.453 2.687 1.00 0.00 C ATOM 1678 C LEU A 111 11.715 16.936 3.013 1.00 0.00 C ATOM 1679 O LEU A 111 10.771 17.605 2.593 1.00 0.00 O ATOM 1680 CB LEU A 111 12.568 15.278 1.346 1.00 0.00 C ATOM 1681 CG LEU A 111 12.880 13.838 0.936 1.00 0.00 C ATOM 1682 CD1 LEU A 111 13.122 13.751 -0.563 1.00 0.00 C ATOM 1683 CD2 LEU A 111 14.085 13.314 1.703 1.00 0.00 C ATOM 0 H LEU A 111 10.133 14.740 1.721 1.00 0.00 H new ATOM 0 HA LEU A 111 12.443 14.980 3.472 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.955 15.732 0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 111 13.504 15.836 1.381 1.00 0.00 H new ATOM 0 HG LEU A 111 12.019 13.216 1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 111 13.343 12.719 -0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 111 12.231 14.085 -1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 111 13.966 14.386 -0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 111 14.292 12.288 1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 111 14.952 13.938 1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.875 13.339 2.772 1.00 0.00 H new ATOM 1695 N PRO A 112 12.682 17.466 3.779 1.00 0.00 N ATOM 1696 CA PRO A 112 12.693 18.877 4.175 1.00 0.00 C ATOM 1697 C PRO A 112 12.978 19.807 3.001 1.00 0.00 C ATOM 1698 O PRO A 112 14.043 19.740 2.387 1.00 0.00 O ATOM 1699 CB PRO A 112 13.827 18.948 5.201 1.00 0.00 C ATOM 1700 CG PRO A 112 14.729 17.815 4.848 1.00 0.00 C ATOM 1701 CD PRO A 112 13.838 16.728 4.315 1.00 0.00 C ATOM 0 HA PRO A 112 11.727 19.199 4.564 1.00 0.00 H new ATOM 0 HB2 PRO A 112 14.351 19.902 5.147 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.447 18.850 6.218 1.00 0.00 H new ATOM 0 HG2 PRO A 112 15.463 18.119 4.102 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.284 17.472 5.721 1.00 0.00 H new ATOM 0 HD2 PRO A 112 14.336 16.144 3.541 1.00 0.00 H new ATOM 0 HD3 PRO A 112 13.541 16.031 5.099 1.00 0.00 H new ATOM 1709 N VAL A 113 12.020 20.676 2.694 1.00 0.00 N ATOM 1710 CA VAL A 113 12.169 21.622 1.594 1.00 0.00 C ATOM 1711 C VAL A 113 13.612 22.096 1.469 1.00 0.00 C ATOM 1712 O VAL A 113 14.070 22.936 2.244 1.00 0.00 O ATOM 1713 CB VAL A 113 11.252 22.845 1.778 1.00 0.00 C ATOM 1714 CG1 VAL A 113 11.256 23.709 0.526 1.00 0.00 C ATOM 1715 CG2 VAL A 113 9.838 22.403 2.126 1.00 0.00 C ATOM 0 H VAL A 113 11.132 20.745 3.192 1.00 0.00 H new ATOM 0 HA VAL A 113 11.882 21.096 0.683 1.00 0.00 H new ATOM 0 HB VAL A 113 11.635 23.443 2.605 1.00 0.00 H new ATOM 0 HG11 VAL A 113 10.602 24.568 0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 113 12.270 24.055 0.326 1.00 0.00 H new ATOM 0 HG13 VAL A 113 10.898 23.124 -0.321 1.00 0.00 H new ATOM 0 HG21 VAL A 113 9.203 23.280 2.253 1.00 0.00 H new ATOM 0 HG22 VAL A 113 9.443 21.782 1.322 1.00 0.00 H new ATOM 0 HG23 VAL A 113 9.854 21.830 3.053 1.00 0.00 H new