USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 765 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 76 GLN :FLIP amide:sc= -2.14 F(o=-6.4!,f=-4.9) USER MOD Set 1.2: A 79 GLN : amide:sc= -2.81 K(o=-4.9,f=-8.9!) USER MOD Set 2.1: A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 78 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 23 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Set 3.2: A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot -54:sc= 0.0943 USER MOD Single : A 26 SER OG : rot 21:sc= 1.17 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 32 SER OG : rot -128:sc= 0.269 USER MOD Single : A 33 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00395) USER MOD Single : A 34 SER OG : rot 180:sc= -1.25 USER MOD Single : A 38 HIS : no HE2:sc= -0.481 K(o=-0.48,f=-1.6) USER MOD Single : A 40 GLN : amide:sc= -1.18 K(o=-1.2,f=-2.3!) USER MOD Single : A 46 THR OG1 : rot -40:sc= 0.23 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 48 ASN : amide:sc= -1.68 K(o=-1.7,f=-3.7!) USER MOD Single : A 50 GLN : amide:sc= -0.0938 K(o=-0.094,f=-1.4!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc=-0.00583 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -140:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -20:sc= 0.742! USER MOD Single : A 88 THR OG1 : rot 69:sc= 0.766 USER MOD Single : A 90 TYR OH : rot 30:sc= -0.0718 USER MOD Single : A 91 ASN :FLIP amide:sc= -1.66 F(o=-2.7,f=-1.7) USER MOD Single : A 98 THR OG1 : rot 132:sc= -0.84 USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 90:sc= 0.326 USER MOD Single : A 110 SER OG : rot 180:sc=-0.000245 USER MOD Single : A 113 THR OG1 : rot 177:sc= 0.717 USER MOD Single : A 116 SER OG : rot 13:sc= 0.00911 USER MOD ----------------------------------------------------------------- ATOM 200 N VAL A 17 -3.697 12.802 -3.777 1.00 0.00 N ATOM 201 CA VAL A 17 -3.356 11.386 -3.710 1.00 0.00 C ATOM 202 C VAL A 17 -2.750 10.904 -5.024 1.00 0.00 C ATOM 203 O VAL A 17 -3.040 11.428 -6.099 1.00 0.00 O ATOM 204 CB VAL A 17 -4.590 10.525 -3.381 1.00 0.00 C ATOM 205 CG1 VAL A 17 -5.004 10.717 -1.930 1.00 0.00 C ATOM 206 CG2 VAL A 17 -5.739 10.862 -4.320 1.00 0.00 C ATOM 0 HA VAL A 17 -2.622 11.275 -2.912 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.329 9.476 -3.524 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.877 10.101 -1.716 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.183 10.423 -1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.248 11.765 -1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.603 10.245 -4.074 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.002 11.914 -4.211 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.436 10.669 -5.349 1.00 0.00 H new ATOM 216 N PRO A 18 -1.888 9.880 -4.937 1.00 0.00 N ATOM 217 CA PRO A 18 -1.223 9.304 -6.110 1.00 0.00 C ATOM 218 C PRO A 18 -2.191 8.541 -7.008 1.00 0.00 C ATOM 219 O PRO A 18 -3.213 8.034 -6.546 1.00 0.00 O ATOM 220 CB PRO A 18 -0.193 8.349 -5.500 1.00 0.00 C ATOM 221 CG PRO A 18 -0.752 7.990 -4.167 1.00 0.00 C ATOM 222 CD PRO A 18 -1.495 9.206 -3.688 1.00 0.00 C ATOM 0 HA PRO A 18 -0.787 10.071 -6.750 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.055 7.465 -6.123 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.782 8.827 -5.405 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.418 7.130 -4.242 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.042 7.719 -3.471 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.363 8.936 -3.087 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.865 9.844 -3.068 1.00 0.00 H new ATOM 230 N SER A 19 -1.861 8.462 -8.293 1.00 0.00 N ATOM 231 CA SER A 19 -2.703 7.763 -9.257 1.00 0.00 C ATOM 232 C SER A 19 -1.893 6.735 -10.041 1.00 0.00 C ATOM 233 O SER A 19 -2.129 6.518 -11.229 1.00 0.00 O ATOM 234 CB SER A 19 -3.350 8.761 -10.219 1.00 0.00 C ATOM 235 OG SER A 19 -4.468 8.187 -10.874 1.00 0.00 O ATOM 0 H SER A 19 -1.017 8.873 -8.691 1.00 0.00 H new ATOM 0 HA SER A 19 -3.485 7.240 -8.707 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.663 9.649 -9.670 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.618 9.085 -10.959 1.00 0.00 H new ATOM 0 HG SER A 19 -4.200 7.349 -11.305 1.00 0.00 H new ATOM 241 N ALA A 20 -0.938 6.104 -9.366 1.00 0.00 N ATOM 242 CA ALA A 20 -0.094 5.097 -9.997 1.00 0.00 C ATOM 243 C ALA A 20 -0.338 3.719 -9.393 1.00 0.00 C ATOM 244 O ALA A 20 -0.235 3.535 -8.181 1.00 0.00 O ATOM 245 CB ALA A 20 1.373 5.480 -9.866 1.00 0.00 C ATOM 0 H ALA A 20 -0.729 6.272 -8.382 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.354 5.053 -11.055 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.992 4.719 -10.342 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.543 6.441 -10.351 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.637 5.555 -8.811 1.00 0.00 H new ATOM 251 N ALA A 21 -0.663 2.753 -10.246 1.00 0.00 N ATOM 252 CA ALA A 21 -0.921 1.391 -9.796 1.00 0.00 C ATOM 253 C ALA A 21 0.270 0.483 -10.082 1.00 0.00 C ATOM 254 O ALA A 21 1.017 0.682 -11.040 1.00 0.00 O ATOM 255 CB ALA A 21 -2.175 0.844 -10.462 1.00 0.00 C ATOM 0 H ALA A 21 -0.754 2.889 -11.253 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.076 1.415 -8.717 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.356 -0.174 -10.117 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.028 1.472 -10.203 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.041 0.842 -11.544 1.00 0.00 H new ATOM 261 N PRO A 22 0.455 -0.537 -9.232 1.00 0.00 N ATOM 262 CA PRO A 22 1.555 -1.496 -9.372 1.00 0.00 C ATOM 263 C PRO A 22 1.379 -2.407 -10.582 1.00 0.00 C ATOM 264 O PRO A 22 0.288 -2.921 -10.829 1.00 0.00 O ATOM 265 CB PRO A 22 1.487 -2.308 -8.077 1.00 0.00 C ATOM 266 CG PRO A 22 0.068 -2.199 -7.636 1.00 0.00 C ATOM 267 CD PRO A 22 -0.396 -0.835 -8.068 1.00 0.00 C ATOM 0 HA PRO A 22 2.512 -0.998 -9.528 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.770 -3.347 -8.246 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.167 -1.910 -7.324 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -0.542 -2.980 -8.089 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -0.015 -2.315 -6.555 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.453 -0.836 -8.333 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.266 -0.097 -7.276 1.00 0.00 H new ATOM 275 N GLN A 23 2.459 -2.603 -11.332 1.00 0.00 N ATOM 276 CA GLN A 23 2.422 -3.453 -12.516 1.00 0.00 C ATOM 277 C GLN A 23 3.048 -4.814 -12.230 1.00 0.00 C ATOM 278 O GLN A 23 3.572 -5.049 -11.142 1.00 0.00 O ATOM 279 CB GLN A 23 3.151 -2.777 -13.678 1.00 0.00 C ATOM 280 CG GLN A 23 4.369 -1.976 -13.248 1.00 0.00 C ATOM 281 CD GLN A 23 5.205 -1.507 -14.423 1.00 0.00 C ATOM 282 OE1 GLN A 23 5.664 -2.312 -15.234 1.00 0.00 O ATOM 283 NE2 GLN A 23 5.406 -0.198 -14.522 1.00 0.00 N ATOM 0 H GLN A 23 3.370 -2.185 -11.141 1.00 0.00 H new ATOM 0 HA GLN A 23 1.378 -3.605 -12.790 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.461 -3.538 -14.394 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.456 -2.116 -14.197 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.044 -1.111 -12.670 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.986 -2.586 -12.589 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.007 0.433 -13.827 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.960 0.176 -15.293 1.00 0.00 H new ATOM 292 N ASN A 24 2.989 -5.705 -13.213 1.00 0.00 N ATOM 293 CA ASN A 24 3.550 -7.044 -13.066 1.00 0.00 C ATOM 294 C ASN A 24 2.904 -7.779 -11.896 1.00 0.00 C ATOM 295 O ASN A 24 3.586 -8.437 -11.109 1.00 0.00 O ATOM 296 CB ASN A 24 5.064 -6.965 -12.860 1.00 0.00 C ATOM 297 CG ASN A 24 5.828 -6.987 -14.170 1.00 0.00 C ATOM 298 OD1 ASN A 24 6.309 -8.034 -14.603 1.00 0.00 O ATOM 299 ND2 ASN A 24 5.943 -5.828 -14.807 1.00 0.00 N ATOM 0 H ASN A 24 2.559 -5.525 -14.120 1.00 0.00 H new ATOM 0 HA ASN A 24 3.343 -7.600 -13.980 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.307 -6.052 -12.316 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.388 -7.801 -12.240 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.446 -5.781 -15.693 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.528 -4.985 -14.411 1.00 0.00 H new ATOM 306 N LEU A 25 1.585 -7.663 -11.787 1.00 0.00 N ATOM 307 CA LEU A 25 0.846 -8.317 -10.713 1.00 0.00 C ATOM 308 C LEU A 25 0.761 -9.821 -10.948 1.00 0.00 C ATOM 309 O LEU A 25 0.685 -10.278 -12.089 1.00 0.00 O ATOM 310 CB LEU A 25 -0.561 -7.726 -10.604 1.00 0.00 C ATOM 311 CG LEU A 25 -1.450 -8.310 -9.505 1.00 0.00 C ATOM 312 CD1 LEU A 25 -0.813 -8.106 -8.139 1.00 0.00 C ATOM 313 CD2 LEU A 25 -2.835 -7.681 -9.548 1.00 0.00 C ATOM 0 H LEU A 25 1.006 -7.122 -12.429 1.00 0.00 H new ATOM 0 HA LEU A 25 1.380 -8.144 -9.779 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.471 -6.652 -10.439 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.065 -7.860 -11.561 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.554 -9.381 -9.679 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.460 -8.528 -7.369 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.156 -8.604 -8.112 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.679 -7.040 -7.956 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.454 -8.109 -8.759 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.750 -6.604 -9.399 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.294 -7.879 -10.516 1.00 0.00 H new ATOM 325 N SER A 26 0.774 -10.586 -9.861 1.00 0.00 N ATOM 326 CA SER A 26 0.700 -12.040 -9.949 1.00 0.00 C ATOM 327 C SER A 26 0.345 -12.649 -8.595 1.00 0.00 C ATOM 328 O SER A 26 0.476 -12.000 -7.556 1.00 0.00 O ATOM 329 CB SER A 26 2.031 -12.610 -10.444 1.00 0.00 C ATOM 330 OG SER A 26 2.134 -12.514 -11.854 1.00 0.00 O ATOM 0 H SER A 26 0.835 -10.223 -8.910 1.00 0.00 H new ATOM 0 HA SER A 26 -0.085 -12.297 -10.661 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.856 -12.071 -9.978 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.119 -13.653 -10.140 1.00 0.00 H new ATOM 0 HG SER A 26 1.521 -11.823 -12.180 1.00 0.00 H new ATOM 336 N LEU A 27 -0.104 -13.899 -8.616 1.00 0.00 N ATOM 337 CA LEU A 27 -0.479 -14.597 -7.391 1.00 0.00 C ATOM 338 C LEU A 27 0.085 -16.014 -7.378 1.00 0.00 C ATOM 339 O LEU A 27 -0.433 -16.904 -8.051 1.00 0.00 O ATOM 340 CB LEU A 27 -2.001 -14.640 -7.250 1.00 0.00 C ATOM 341 CG LEU A 27 -2.743 -13.347 -7.588 1.00 0.00 C ATOM 342 CD1 LEU A 27 -4.214 -13.629 -7.851 1.00 0.00 C ATOM 343 CD2 LEU A 27 -2.586 -12.332 -6.465 1.00 0.00 C ATOM 0 H LEU A 27 -0.217 -14.450 -9.467 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.058 -14.050 -6.547 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.383 -15.433 -7.893 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.243 -14.917 -6.224 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.306 -12.927 -8.494 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.726 -12.697 -8.090 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.308 -14.320 -8.689 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.664 -14.073 -6.963 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.121 -11.418 -6.723 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.996 -12.744 -5.543 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.529 -12.106 -6.324 1.00 0.00 H new ATOM 355 N GLU A 28 1.148 -16.216 -6.606 1.00 0.00 N ATOM 356 CA GLU A 28 1.781 -17.525 -6.504 1.00 0.00 C ATOM 357 C GLU A 28 1.074 -18.392 -5.467 1.00 0.00 C ATOM 358 O GLU A 28 1.389 -18.339 -4.278 1.00 0.00 O ATOM 359 CB GLU A 28 3.259 -17.376 -6.138 1.00 0.00 C ATOM 360 CG GLU A 28 4.038 -18.679 -6.205 1.00 0.00 C ATOM 361 CD GLU A 28 4.369 -19.089 -7.627 1.00 0.00 C ATOM 362 OE1 GLU A 28 4.969 -18.272 -8.356 1.00 0.00 O ATOM 363 OE2 GLU A 28 4.028 -20.227 -8.010 1.00 0.00 O ATOM 0 H GLU A 28 1.589 -15.489 -6.042 1.00 0.00 H new ATOM 0 HA GLU A 28 1.703 -18.014 -7.475 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.720 -16.652 -6.810 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.336 -16.968 -5.130 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.962 -18.575 -5.637 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.458 -19.469 -5.729 1.00 0.00 H new ATOM 370 N VAL A 29 0.115 -19.191 -5.925 1.00 0.00 N ATOM 371 CA VAL A 29 -0.637 -20.070 -5.038 1.00 0.00 C ATOM 372 C VAL A 29 0.289 -21.029 -4.300 1.00 0.00 C ATOM 373 O VAL A 29 0.634 -22.094 -4.813 1.00 0.00 O ATOM 374 CB VAL A 29 -1.689 -20.884 -5.814 1.00 0.00 C ATOM 375 CG1 VAL A 29 -2.410 -21.849 -4.885 1.00 0.00 C ATOM 376 CG2 VAL A 29 -2.677 -19.957 -6.505 1.00 0.00 C ATOM 0 H VAL A 29 -0.159 -19.247 -6.906 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.144 -19.431 -4.315 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.178 -21.468 -6.580 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.149 -22.415 -5.451 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.688 -22.536 -4.442 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.910 -21.289 -4.095 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.413 -20.550 -7.048 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.184 -19.344 -5.759 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.144 -19.312 -7.203 1.00 0.00 H new ATOM 386 N ARG A 30 0.689 -20.645 -3.092 1.00 0.00 N ATOM 387 CA ARG A 30 1.577 -21.471 -2.282 1.00 0.00 C ATOM 388 C ARG A 30 0.854 -22.719 -1.785 1.00 0.00 C ATOM 389 O ARG A 30 1.412 -23.816 -1.791 1.00 0.00 O ATOM 390 CB ARG A 30 2.111 -20.670 -1.094 1.00 0.00 C ATOM 391 CG ARG A 30 2.914 -19.444 -1.497 1.00 0.00 C ATOM 392 CD ARG A 30 4.324 -19.817 -1.926 1.00 0.00 C ATOM 393 NE ARG A 30 5.166 -20.172 -0.786 1.00 0.00 N ATOM 394 CZ ARG A 30 6.315 -20.829 -0.898 1.00 0.00 C ATOM 395 NH1 ARG A 30 6.757 -21.201 -2.092 1.00 0.00 N ATOM 396 NH2 ARG A 30 7.026 -21.114 0.185 1.00 0.00 N ATOM 0 H ARG A 30 0.412 -19.767 -2.653 1.00 0.00 H new ATOM 0 HA ARG A 30 2.414 -21.782 -2.907 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.273 -20.356 -0.472 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.737 -21.319 -0.481 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.408 -18.929 -2.314 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.960 -18.747 -0.660 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.282 -20.656 -2.621 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.773 -18.981 -2.462 1.00 0.00 H new ATOM 0 HE ARG A 30 4.855 -19.901 0.147 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.214 -20.983 -2.928 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.640 -21.705 -2.175 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.691 -20.829 1.105 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.908 -21.619 0.098 1.00 0.00 H new ATOM 410 N ASN A 31 -0.391 -22.544 -1.353 1.00 0.00 N ATOM 411 CA ASN A 31 -1.189 -23.656 -0.851 1.00 0.00 C ATOM 412 C ASN A 31 -2.663 -23.468 -1.199 1.00 0.00 C ATOM 413 O ASN A 31 -3.101 -22.362 -1.514 1.00 0.00 O ATOM 414 CB ASN A 31 -1.024 -23.786 0.665 1.00 0.00 C ATOM 415 CG ASN A 31 0.139 -24.681 1.045 1.00 0.00 C ATOM 416 OD1 ASN A 31 0.203 -25.841 0.637 1.00 0.00 O ATOM 417 ND2 ASN A 31 1.066 -24.145 1.830 1.00 0.00 N ATOM 0 H ASN A 31 -0.869 -21.643 -1.341 1.00 0.00 H new ATOM 0 HA ASN A 31 -0.835 -24.570 -1.328 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -0.874 -22.797 1.098 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -1.942 -24.186 1.095 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.872 -24.699 2.119 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.972 -23.179 2.144 1.00 0.00 H new ATOM 424 N SER A 32 -3.423 -24.557 -1.138 1.00 0.00 N ATOM 425 CA SER A 32 -4.847 -24.513 -1.450 1.00 0.00 C ATOM 426 C SER A 32 -5.589 -23.606 -0.473 1.00 0.00 C ATOM 427 O SER A 32 -6.736 -23.225 -0.710 1.00 0.00 O ATOM 428 CB SER A 32 -5.443 -25.922 -1.409 1.00 0.00 C ATOM 429 OG SER A 32 -4.861 -26.751 -2.400 1.00 0.00 O ATOM 0 H SER A 32 -3.077 -25.480 -0.876 1.00 0.00 H new ATOM 0 HA SER A 32 -4.962 -24.107 -2.455 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.282 -26.360 -0.424 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.521 -25.869 -1.562 1.00 0.00 H new ATOM 0 HG SER A 32 -5.569 -27.166 -2.936 1.00 0.00 H new ATOM 435 N LYS A 33 -4.927 -23.264 0.627 1.00 0.00 N ATOM 436 CA LYS A 33 -5.521 -22.401 1.641 1.00 0.00 C ATOM 437 C LYS A 33 -4.758 -21.084 1.749 1.00 0.00 C ATOM 438 O LYS A 33 -5.219 -20.140 2.390 1.00 0.00 O ATOM 439 CB LYS A 33 -5.534 -23.108 2.998 1.00 0.00 C ATOM 440 CG LYS A 33 -4.150 -23.318 3.588 1.00 0.00 C ATOM 441 CD LYS A 33 -3.730 -22.144 4.456 1.00 0.00 C ATOM 442 CE LYS A 33 -2.693 -22.558 5.489 1.00 0.00 C ATOM 443 NZ LYS A 33 -1.305 -22.411 4.971 1.00 0.00 N ATOM 0 H LYS A 33 -3.978 -23.572 0.839 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.546 -22.183 1.342 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.133 -22.524 3.697 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.024 -24.076 2.889 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.141 -24.232 4.182 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.427 -23.454 2.783 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.323 -21.352 3.827 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.604 -21.732 4.961 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.812 -21.951 6.386 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.864 -23.594 5.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.629 -22.719 5.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.188 -22.997 4.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.127 -21.414 4.733 1.00 0.00 H new ATOM 457 N SER A 34 -3.590 -21.028 1.117 1.00 0.00 N ATOM 458 CA SER A 34 -2.763 -19.828 1.145 1.00 0.00 C ATOM 459 C SER A 34 -2.405 -19.382 -0.270 1.00 0.00 C ATOM 460 O SER A 34 -2.094 -20.205 -1.132 1.00 0.00 O ATOM 461 CB SER A 34 -1.487 -20.081 1.950 1.00 0.00 C ATOM 462 OG SER A 34 -0.451 -20.578 1.121 1.00 0.00 O ATOM 0 H SER A 34 -3.195 -21.800 0.579 1.00 0.00 H new ATOM 0 HA SER A 34 -3.335 -19.033 1.624 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.164 -19.155 2.426 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.692 -20.794 2.748 1.00 0.00 H new ATOM 0 HG SER A 34 0.354 -20.730 1.659 1.00 0.00 H new ATOM 468 N ILE A 35 -2.452 -18.075 -0.501 1.00 0.00 N ATOM 469 CA ILE A 35 -2.132 -17.519 -1.810 1.00 0.00 C ATOM 470 C ILE A 35 -1.206 -16.313 -1.684 1.00 0.00 C ATOM 471 O ILE A 35 -1.587 -15.280 -1.134 1.00 0.00 O ATOM 472 CB ILE A 35 -3.404 -17.098 -2.569 1.00 0.00 C ATOM 473 CG1 ILE A 35 -4.228 -18.329 -2.951 1.00 0.00 C ATOM 474 CG2 ILE A 35 -3.040 -16.292 -3.807 1.00 0.00 C ATOM 475 CD1 ILE A 35 -5.638 -18.002 -3.388 1.00 0.00 C ATOM 0 H ILE A 35 -2.709 -17.381 0.201 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.627 -18.305 -2.372 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.008 -16.469 -1.915 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.721 -18.860 -3.757 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.269 -19.007 -2.099 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.950 -16.002 -4.333 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.491 -15.398 -3.511 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.418 -16.898 -4.466 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.163 -18.923 -3.643 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.163 -17.499 -2.576 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.606 -17.349 -4.260 1.00 0.00 H new ATOM 487 N MET A 36 0.011 -16.453 -2.198 1.00 0.00 N ATOM 488 CA MET A 36 0.990 -15.373 -2.146 1.00 0.00 C ATOM 489 C MET A 36 0.780 -14.393 -3.295 1.00 0.00 C ATOM 490 O MET A 36 0.451 -14.793 -4.412 1.00 0.00 O ATOM 491 CB MET A 36 2.410 -15.941 -2.198 1.00 0.00 C ATOM 492 CG MET A 36 3.480 -14.885 -2.421 1.00 0.00 C ATOM 493 SD MET A 36 3.604 -13.723 -1.047 1.00 0.00 S ATOM 494 CE MET A 36 5.140 -14.253 -0.294 1.00 0.00 C ATOM 0 H MET A 36 0.343 -17.302 -2.655 1.00 0.00 H new ATOM 0 HA MET A 36 0.854 -14.838 -1.206 1.00 0.00 H new ATOM 0 HB2 MET A 36 2.617 -16.465 -1.265 1.00 0.00 H new ATOM 0 HB3 MET A 36 2.468 -16.679 -2.998 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.443 -15.374 -2.567 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.259 -14.337 -3.337 1.00 0.00 H new ATOM 0 HE1 MET A 36 5.355 -13.628 0.573 1.00 0.00 H new ATOM 0 HE2 MET A 36 5.051 -15.293 0.021 1.00 0.00 H new ATOM 0 HE3 MET A 36 5.950 -14.161 -1.017 1.00 0.00 H new ATOM 504 N ILE A 37 0.973 -13.108 -3.014 1.00 0.00 N ATOM 505 CA ILE A 37 0.805 -12.072 -4.024 1.00 0.00 C ATOM 506 C ILE A 37 2.141 -11.430 -4.381 1.00 0.00 C ATOM 507 O ILE A 37 2.956 -11.139 -3.504 1.00 0.00 O ATOM 508 CB ILE A 37 -0.168 -10.976 -3.551 1.00 0.00 C ATOM 509 CG1 ILE A 37 -1.401 -11.605 -2.899 1.00 0.00 C ATOM 510 CG2 ILE A 37 -0.574 -10.088 -4.718 1.00 0.00 C ATOM 511 CD1 ILE A 37 -2.296 -10.603 -2.204 1.00 0.00 C ATOM 0 H ILE A 37 1.246 -12.760 -2.095 1.00 0.00 H new ATOM 0 HA ILE A 37 0.390 -12.558 -4.907 1.00 0.00 H new ATOM 0 HB ILE A 37 0.337 -10.358 -2.809 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.978 -12.128 -3.662 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.077 -12.353 -2.176 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.262 -9.318 -4.368 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.313 -9.617 -5.142 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.064 -10.692 -5.482 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.149 -11.120 -1.765 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.735 -10.098 -1.418 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.650 -9.868 -2.927 1.00 0.00 H new ATOM 523 N HIS A 38 2.360 -11.209 -5.673 1.00 0.00 N ATOM 524 CA HIS A 38 3.597 -10.599 -6.146 1.00 0.00 C ATOM 525 C HIS A 38 3.304 -9.427 -7.078 1.00 0.00 C ATOM 526 O HIS A 38 2.708 -9.602 -8.141 1.00 0.00 O ATOM 527 CB HIS A 38 4.459 -11.635 -6.867 1.00 0.00 C ATOM 528 CG HIS A 38 5.043 -12.669 -5.954 1.00 0.00 C ATOM 529 ND1 HIS A 38 6.195 -12.465 -5.225 1.00 0.00 N ATOM 530 CD2 HIS A 38 4.625 -13.921 -5.653 1.00 0.00 C ATOM 531 CE1 HIS A 38 6.462 -13.548 -4.516 1.00 0.00 C ATOM 532 NE2 HIS A 38 5.524 -14.446 -4.757 1.00 0.00 N ATOM 0 H HIS A 38 1.696 -11.443 -6.411 1.00 0.00 H new ATOM 0 HA HIS A 38 4.142 -10.224 -5.279 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.856 -12.132 -7.627 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.268 -11.123 -7.388 1.00 0.00 H new ATOM 0 HD1 HIS A 38 6.754 -11.612 -5.232 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.748 -14.415 -6.044 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.304 -13.677 -3.852 1.00 0.00 H new ATOM 541 N TRP A 39 3.724 -8.235 -6.672 1.00 0.00 N ATOM 542 CA TRP A 39 3.505 -7.034 -7.470 1.00 0.00 C ATOM 543 C TRP A 39 4.770 -6.185 -7.535 1.00 0.00 C ATOM 544 O TRP A 39 5.717 -6.410 -6.783 1.00 0.00 O ATOM 545 CB TRP A 39 2.354 -6.213 -6.888 1.00 0.00 C ATOM 546 CG TRP A 39 2.654 -5.645 -5.534 1.00 0.00 C ATOM 547 CD1 TRP A 39 3.208 -4.427 -5.260 1.00 0.00 C ATOM 548 CD2 TRP A 39 2.419 -6.275 -4.270 1.00 0.00 C ATOM 549 NE1 TRP A 39 3.331 -4.262 -3.901 1.00 0.00 N ATOM 550 CE2 TRP A 39 2.854 -5.381 -3.272 1.00 0.00 C ATOM 551 CE3 TRP A 39 1.883 -7.506 -3.883 1.00 0.00 C ATOM 552 CZ2 TRP A 39 2.768 -5.681 -1.915 1.00 0.00 C ATOM 553 CZ3 TRP A 39 1.799 -7.803 -2.536 1.00 0.00 C ATOM 554 CH2 TRP A 39 2.239 -6.894 -1.565 1.00 0.00 C ATOM 0 H TRP A 39 4.218 -8.074 -5.795 1.00 0.00 H new ATOM 0 HA TRP A 39 3.245 -7.343 -8.482 1.00 0.00 H new ATOM 0 HB2 TRP A 39 2.117 -5.398 -7.572 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.466 -6.842 -6.822 1.00 0.00 H new ATOM 0 HD1 TRP A 39 3.506 -3.701 -6.002 1.00 0.00 H new ATOM 0 HE1 TRP A 39 3.715 -3.439 -3.436 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.540 -8.213 -4.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 3.107 -4.981 -1.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.387 -8.752 -2.226 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.159 -7.155 -0.520 1.00 0.00 H new ATOM 565 N GLN A 40 4.777 -5.210 -8.438 1.00 0.00 N ATOM 566 CA GLN A 40 5.927 -4.328 -8.600 1.00 0.00 C ATOM 567 C GLN A 40 5.511 -2.865 -8.491 1.00 0.00 C ATOM 568 O GLN A 40 4.380 -2.491 -8.804 1.00 0.00 O ATOM 569 CB GLN A 40 6.603 -4.579 -9.949 1.00 0.00 C ATOM 570 CG GLN A 40 7.493 -5.811 -9.964 1.00 0.00 C ATOM 571 CD GLN A 40 8.725 -5.651 -9.096 1.00 0.00 C ATOM 572 OE1 GLN A 40 9.478 -4.687 -9.238 1.00 0.00 O ATOM 573 NE2 GLN A 40 8.939 -6.598 -8.190 1.00 0.00 N ATOM 0 H GLN A 40 4.000 -5.011 -9.068 1.00 0.00 H new ATOM 0 HA GLN A 40 6.635 -4.546 -7.801 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.836 -4.686 -10.716 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.200 -3.707 -10.215 1.00 0.00 H new ATOM 0 HG2 GLN A 40 6.920 -6.672 -9.620 1.00 0.00 H new ATOM 0 HG3 GLN A 40 7.800 -6.020 -10.989 1.00 0.00 H new ATOM 0 HE21 GLN A 40 8.289 -7.380 -8.106 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.753 -6.544 -7.578 1.00 0.00 H new ATOM 582 N PRO A 41 6.444 -2.016 -8.036 1.00 0.00 N ATOM 583 CA PRO A 41 6.197 -0.580 -7.876 1.00 0.00 C ATOM 584 C PRO A 41 6.056 0.138 -9.214 1.00 0.00 C ATOM 585 O PRO A 41 6.730 -0.185 -10.192 1.00 0.00 O ATOM 586 CB PRO A 41 7.441 -0.087 -7.133 1.00 0.00 C ATOM 587 CG PRO A 41 8.506 -1.067 -7.486 1.00 0.00 C ATOM 588 CD PRO A 41 7.813 -2.392 -7.645 1.00 0.00 C ATOM 0 HA PRO A 41 5.263 -0.384 -7.349 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.713 0.922 -7.443 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.273 -0.056 -6.057 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.012 -0.778 -8.407 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.266 -1.115 -6.706 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.293 -3.008 -8.405 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.823 -2.965 -6.718 1.00 0.00 H new ATOM 596 N PRO A 42 5.160 1.135 -9.260 1.00 0.00 N ATOM 597 CA PRO A 42 4.911 1.919 -10.473 1.00 0.00 C ATOM 598 C PRO A 42 6.084 2.826 -10.829 1.00 0.00 C ATOM 599 O PRO A 42 7.026 2.971 -10.050 1.00 0.00 O ATOM 600 CB PRO A 42 3.681 2.755 -10.109 1.00 0.00 C ATOM 601 CG PRO A 42 3.723 2.862 -8.623 1.00 0.00 C ATOM 602 CD PRO A 42 4.322 1.574 -8.132 1.00 0.00 C ATOM 0 HA PRO A 42 4.768 1.283 -11.347 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.717 3.738 -10.578 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.762 2.275 -10.446 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.324 3.716 -8.310 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.723 3.008 -8.214 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.912 1.724 -7.228 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.553 0.839 -7.893 1.00 0.00 H new ATOM 610 N ALA A 43 6.021 3.433 -12.009 1.00 0.00 N ATOM 611 CA ALA A 43 7.077 4.327 -12.466 1.00 0.00 C ATOM 612 C ALA A 43 7.309 5.458 -11.469 1.00 0.00 C ATOM 613 O ALA A 43 6.409 5.864 -10.734 1.00 0.00 O ATOM 614 CB ALA A 43 6.734 4.891 -13.837 1.00 0.00 C ATOM 0 H ALA A 43 5.249 3.322 -12.666 1.00 0.00 H new ATOM 0 HA ALA A 43 7.999 3.751 -12.543 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.531 5.557 -14.166 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.626 4.074 -14.550 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.798 5.447 -13.778 1.00 0.00 H new ATOM 620 N PRO A 44 8.544 5.979 -11.442 1.00 0.00 N ATOM 621 CA PRO A 44 8.923 7.070 -10.539 1.00 0.00 C ATOM 622 C PRO A 44 8.267 8.393 -10.921 1.00 0.00 C ATOM 623 O PRO A 44 7.835 9.155 -10.057 1.00 0.00 O ATOM 624 CB PRO A 44 10.442 7.158 -10.706 1.00 0.00 C ATOM 625 CG PRO A 44 10.706 6.607 -12.065 1.00 0.00 C ATOM 626 CD PRO A 44 9.667 5.544 -12.290 1.00 0.00 C ATOM 0 HA PRO A 44 8.604 6.880 -9.514 1.00 0.00 H new ATOM 0 HB2 PRO A 44 10.791 8.187 -10.621 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.959 6.582 -9.938 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.636 7.387 -12.823 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.711 6.190 -12.129 1.00 0.00 H new ATOM 0 HD2 PRO A 44 9.377 5.481 -13.339 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.031 4.558 -12.000 1.00 0.00 H new ATOM 634 N ALA A 45 8.196 8.659 -12.221 1.00 0.00 N ATOM 635 CA ALA A 45 7.591 9.888 -12.717 1.00 0.00 C ATOM 636 C ALA A 45 6.157 10.035 -12.218 1.00 0.00 C ATOM 637 O ALA A 45 5.765 11.093 -11.725 1.00 0.00 O ATOM 638 CB ALA A 45 7.628 9.919 -14.238 1.00 0.00 C ATOM 0 H ALA A 45 8.550 8.039 -12.950 1.00 0.00 H new ATOM 0 HA ALA A 45 8.170 10.728 -12.333 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.173 10.843 -14.594 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.662 9.870 -14.578 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.075 9.066 -14.633 1.00 0.00 H new ATOM 644 N THR A 46 5.378 8.966 -12.350 1.00 0.00 N ATOM 645 CA THR A 46 3.987 8.976 -11.915 1.00 0.00 C ATOM 646 C THR A 46 3.883 9.216 -10.413 1.00 0.00 C ATOM 647 O THR A 46 3.201 10.140 -9.969 1.00 0.00 O ATOM 648 CB THR A 46 3.280 7.652 -12.262 1.00 0.00 C ATOM 649 OG1 THR A 46 3.975 6.553 -11.661 1.00 0.00 O ATOM 650 CG2 THR A 46 3.213 7.453 -13.768 1.00 0.00 C ATOM 0 H THR A 46 5.687 8.082 -12.755 1.00 0.00 H new ATOM 0 HA THR A 46 3.496 9.791 -12.446 1.00 0.00 H new ATOM 0 HB THR A 46 2.263 7.696 -11.872 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.941 6.699 -11.731 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.710 6.512 -13.989 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.658 8.276 -14.219 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.223 7.429 -14.177 1.00 0.00 H new ATOM 658 N GLN A 47 4.563 8.379 -9.636 1.00 0.00 N ATOM 659 CA GLN A 47 4.546 8.502 -8.183 1.00 0.00 C ATOM 660 C GLN A 47 4.487 9.966 -7.761 1.00 0.00 C ATOM 661 O GLN A 47 5.214 10.805 -8.292 1.00 0.00 O ATOM 662 CB GLN A 47 5.783 7.834 -7.579 1.00 0.00 C ATOM 663 CG GLN A 47 5.675 6.321 -7.490 1.00 0.00 C ATOM 664 CD GLN A 47 6.840 5.695 -6.749 1.00 0.00 C ATOM 665 OE1 GLN A 47 7.496 6.348 -5.937 1.00 0.00 O ATOM 666 NE2 GLN A 47 7.103 4.423 -7.024 1.00 0.00 N ATOM 0 H GLN A 47 5.132 7.609 -9.988 1.00 0.00 H new ATOM 0 HA GLN A 47 3.653 8.000 -7.812 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.655 8.093 -8.179 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.952 8.237 -6.581 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.745 6.056 -6.987 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.623 5.905 -8.496 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.533 3.920 -7.704 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.875 3.949 -6.555 1.00 0.00 H new ATOM 675 N ASN A 48 3.616 10.266 -6.803 1.00 0.00 N ATOM 676 CA ASN A 48 3.461 11.630 -6.310 1.00 0.00 C ATOM 677 C ASN A 48 4.001 11.760 -4.889 1.00 0.00 C ATOM 678 O ASN A 48 3.463 12.510 -4.076 1.00 0.00 O ATOM 679 CB ASN A 48 1.989 12.044 -6.349 1.00 0.00 C ATOM 680 CG ASN A 48 1.425 12.047 -7.757 1.00 0.00 C ATOM 681 OD1 ASN A 48 2.170 11.996 -8.735 1.00 0.00 O ATOM 682 ND2 ASN A 48 0.103 12.108 -7.865 1.00 0.00 N ATOM 0 H ASN A 48 3.007 9.583 -6.353 1.00 0.00 H new ATOM 0 HA ASN A 48 4.035 12.292 -6.959 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.406 11.363 -5.729 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.883 13.039 -5.916 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.334 12.114 -8.787 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.476 12.149 -7.026 1.00 0.00 H new ATOM 689 N GLY A 49 5.068 11.023 -4.598 1.00 0.00 N ATOM 690 CA GLY A 49 5.663 11.069 -3.275 1.00 0.00 C ATOM 691 C GLY A 49 6.368 9.778 -2.910 1.00 0.00 C ATOM 692 O GLY A 49 7.042 9.175 -3.745 1.00 0.00 O ATOM 0 H GLY A 49 5.531 10.395 -5.255 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.375 11.893 -3.229 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.887 11.276 -2.538 1.00 0.00 H new ATOM 696 N GLN A 50 6.214 9.354 -1.660 1.00 0.00 N ATOM 697 CA GLN A 50 6.843 8.127 -1.186 1.00 0.00 C ATOM 698 C GLN A 50 5.797 7.135 -0.691 1.00 0.00 C ATOM 699 O GLN A 50 4.879 7.501 0.045 1.00 0.00 O ATOM 700 CB GLN A 50 7.838 8.438 -0.067 1.00 0.00 C ATOM 701 CG GLN A 50 8.369 7.200 0.637 1.00 0.00 C ATOM 702 CD GLN A 50 9.726 7.426 1.272 1.00 0.00 C ATOM 703 OE1 GLN A 50 10.537 8.206 0.771 1.00 0.00 O ATOM 704 NE2 GLN A 50 9.983 6.744 2.382 1.00 0.00 N ATOM 0 H GLN A 50 5.659 9.842 -0.957 1.00 0.00 H new ATOM 0 HA GLN A 50 7.377 7.676 -2.022 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.676 8.997 -0.483 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.356 9.084 0.667 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.660 6.891 1.405 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.439 6.382 -0.079 1.00 0.00 H new ATOM 0 HE21 GLN A 50 9.283 6.108 2.763 1.00 0.00 H new ATOM 0 HE22 GLN A 50 10.881 6.856 2.853 1.00 0.00 H new ATOM 713 N ILE A 51 5.940 5.878 -1.099 1.00 0.00 N ATOM 714 CA ILE A 51 5.008 4.833 -0.695 1.00 0.00 C ATOM 715 C ILE A 51 5.291 4.363 0.727 1.00 0.00 C ATOM 716 O ILE A 51 6.445 4.171 1.112 1.00 0.00 O ATOM 717 CB ILE A 51 5.071 3.624 -1.646 1.00 0.00 C ATOM 718 CG1 ILE A 51 4.606 4.024 -3.048 1.00 0.00 C ATOM 719 CG2 ILE A 51 4.224 2.481 -1.107 1.00 0.00 C ATOM 720 CD1 ILE A 51 5.009 3.039 -4.123 1.00 0.00 C ATOM 0 H ILE A 51 6.693 5.559 -1.709 1.00 0.00 H new ATOM 0 HA ILE A 51 4.009 5.267 -0.739 1.00 0.00 H new ATOM 0 HB ILE A 51 6.105 3.285 -1.710 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.521 4.124 -3.047 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.016 5.004 -3.292 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.279 1.634 -1.791 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.597 2.182 -0.128 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.188 2.807 -1.016 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.646 3.387 -5.090 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.095 2.956 -4.152 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.576 2.063 -3.903 1.00 0.00 H new ATOM 732 N THR A 52 4.229 4.176 1.506 1.00 0.00 N ATOM 733 CA THR A 52 4.363 3.727 2.886 1.00 0.00 C ATOM 734 C THR A 52 3.878 2.291 3.046 1.00 0.00 C ATOM 735 O THR A 52 4.359 1.555 3.907 1.00 0.00 O ATOM 736 CB THR A 52 3.576 4.634 3.850 1.00 0.00 C ATOM 737 OG1 THR A 52 2.172 4.525 3.590 1.00 0.00 O ATOM 738 CG2 THR A 52 4.012 6.084 3.707 1.00 0.00 C ATOM 0 H THR A 52 3.267 4.329 1.204 1.00 0.00 H new ATOM 0 HA THR A 52 5.423 3.779 3.134 1.00 0.00 H new ATOM 0 HB THR A 52 3.783 4.308 4.869 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.679 5.104 4.208 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.442 6.705 4.398 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.075 6.169 3.935 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.832 6.419 2.685 1.00 0.00 H new ATOM 746 N GLY A 53 2.921 1.898 2.211 1.00 0.00 N ATOM 747 CA GLY A 53 2.387 0.550 2.277 1.00 0.00 C ATOM 748 C GLY A 53 1.365 0.278 1.191 1.00 0.00 C ATOM 749 O GLY A 53 0.814 1.207 0.600 1.00 0.00 O ATOM 0 H GLY A 53 2.506 2.489 1.490 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.204 -0.166 2.190 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.927 0.392 3.252 1.00 0.00 H new ATOM 753 N TYR A 54 1.112 -0.999 0.925 1.00 0.00 N ATOM 754 CA TYR A 54 0.152 -1.391 -0.100 1.00 0.00 C ATOM 755 C TYR A 54 -1.102 -1.991 0.528 1.00 0.00 C ATOM 756 O TYR A 54 -1.024 -2.767 1.481 1.00 0.00 O ATOM 757 CB TYR A 54 0.785 -2.397 -1.063 1.00 0.00 C ATOM 758 CG TYR A 54 1.994 -1.858 -1.793 1.00 0.00 C ATOM 759 CD1 TYR A 54 1.851 -1.083 -2.938 1.00 0.00 C ATOM 760 CD2 TYR A 54 3.280 -2.123 -1.338 1.00 0.00 C ATOM 761 CE1 TYR A 54 2.953 -0.590 -3.609 1.00 0.00 C ATOM 762 CE2 TYR A 54 4.388 -1.632 -2.002 1.00 0.00 C ATOM 763 CZ TYR A 54 4.219 -0.866 -3.137 1.00 0.00 C ATOM 764 OH TYR A 54 5.319 -0.375 -3.802 1.00 0.00 O ATOM 0 H TYR A 54 1.559 -1.780 1.405 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.134 -0.497 -0.654 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.075 -3.288 -0.506 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.038 -2.707 -1.794 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.861 -0.863 -3.309 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.416 -2.723 -0.450 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.824 0.009 -4.499 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.381 -1.847 -1.635 1.00 0.00 H new ATOM 0 HH TYR A 54 6.135 -0.659 -3.339 1.00 0.00 H new ATOM 774 N LYS A 55 -2.259 -1.625 -0.012 1.00 0.00 N ATOM 775 CA LYS A 55 -3.532 -2.127 0.492 1.00 0.00 C ATOM 776 C LYS A 55 -4.005 -3.327 -0.323 1.00 0.00 C ATOM 777 O LYS A 55 -4.569 -3.170 -1.406 1.00 0.00 O ATOM 778 CB LYS A 55 -4.591 -1.023 0.453 1.00 0.00 C ATOM 779 CG LYS A 55 -5.653 -1.161 1.529 1.00 0.00 C ATOM 780 CD LYS A 55 -6.374 0.155 1.774 1.00 0.00 C ATOM 781 CE LYS A 55 -7.021 0.188 3.150 1.00 0.00 C ATOM 782 NZ LYS A 55 -8.393 -0.391 3.131 1.00 0.00 N ATOM 0 H LYS A 55 -2.342 -0.982 -0.799 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.385 -2.445 1.524 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.100 -0.056 0.561 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.073 -1.028 -0.524 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.375 -1.923 1.234 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.191 -1.502 2.456 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.668 0.980 1.683 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.136 0.302 1.009 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.402 -0.366 3.856 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.066 1.217 3.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.800 -0.350 4.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.991 0.153 2.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.348 -1.381 2.816 1.00 0.00 H new ATOM 796 N ILE A 56 -3.772 -4.524 0.206 1.00 0.00 N ATOM 797 CA ILE A 56 -4.176 -5.750 -0.472 1.00 0.00 C ATOM 798 C ILE A 56 -5.555 -6.205 -0.007 1.00 0.00 C ATOM 799 O ILE A 56 -5.737 -6.586 1.150 1.00 0.00 O ATOM 800 CB ILE A 56 -3.164 -6.886 -0.232 1.00 0.00 C ATOM 801 CG1 ILE A 56 -1.835 -6.567 -0.918 1.00 0.00 C ATOM 802 CG2 ILE A 56 -3.723 -8.208 -0.736 1.00 0.00 C ATOM 803 CD1 ILE A 56 -0.675 -7.389 -0.400 1.00 0.00 C ATOM 0 H ILE A 56 -3.306 -4.671 1.101 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.210 -5.525 -1.538 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.986 -6.974 0.840 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.939 -6.735 -1.990 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.610 -5.509 -0.782 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.996 -9.001 -0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.647 -8.438 -0.206 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.926 -8.133 -1.804 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.235 -7.110 -0.931 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.544 -7.203 0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.879 -8.448 -0.561 1.00 0.00 H new ATOM 815 N ARG A 57 -6.523 -6.165 -0.916 1.00 0.00 N ATOM 816 CA ARG A 57 -7.886 -6.575 -0.599 1.00 0.00 C ATOM 817 C ARG A 57 -8.314 -7.757 -1.465 1.00 0.00 C ATOM 818 O ARG A 57 -8.102 -7.760 -2.677 1.00 0.00 O ATOM 819 CB ARG A 57 -8.852 -5.406 -0.800 1.00 0.00 C ATOM 820 CG ARG A 57 -9.011 -4.528 0.430 1.00 0.00 C ATOM 821 CD ARG A 57 -9.995 -3.395 0.184 1.00 0.00 C ATOM 822 NE ARG A 57 -10.517 -2.842 1.431 1.00 0.00 N ATOM 823 CZ ARG A 57 -11.535 -1.991 1.488 1.00 0.00 C ATOM 824 NH1 ARG A 57 -12.139 -1.599 0.375 1.00 0.00 N ATOM 825 NH2 ARG A 57 -11.952 -1.532 2.661 1.00 0.00 N ATOM 0 H ARG A 57 -6.389 -5.853 -1.878 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.912 -6.884 0.446 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.500 -4.793 -1.630 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.828 -5.798 -1.085 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.355 -5.134 1.268 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.042 -4.115 0.711 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.504 -2.606 -0.385 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.822 -3.759 -0.425 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.076 -3.125 2.306 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.822 -1.951 -0.528 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.921 -0.945 0.422 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.491 -1.833 3.520 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.734 -0.878 2.704 1.00 0.00 H new ATOM 839 N TYR A 58 -8.916 -8.758 -0.833 1.00 0.00 N ATOM 840 CA TYR A 58 -9.371 -9.947 -1.544 1.00 0.00 C ATOM 841 C TYR A 58 -10.799 -10.307 -1.146 1.00 0.00 C ATOM 842 O TYR A 58 -11.206 -10.104 -0.002 1.00 0.00 O ATOM 843 CB TYR A 58 -8.437 -11.125 -1.260 1.00 0.00 C ATOM 844 CG TYR A 58 -8.382 -11.516 0.199 1.00 0.00 C ATOM 845 CD1 TYR A 58 -7.623 -10.786 1.106 1.00 0.00 C ATOM 846 CD2 TYR A 58 -9.088 -12.615 0.672 1.00 0.00 C ATOM 847 CE1 TYR A 58 -7.569 -11.140 2.440 1.00 0.00 C ATOM 848 CE2 TYR A 58 -9.042 -12.975 2.005 1.00 0.00 C ATOM 849 CZ TYR A 58 -8.280 -12.234 2.885 1.00 0.00 C ATOM 850 OH TYR A 58 -8.230 -12.591 4.213 1.00 0.00 O ATOM 0 H TYR A 58 -9.100 -8.770 0.170 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.355 -9.729 -2.612 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.762 -11.985 -1.846 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.432 -10.871 -1.597 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.066 -9.927 0.762 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.683 -13.198 -0.015 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.973 -10.563 3.131 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.599 -13.831 2.356 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.788 -13.383 4.360 1.00 0.00 H new ATOM 860 N ARG A 59 -11.554 -10.845 -2.098 1.00 0.00 N ATOM 861 CA ARG A 59 -12.937 -11.234 -1.848 1.00 0.00 C ATOM 862 C ARG A 59 -13.234 -12.602 -2.454 1.00 0.00 C ATOM 863 O ARG A 59 -12.398 -13.182 -3.146 1.00 0.00 O ATOM 864 CB ARG A 59 -13.895 -10.189 -2.424 1.00 0.00 C ATOM 865 CG ARG A 59 -14.010 -10.239 -3.939 1.00 0.00 C ATOM 866 CD ARG A 59 -14.784 -9.046 -4.478 1.00 0.00 C ATOM 867 NE ARG A 59 -14.495 -8.798 -5.888 1.00 0.00 N ATOM 868 CZ ARG A 59 -15.004 -7.781 -6.574 1.00 0.00 C ATOM 869 NH1 ARG A 59 -15.823 -6.922 -5.984 1.00 0.00 N ATOM 870 NH2 ARG A 59 -14.694 -7.622 -7.855 1.00 0.00 N ATOM 0 H ARG A 59 -11.232 -11.022 -3.049 1.00 0.00 H new ATOM 0 HA ARG A 59 -13.083 -11.294 -0.769 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -14.883 -10.335 -1.988 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -13.558 -9.196 -2.126 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -13.014 -10.257 -4.380 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -14.508 -11.162 -4.237 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.853 -9.220 -4.352 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -14.535 -8.159 -3.895 1.00 0.00 H new ATOM 0 HE ARG A 59 -13.868 -9.441 -6.372 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -16.064 -7.041 -5.000 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -16.212 -6.142 -6.514 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -14.065 -8.281 -8.313 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -15.085 -6.841 -8.381 1.00 0.00 H new ATOM 884 N LYS A 60 -14.432 -13.113 -2.188 1.00 0.00 N ATOM 885 CA LYS A 60 -14.842 -14.412 -2.707 1.00 0.00 C ATOM 886 C LYS A 60 -15.593 -14.259 -4.026 1.00 0.00 C ATOM 887 O LYS A 60 -16.450 -13.387 -4.165 1.00 0.00 O ATOM 888 CB LYS A 60 -15.723 -15.137 -1.687 1.00 0.00 C ATOM 889 CG LYS A 60 -14.938 -15.964 -0.684 1.00 0.00 C ATOM 890 CD LYS A 60 -15.836 -16.510 0.413 1.00 0.00 C ATOM 891 CE LYS A 60 -16.648 -17.701 -0.073 1.00 0.00 C ATOM 892 NZ LYS A 60 -17.484 -18.284 1.014 1.00 0.00 N ATOM 0 H LYS A 60 -15.136 -12.647 -1.616 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.944 -15.003 -2.887 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -16.322 -14.402 -1.149 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -16.418 -15.788 -2.217 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.446 -16.790 -1.198 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.153 -15.351 -0.241 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.228 -16.807 1.268 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.509 -15.725 0.758 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -17.290 -17.391 -0.898 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.975 -18.465 -0.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -18.022 -19.093 0.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -16.870 -18.603 1.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -18.144 -17.563 1.369 1.00 0.00 H new ATOM 906 N ALA A 61 -15.268 -15.114 -4.990 1.00 0.00 N ATOM 907 CA ALA A 61 -15.914 -15.076 -6.295 1.00 0.00 C ATOM 908 C ALA A 61 -17.426 -15.231 -6.164 1.00 0.00 C ATOM 909 O ALA A 61 -18.191 -14.470 -6.755 1.00 0.00 O ATOM 910 CB ALA A 61 -15.346 -16.161 -7.198 1.00 0.00 C ATOM 0 H ALA A 61 -14.560 -15.842 -4.891 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.712 -14.104 -6.744 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -15.838 -16.120 -8.170 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.275 -16.003 -7.327 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -15.517 -17.138 -6.745 1.00 0.00 H new ATOM 916 N SER A 62 -17.848 -16.224 -5.387 1.00 0.00 N ATOM 917 CA SER A 62 -19.269 -16.482 -5.182 1.00 0.00 C ATOM 918 C SER A 62 -19.909 -15.372 -4.354 1.00 0.00 C ATOM 919 O SER A 62 -20.997 -14.892 -4.675 1.00 0.00 O ATOM 920 CB SER A 62 -19.469 -17.831 -4.489 1.00 0.00 C ATOM 921 OG SER A 62 -19.479 -18.891 -5.429 1.00 0.00 O ATOM 0 H SER A 62 -17.227 -16.862 -4.890 1.00 0.00 H new ATOM 0 HA SER A 62 -19.753 -16.508 -6.158 1.00 0.00 H new ATOM 0 HB2 SER A 62 -18.672 -17.992 -3.763 1.00 0.00 H new ATOM 0 HB3 SER A 62 -20.408 -17.823 -3.935 1.00 0.00 H new ATOM 0 HG SER A 62 -19.607 -19.742 -4.961 1.00 0.00 H new ATOM 927 N ARG A 63 -19.226 -14.969 -3.288 1.00 0.00 N ATOM 928 CA ARG A 63 -19.728 -13.916 -2.412 1.00 0.00 C ATOM 929 C ARG A 63 -18.775 -12.725 -2.394 1.00 0.00 C ATOM 930 O ARG A 63 -18.131 -12.446 -1.382 1.00 0.00 O ATOM 931 CB ARG A 63 -19.918 -14.453 -0.992 1.00 0.00 C ATOM 932 CG ARG A 63 -20.586 -13.463 -0.052 1.00 0.00 C ATOM 933 CD ARG A 63 -22.039 -13.224 -0.435 1.00 0.00 C ATOM 934 NE ARG A 63 -22.672 -12.221 0.417 1.00 0.00 N ATOM 935 CZ ARG A 63 -23.820 -11.622 0.119 1.00 0.00 C ATOM 936 NH1 ARG A 63 -24.457 -11.925 -1.003 1.00 0.00 N ATOM 937 NH2 ARG A 63 -24.333 -10.720 0.946 1.00 0.00 N ATOM 0 H ARG A 63 -18.324 -15.355 -3.010 1.00 0.00 H new ATOM 0 HA ARG A 63 -20.691 -13.583 -2.799 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -20.517 -15.363 -1.034 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -18.946 -14.730 -0.584 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -20.535 -13.839 0.970 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -20.043 -12.518 -0.072 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -22.091 -12.901 -1.475 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -22.591 -14.161 -0.364 1.00 0.00 H new ATOM 0 HE ARG A 63 -22.207 -11.966 1.289 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -24.066 -12.619 -1.640 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -25.338 -11.464 -1.230 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -23.846 -10.486 1.811 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -25.214 -10.261 0.717 1.00 0.00 H new ATOM 951 N LYS A 64 -18.690 -12.024 -3.520 1.00 0.00 N ATOM 952 CA LYS A 64 -17.817 -10.862 -3.635 1.00 0.00 C ATOM 953 C LYS A 64 -17.949 -9.960 -2.412 1.00 0.00 C ATOM 954 O LYS A 64 -16.954 -9.456 -1.891 1.00 0.00 O ATOM 955 CB LYS A 64 -18.149 -10.072 -4.902 1.00 0.00 C ATOM 956 CG LYS A 64 -17.535 -10.657 -6.162 1.00 0.00 C ATOM 957 CD LYS A 64 -18.119 -10.023 -7.414 1.00 0.00 C ATOM 958 CE LYS A 64 -17.493 -10.599 -8.675 1.00 0.00 C ATOM 959 NZ LYS A 64 -18.169 -10.103 -9.906 1.00 0.00 N ATOM 0 H LYS A 64 -19.216 -12.241 -4.367 1.00 0.00 H new ATOM 0 HA LYS A 64 -16.788 -11.216 -3.695 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -19.232 -10.031 -5.021 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -17.802 -9.046 -4.782 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -16.456 -10.505 -6.146 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -17.705 -11.733 -6.185 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -19.197 -10.184 -7.436 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -17.958 -8.945 -7.386 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -16.436 -10.334 -8.709 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -17.548 -11.687 -8.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -17.713 -10.518 -10.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -19.172 -10.377 -9.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -18.094 -9.067 -9.949 1.00 0.00 H new ATOM 973 N SER A 65 -19.182 -9.762 -1.958 1.00 0.00 N ATOM 974 CA SER A 65 -19.443 -8.919 -0.797 1.00 0.00 C ATOM 975 C SER A 65 -18.453 -9.216 0.325 1.00 0.00 C ATOM 976 O SER A 65 -18.034 -8.316 1.053 1.00 0.00 O ATOM 977 CB SER A 65 -20.874 -9.131 -0.298 1.00 0.00 C ATOM 978 OG SER A 65 -21.323 -8.016 0.453 1.00 0.00 O ATOM 0 H SER A 65 -20.016 -10.174 -2.376 1.00 0.00 H new ATOM 0 HA SER A 65 -19.321 -7.879 -1.100 1.00 0.00 H new ATOM 0 HB2 SER A 65 -21.538 -9.293 -1.147 1.00 0.00 H new ATOM 0 HB3 SER A 65 -20.918 -10.030 0.317 1.00 0.00 H new ATOM 0 HG SER A 65 -22.240 -8.176 0.759 1.00 0.00 H new ATOM 984 N ASP A 66 -18.083 -10.485 0.457 1.00 0.00 N ATOM 985 CA ASP A 66 -17.140 -10.903 1.489 1.00 0.00 C ATOM 986 C ASP A 66 -15.710 -10.550 1.093 1.00 0.00 C ATOM 987 O ASP A 66 -15.063 -11.282 0.344 1.00 0.00 O ATOM 988 CB ASP A 66 -17.258 -12.407 1.738 1.00 0.00 C ATOM 989 CG ASP A 66 -16.542 -12.843 3.001 1.00 0.00 C ATOM 990 OD1 ASP A 66 -16.582 -12.089 3.996 1.00 0.00 O ATOM 991 OD2 ASP A 66 -15.942 -13.938 2.996 1.00 0.00 O ATOM 0 H ASP A 66 -18.421 -11.242 -0.137 1.00 0.00 H new ATOM 0 HA ASP A 66 -17.385 -10.371 2.408 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -18.311 -12.679 1.809 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.846 -12.947 0.885 1.00 0.00 H new ATOM 996 N VAL A 67 -15.222 -9.423 1.602 1.00 0.00 N ATOM 997 CA VAL A 67 -13.868 -8.973 1.302 1.00 0.00 C ATOM 998 C VAL A 67 -13.104 -8.640 2.578 1.00 0.00 C ATOM 999 O VAL A 67 -13.664 -8.081 3.523 1.00 0.00 O ATOM 1000 CB VAL A 67 -13.878 -7.736 0.385 1.00 0.00 C ATOM 1001 CG1 VAL A 67 -14.944 -6.747 0.833 1.00 0.00 C ATOM 1002 CG2 VAL A 67 -12.506 -7.079 0.361 1.00 0.00 C ATOM 0 H VAL A 67 -15.744 -8.805 2.224 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.369 -9.794 0.787 1.00 0.00 H new ATOM 0 HB VAL A 67 -14.119 -8.059 -0.628 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -14.936 -5.880 0.173 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -15.923 -7.224 0.793 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -14.738 -6.428 1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.532 -6.207 -0.292 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.233 -6.769 1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.769 -7.790 -0.012 1.00 0.00 H new ATOM 1012 N THR A 68 -11.820 -8.985 2.601 1.00 0.00 N ATOM 1013 CA THR A 68 -10.979 -8.723 3.762 1.00 0.00 C ATOM 1014 C THR A 68 -9.823 -7.795 3.405 1.00 0.00 C ATOM 1015 O THR A 68 -9.260 -7.883 2.314 1.00 0.00 O ATOM 1016 CB THR A 68 -10.411 -10.029 4.350 1.00 0.00 C ATOM 1017 OG1 THR A 68 -11.481 -10.908 4.714 1.00 0.00 O ATOM 1018 CG2 THR A 68 -9.546 -9.742 5.568 1.00 0.00 C ATOM 0 H THR A 68 -11.340 -9.447 1.828 1.00 0.00 H new ATOM 0 HA THR A 68 -11.611 -8.242 4.508 1.00 0.00 H new ATOM 0 HB THR A 68 -9.793 -10.506 3.590 1.00 0.00 H new ATOM 0 HG1 THR A 68 -11.112 -11.736 5.085 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.156 -10.679 5.966 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.716 -9.096 5.281 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.145 -9.245 6.331 1.00 0.00 H new ATOM 1026 N GLU A 69 -9.475 -6.908 4.332 1.00 0.00 N ATOM 1027 CA GLU A 69 -8.385 -5.964 4.113 1.00 0.00 C ATOM 1028 C GLU A 69 -7.056 -6.549 4.583 1.00 0.00 C ATOM 1029 O GLU A 69 -6.994 -7.246 5.596 1.00 0.00 O ATOM 1030 CB GLU A 69 -8.664 -4.650 4.846 1.00 0.00 C ATOM 1031 CG GLU A 69 -7.576 -3.606 4.658 1.00 0.00 C ATOM 1032 CD GLU A 69 -6.343 -3.892 5.494 1.00 0.00 C ATOM 1033 OE1 GLU A 69 -6.444 -3.837 6.737 1.00 0.00 O ATOM 1034 OE2 GLU A 69 -5.278 -4.170 4.905 1.00 0.00 O ATOM 0 H GLU A 69 -9.931 -6.823 5.240 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.318 -5.768 3.043 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.612 -4.242 4.495 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.780 -4.855 5.910 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.295 -3.564 3.606 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.970 -2.624 4.922 1.00 0.00 H new ATOM 1041 N THR A 70 -5.993 -6.260 3.838 1.00 0.00 N ATOM 1042 CA THR A 70 -4.665 -6.758 4.176 1.00 0.00 C ATOM 1043 C THR A 70 -3.586 -5.754 3.786 1.00 0.00 C ATOM 1044 O THR A 70 -3.298 -5.565 2.603 1.00 0.00 O ATOM 1045 CB THR A 70 -4.376 -8.102 3.482 1.00 0.00 C ATOM 1046 OG1 THR A 70 -5.244 -9.117 3.997 1.00 0.00 O ATOM 1047 CG2 THR A 70 -2.926 -8.516 3.687 1.00 0.00 C ATOM 0 H THR A 70 -6.026 -5.684 2.997 1.00 0.00 H new ATOM 0 HA THR A 70 -4.647 -6.905 5.256 1.00 0.00 H new ATOM 0 HB THR A 70 -4.555 -7.979 2.414 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.744 -9.954 4.099 1.00 0.00 H new ATOM 0 HG21 THR A 70 -2.745 -9.468 3.188 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.268 -7.756 3.267 1.00 0.00 H new ATOM 0 HG23 THR A 70 -2.725 -8.621 4.753 1.00 0.00 H new ATOM 1055 N LEU A 71 -2.992 -5.113 4.786 1.00 0.00 N ATOM 1056 CA LEU A 71 -1.942 -4.128 4.547 1.00 0.00 C ATOM 1057 C LEU A 71 -0.561 -4.760 4.688 1.00 0.00 C ATOM 1058 O LEU A 71 -0.416 -5.842 5.257 1.00 0.00 O ATOM 1059 CB LEU A 71 -2.082 -2.958 5.523 1.00 0.00 C ATOM 1060 CG LEU A 71 -2.887 -1.759 5.021 1.00 0.00 C ATOM 1061 CD1 LEU A 71 -3.026 -0.713 6.116 1.00 0.00 C ATOM 1062 CD2 LEU A 71 -2.234 -1.157 3.786 1.00 0.00 C ATOM 0 H LEU A 71 -3.219 -5.257 5.770 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.050 -3.758 3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.548 -3.327 6.437 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.083 -2.613 5.792 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.884 -2.104 4.748 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.602 0.133 5.740 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.539 -1.149 6.973 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.037 -0.372 6.421 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.821 -0.305 3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.225 -0.827 4.032 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.188 -1.907 2.997 1.00 0.00 H new ATOM 1074 N VAL A 72 0.452 -4.075 4.167 1.00 0.00 N ATOM 1075 CA VAL A 72 1.823 -4.567 4.236 1.00 0.00 C ATOM 1076 C VAL A 72 2.814 -3.416 4.374 1.00 0.00 C ATOM 1077 O VAL A 72 2.420 -2.256 4.495 1.00 0.00 O ATOM 1078 CB VAL A 72 2.187 -5.396 2.990 1.00 0.00 C ATOM 1079 CG1 VAL A 72 1.362 -6.673 2.939 1.00 0.00 C ATOM 1080 CG2 VAL A 72 1.988 -4.572 1.727 1.00 0.00 C ATOM 0 H VAL A 72 0.349 -3.178 3.693 1.00 0.00 H new ATOM 0 HA VAL A 72 1.885 -5.205 5.118 1.00 0.00 H new ATOM 0 HB VAL A 72 3.239 -5.674 3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.633 -7.246 2.052 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.559 -7.269 3.830 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.302 -6.420 2.898 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.250 -5.173 0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.945 -4.263 1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.626 -3.689 1.764 1.00 0.00 H new ATOM 1090 N SER A 73 4.101 -3.745 4.355 1.00 0.00 N ATOM 1091 CA SER A 73 5.149 -2.739 4.481 1.00 0.00 C ATOM 1092 C SER A 73 5.396 -2.042 3.147 1.00 0.00 C ATOM 1093 O SER A 73 5.180 -2.619 2.083 1.00 0.00 O ATOM 1094 CB SER A 73 6.445 -3.382 4.981 1.00 0.00 C ATOM 1095 OG SER A 73 6.494 -3.396 6.397 1.00 0.00 O ATOM 0 H SER A 73 4.443 -4.700 4.254 1.00 0.00 H new ATOM 0 HA SER A 73 4.818 -1.994 5.205 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.519 -4.401 4.601 1.00 0.00 H new ATOM 0 HB3 SER A 73 7.302 -2.833 4.590 1.00 0.00 H new ATOM 0 HG SER A 73 7.331 -3.813 6.691 1.00 0.00 H new ATOM 1101 N GLY A 74 5.850 -0.794 3.214 1.00 0.00 N ATOM 1102 CA GLY A 74 6.119 -0.036 2.006 1.00 0.00 C ATOM 1103 C GLY A 74 7.229 -0.648 1.173 1.00 0.00 C ATOM 1104 O GLY A 74 7.246 -0.510 -0.050 1.00 0.00 O ATOM 0 H GLY A 74 6.036 -0.294 4.084 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.210 0.023 1.408 1.00 0.00 H new ATOM 0 HA3 GLY A 74 6.391 0.985 2.274 1.00 0.00 H new ATOM 1108 N THR A 75 8.160 -1.325 1.837 1.00 0.00 N ATOM 1109 CA THR A 75 9.280 -1.957 1.151 1.00 0.00 C ATOM 1110 C THR A 75 8.957 -3.402 0.786 1.00 0.00 C ATOM 1111 O THR A 75 9.735 -4.067 0.104 1.00 0.00 O ATOM 1112 CB THR A 75 10.555 -1.931 2.015 1.00 0.00 C ATOM 1113 OG1 THR A 75 11.610 -2.636 1.352 1.00 0.00 O ATOM 1114 CG2 THR A 75 10.298 -2.557 3.378 1.00 0.00 C ATOM 0 H THR A 75 8.161 -1.450 2.849 1.00 0.00 H new ATOM 0 HA THR A 75 9.455 -1.385 0.240 1.00 0.00 H new ATOM 0 HB THR A 75 10.848 -0.891 2.160 1.00 0.00 H new ATOM 0 HG1 THR A 75 11.229 -3.231 0.673 1.00 0.00 H new ATOM 0 HG21 THR A 75 11.213 -2.527 3.970 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.514 -2.000 3.892 1.00 0.00 H new ATOM 0 HG23 THR A 75 9.983 -3.592 3.249 1.00 0.00 H new ATOM 1122 N GLN A 76 7.804 -3.879 1.244 1.00 0.00 N ATOM 1123 CA GLN A 76 7.379 -5.245 0.965 1.00 0.00 C ATOM 1124 C GLN A 76 6.590 -5.314 -0.338 1.00 0.00 C ATOM 1125 O GLN A 76 5.510 -4.732 -0.455 1.00 0.00 O ATOM 1126 CB GLN A 76 6.530 -5.783 2.118 1.00 0.00 C ATOM 1127 CG GLN A 76 5.829 -7.094 1.798 1.00 0.00 C ATOM 1128 CD GLN A 76 5.546 -7.922 3.036 1.00 0.00 C ATOM 1129 OE1 GLN A 76 4.312 -8.395 3.162 1.00 0.00 O flip ATOM 1130 NE2 GLN A 76 6.427 -8.135 3.869 1.00 0.00 N flip ATOM 0 H GLN A 76 7.148 -3.340 1.809 1.00 0.00 H new ATOM 0 HA GLN A 76 8.271 -5.862 0.861 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.167 -5.925 2.991 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.782 -5.037 2.386 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.891 -6.884 1.284 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.446 -7.673 1.111 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.362 -7.752 3.732 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.222 -8.695 4.697 1.00 0.00 H new ATOM 1139 N LEU A 77 7.134 -6.029 -1.317 1.00 0.00 N ATOM 1140 CA LEU A 77 6.482 -6.174 -2.613 1.00 0.00 C ATOM 1141 C LEU A 77 5.794 -7.531 -2.728 1.00 0.00 C ATOM 1142 O LEU A 77 5.533 -8.015 -3.829 1.00 0.00 O ATOM 1143 CB LEU A 77 7.502 -6.010 -3.741 1.00 0.00 C ATOM 1144 CG LEU A 77 8.208 -4.656 -3.815 1.00 0.00 C ATOM 1145 CD1 LEU A 77 9.326 -4.693 -4.845 1.00 0.00 C ATOM 1146 CD2 LEU A 77 7.213 -3.553 -4.145 1.00 0.00 C ATOM 0 H LEU A 77 8.026 -6.518 -1.237 1.00 0.00 H new ATOM 0 HA LEU A 77 5.725 -5.395 -2.700 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.259 -6.787 -3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.996 -6.186 -4.690 1.00 0.00 H new ATOM 0 HG LEU A 77 8.646 -4.443 -2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.817 -3.721 -4.884 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.053 -5.456 -4.566 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.910 -4.929 -5.825 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.733 -2.596 -4.194 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.745 -3.761 -5.107 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.447 -3.510 -3.371 1.00 0.00 H new ATOM 1158 N SER A 78 5.501 -8.139 -1.582 1.00 0.00 N ATOM 1159 CA SER A 78 4.845 -9.441 -1.554 1.00 0.00 C ATOM 1160 C SER A 78 3.972 -9.582 -0.310 1.00 0.00 C ATOM 1161 O SER A 78 4.136 -8.846 0.662 1.00 0.00 O ATOM 1162 CB SER A 78 5.886 -10.561 -1.591 1.00 0.00 C ATOM 1163 OG SER A 78 6.686 -10.552 -0.421 1.00 0.00 O ATOM 0 H SER A 78 5.708 -7.751 -0.662 1.00 0.00 H new ATOM 0 HA SER A 78 4.208 -9.519 -2.435 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.385 -11.524 -1.686 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.520 -10.444 -2.470 1.00 0.00 H new ATOM 0 HG SER A 78 7.342 -11.278 -0.468 1.00 0.00 H new ATOM 1169 N GLN A 79 3.046 -10.534 -0.350 1.00 0.00 N ATOM 1170 CA GLN A 79 2.147 -10.772 0.773 1.00 0.00 C ATOM 1171 C GLN A 79 1.524 -12.161 0.686 1.00 0.00 C ATOM 1172 O GLN A 79 0.913 -12.518 -0.322 1.00 0.00 O ATOM 1173 CB GLN A 79 1.048 -9.709 0.808 1.00 0.00 C ATOM 1174 CG GLN A 79 0.205 -9.746 2.073 1.00 0.00 C ATOM 1175 CD GLN A 79 1.030 -10.021 3.315 1.00 0.00 C ATOM 1176 OE1 GLN A 79 2.082 -9.417 3.522 1.00 0.00 O ATOM 1177 NE2 GLN A 79 0.554 -10.937 4.150 1.00 0.00 N ATOM 0 H GLN A 79 2.898 -11.153 -1.147 1.00 0.00 H new ATOM 0 HA GLN A 79 2.730 -10.712 1.692 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.504 -8.724 0.714 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.397 -9.843 -0.056 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.312 -8.794 2.188 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.561 -10.515 1.972 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.323 -11.413 3.939 1.00 0.00 H new ATOM 0 HE22 GLN A 79 1.065 -11.164 5.003 1.00 0.00 H new ATOM 1186 N LEU A 80 1.682 -12.942 1.749 1.00 0.00 N ATOM 1187 CA LEU A 80 1.135 -14.294 1.793 1.00 0.00 C ATOM 1188 C LEU A 80 -0.191 -14.320 2.546 1.00 0.00 C ATOM 1189 O LEU A 80 -0.230 -14.131 3.762 1.00 0.00 O ATOM 1190 CB LEU A 80 2.131 -15.247 2.458 1.00 0.00 C ATOM 1191 CG LEU A 80 1.710 -16.715 2.529 1.00 0.00 C ATOM 1192 CD1 LEU A 80 1.715 -17.339 1.142 1.00 0.00 C ATOM 1193 CD2 LEU A 80 2.625 -17.488 3.467 1.00 0.00 C ATOM 0 H LEU A 80 2.184 -12.663 2.592 1.00 0.00 H new ATOM 0 HA LEU A 80 0.957 -14.621 0.769 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.076 -15.187 1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.319 -14.894 3.472 1.00 0.00 H new ATOM 0 HG LEU A 80 0.695 -16.763 2.923 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.413 -18.384 1.212 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.018 -16.802 0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.718 -17.279 0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.310 -18.531 3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.651 -17.432 3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.571 -17.056 4.466 1.00 0.00 H new ATOM 1205 N ILE A 81 -1.275 -14.558 1.816 1.00 0.00 N ATOM 1206 CA ILE A 81 -2.603 -14.612 2.416 1.00 0.00 C ATOM 1207 C ILE A 81 -3.006 -16.049 2.729 1.00 0.00 C ATOM 1208 O ILE A 81 -3.282 -16.837 1.825 1.00 0.00 O ATOM 1209 CB ILE A 81 -3.664 -13.983 1.493 1.00 0.00 C ATOM 1210 CG1 ILE A 81 -3.243 -12.569 1.086 1.00 0.00 C ATOM 1211 CG2 ILE A 81 -5.019 -13.960 2.183 1.00 0.00 C ATOM 1212 CD1 ILE A 81 -3.355 -11.559 2.206 1.00 0.00 C ATOM 0 H ILE A 81 -1.260 -14.717 0.809 1.00 0.00 H new ATOM 0 HA ILE A 81 -2.554 -14.040 3.343 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.747 -14.591 0.592 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.213 -12.593 0.731 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.860 -12.242 0.249 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.758 -13.513 1.518 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -5.320 -14.979 2.428 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -4.951 -13.372 3.098 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.040 -10.580 1.846 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.389 -11.506 2.546 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -2.716 -11.863 3.035 1.00 0.00 H new ATOM 1224 N GLU A 82 -3.039 -16.382 4.016 1.00 0.00 N ATOM 1225 CA GLU A 82 -3.409 -17.724 4.448 1.00 0.00 C ATOM 1226 C GLU A 82 -4.832 -17.745 4.999 1.00 0.00 C ATOM 1227 O GLU A 82 -5.371 -16.713 5.397 1.00 0.00 O ATOM 1228 CB GLU A 82 -2.432 -18.230 5.511 1.00 0.00 C ATOM 1229 CG GLU A 82 -0.975 -17.951 5.181 1.00 0.00 C ATOM 1230 CD GLU A 82 -0.501 -16.614 5.718 1.00 0.00 C ATOM 1231 OE1 GLU A 82 -1.319 -15.672 5.771 1.00 0.00 O ATOM 1232 OE2 GLU A 82 0.688 -16.511 6.085 1.00 0.00 O ATOM 0 H GLU A 82 -2.814 -15.741 4.777 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.363 -18.382 3.580 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.675 -17.765 6.466 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.568 -19.304 5.636 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.354 -18.745 5.595 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.841 -17.972 4.100 1.00 0.00 H new ATOM 1239 N GLY A 83 -5.436 -18.929 5.017 1.00 0.00 N ATOM 1240 CA GLY A 83 -6.791 -19.063 5.520 1.00 0.00 C ATOM 1241 C GLY A 83 -7.822 -19.082 4.409 1.00 0.00 C ATOM 1242 O GLY A 83 -8.823 -18.367 4.468 1.00 0.00 O ATOM 0 H GLY A 83 -5.011 -19.798 4.692 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.870 -19.982 6.101 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.007 -18.237 6.198 1.00 0.00 H new ATOM 1246 N LEU A 84 -7.579 -19.902 3.392 1.00 0.00 N ATOM 1247 CA LEU A 84 -8.494 -20.010 2.261 1.00 0.00 C ATOM 1248 C LEU A 84 -9.004 -21.440 2.109 1.00 0.00 C ATOM 1249 O LEU A 84 -8.532 -22.353 2.786 1.00 0.00 O ATOM 1250 CB LEU A 84 -7.798 -19.566 0.973 1.00 0.00 C ATOM 1251 CG LEU A 84 -7.084 -18.215 1.028 1.00 0.00 C ATOM 1252 CD1 LEU A 84 -5.940 -18.175 0.027 1.00 0.00 C ATOM 1253 CD2 LEU A 84 -8.064 -17.081 0.766 1.00 0.00 C ATOM 0 H LEU A 84 -6.756 -20.502 3.328 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.346 -19.357 2.450 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.070 -20.328 0.696 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.541 -19.530 0.176 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.670 -18.086 2.028 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.444 -17.206 0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.224 -18.963 0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.331 -18.327 -0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.537 -16.128 0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.509 -17.205 -0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.849 -17.096 1.522 1.00 0.00 H new ATOM 1265 N ASP A 85 -9.970 -21.625 1.216 1.00 0.00 N ATOM 1266 CA ASP A 85 -10.543 -22.944 0.972 1.00 0.00 C ATOM 1267 C ASP A 85 -10.102 -23.486 -0.384 1.00 0.00 C ATOM 1268 O ASP A 85 -9.892 -22.725 -1.329 1.00 0.00 O ATOM 1269 CB ASP A 85 -12.070 -22.880 1.038 1.00 0.00 C ATOM 1270 CG ASP A 85 -12.587 -22.836 2.462 1.00 0.00 C ATOM 1271 OD1 ASP A 85 -12.027 -22.069 3.273 1.00 0.00 O ATOM 1272 OD2 ASP A 85 -13.551 -23.569 2.767 1.00 0.00 O ATOM 0 H ASP A 85 -10.373 -20.879 0.649 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.182 -23.619 1.748 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.417 -21.997 0.501 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -12.489 -23.748 0.529 1.00 0.00 H new ATOM 1277 N ARG A 86 -9.963 -24.805 -0.471 1.00 0.00 N ATOM 1278 CA ARG A 86 -9.544 -25.448 -1.710 1.00 0.00 C ATOM 1279 C ARG A 86 -10.652 -25.383 -2.758 1.00 0.00 C ATOM 1280 O ARG A 86 -11.822 -25.192 -2.428 1.00 0.00 O ATOM 1281 CB ARG A 86 -9.160 -26.906 -1.449 1.00 0.00 C ATOM 1282 CG ARG A 86 -10.235 -27.698 -0.723 1.00 0.00 C ATOM 1283 CD ARG A 86 -9.797 -29.133 -0.473 1.00 0.00 C ATOM 1284 NE ARG A 86 -10.471 -29.718 0.682 1.00 0.00 N ATOM 1285 CZ ARG A 86 -10.247 -30.953 1.117 1.00 0.00 C ATOM 1286 NH1 ARG A 86 -9.370 -31.729 0.494 1.00 0.00 N ATOM 1287 NH2 ARG A 86 -10.901 -31.414 2.175 1.00 0.00 N ATOM 0 H ARG A 86 -10.134 -25.449 0.302 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.674 -24.913 -2.091 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.943 -27.392 -2.400 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.242 -26.932 -0.861 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.464 -27.216 0.227 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.152 -27.694 -1.312 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.006 -29.735 -1.358 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.719 -29.161 -0.316 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.152 -29.147 1.183 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.866 -31.378 -0.320 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -9.199 -32.677 0.829 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -11.577 -30.820 2.655 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.728 -32.362 2.508 1.00 0.00 H new ATOM 1301 N GLY A 87 -10.274 -25.543 -4.023 1.00 0.00 N ATOM 1302 CA GLY A 87 -11.246 -25.498 -5.099 1.00 0.00 C ATOM 1303 C GLY A 87 -12.214 -24.340 -4.958 1.00 0.00 C ATOM 1304 O GLY A 87 -13.430 -24.534 -4.937 1.00 0.00 O ATOM 0 H GLY A 87 -9.312 -25.703 -4.321 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.724 -25.417 -6.053 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -11.804 -26.434 -5.119 1.00 0.00 H new ATOM 1308 N THR A 88 -11.674 -23.128 -4.860 1.00 0.00 N ATOM 1309 CA THR A 88 -12.497 -21.934 -4.718 1.00 0.00 C ATOM 1310 C THR A 88 -11.795 -20.711 -5.295 1.00 0.00 C ATOM 1311 O THR A 88 -10.722 -20.325 -4.834 1.00 0.00 O ATOM 1312 CB THR A 88 -12.845 -21.664 -3.242 1.00 0.00 C ATOM 1313 OG1 THR A 88 -13.296 -22.870 -2.616 1.00 0.00 O ATOM 1314 CG2 THR A 88 -13.920 -20.594 -3.126 1.00 0.00 C ATOM 0 H THR A 88 -10.670 -22.949 -4.876 1.00 0.00 H new ATOM 0 HA THR A 88 -13.417 -22.116 -5.273 1.00 0.00 H new ATOM 0 HB THR A 88 -11.945 -21.309 -2.739 1.00 0.00 H new ATOM 0 HG1 THR A 88 -12.547 -23.497 -2.536 1.00 0.00 H new ATOM 0 HG21 THR A 88 -14.149 -20.421 -2.074 1.00 0.00 H new ATOM 0 HG22 THR A 88 -13.562 -19.668 -3.577 1.00 0.00 H new ATOM 0 HG23 THR A 88 -14.820 -20.925 -3.643 1.00 0.00 H new ATOM 1322 N GLU A 89 -12.410 -20.104 -6.306 1.00 0.00 N ATOM 1323 CA GLU A 89 -11.842 -18.923 -6.946 1.00 0.00 C ATOM 1324 C GLU A 89 -11.836 -17.735 -5.989 1.00 0.00 C ATOM 1325 O GLU A 89 -12.824 -17.473 -5.301 1.00 0.00 O ATOM 1326 CB GLU A 89 -12.631 -18.570 -8.209 1.00 0.00 C ATOM 1327 CG GLU A 89 -12.147 -17.304 -8.895 1.00 0.00 C ATOM 1328 CD GLU A 89 -13.107 -16.816 -9.963 1.00 0.00 C ATOM 1329 OE1 GLU A 89 -13.636 -17.661 -10.715 1.00 0.00 O ATOM 1330 OE2 GLU A 89 -13.329 -15.590 -10.046 1.00 0.00 O ATOM 0 H GLU A 89 -13.300 -20.410 -6.699 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.812 -19.151 -7.221 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.567 -19.401 -8.911 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -13.683 -18.453 -7.949 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.010 -16.521 -8.149 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.172 -17.489 -9.345 1.00 0.00 H new ATOM 1337 N TYR A 90 -10.717 -17.020 -5.949 1.00 0.00 N ATOM 1338 CA TYR A 90 -10.581 -15.862 -5.074 1.00 0.00 C ATOM 1339 C TYR A 90 -10.044 -14.658 -5.842 1.00 0.00 C ATOM 1340 O TYR A 90 -9.280 -14.807 -6.795 1.00 0.00 O ATOM 1341 CB TYR A 90 -9.654 -16.188 -3.902 1.00 0.00 C ATOM 1342 CG TYR A 90 -10.252 -17.158 -2.908 1.00 0.00 C ATOM 1343 CD1 TYR A 90 -11.246 -16.754 -2.025 1.00 0.00 C ATOM 1344 CD2 TYR A 90 -9.823 -18.478 -2.852 1.00 0.00 C ATOM 1345 CE1 TYR A 90 -11.795 -17.637 -1.115 1.00 0.00 C ATOM 1346 CE2 TYR A 90 -10.367 -19.368 -1.947 1.00 0.00 C ATOM 1347 CZ TYR A 90 -11.352 -18.943 -1.080 1.00 0.00 C ATOM 1348 OH TYR A 90 -11.897 -19.826 -0.176 1.00 0.00 O ATOM 0 H TYR A 90 -9.891 -17.222 -6.512 1.00 0.00 H new ATOM 0 HA TYR A 90 -11.569 -15.612 -4.688 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.725 -16.605 -4.290 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.397 -15.263 -3.385 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -11.595 -15.732 -2.050 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -9.051 -18.814 -3.528 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -12.566 -17.307 -0.435 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -10.023 -20.391 -1.918 1.00 0.00 H new ATOM 0 HH TYR A 90 -12.826 -19.574 0.008 1.00 0.00 H new ATOM 1358 N ASN A 91 -10.448 -13.465 -5.419 1.00 0.00 N ATOM 1359 CA ASN A 91 -10.008 -12.235 -6.067 1.00 0.00 C ATOM 1360 C ASN A 91 -9.100 -11.429 -5.143 1.00 0.00 C ATOM 1361 O ASN A 91 -9.231 -11.488 -3.920 1.00 0.00 O ATOM 1362 CB ASN A 91 -11.216 -11.390 -6.477 1.00 0.00 C ATOM 1363 CG ASN A 91 -11.773 -11.796 -7.828 1.00 0.00 C ATOM 1364 OD1 ASN A 91 -11.833 -13.099 -8.076 1.00 0.00 O flip ATOM 1365 ND2 ASN A 91 -12.145 -10.947 -8.639 1.00 0.00 N flip ATOM 0 H ASN A 91 -11.079 -13.324 -4.630 1.00 0.00 H new ATOM 0 HA ASN A 91 -9.442 -12.505 -6.959 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -11.996 -11.485 -5.722 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -10.928 -10.339 -6.507 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -12.081 -9.956 -8.406 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -12.518 -11.235 -9.544 1.00 0.00 H new ATOM 1372 N PHE A 92 -8.181 -10.675 -5.736 1.00 0.00 N ATOM 1373 CA PHE A 92 -7.250 -9.857 -4.967 1.00 0.00 C ATOM 1374 C PHE A 92 -6.959 -8.543 -5.686 1.00 0.00 C ATOM 1375 O PHE A 92 -7.005 -8.472 -6.915 1.00 0.00 O ATOM 1376 CB PHE A 92 -5.946 -10.620 -4.727 1.00 0.00 C ATOM 1377 CG PHE A 92 -6.138 -11.923 -4.006 1.00 0.00 C ATOM 1378 CD1 PHE A 92 -6.738 -12.999 -4.640 1.00 0.00 C ATOM 1379 CD2 PHE A 92 -5.718 -12.072 -2.694 1.00 0.00 C ATOM 1380 CE1 PHE A 92 -6.916 -14.200 -3.979 1.00 0.00 C ATOM 1381 CE2 PHE A 92 -5.892 -13.271 -2.028 1.00 0.00 C ATOM 1382 CZ PHE A 92 -6.493 -14.336 -2.671 1.00 0.00 C ATOM 0 H PHE A 92 -8.061 -10.613 -6.747 1.00 0.00 H new ATOM 0 HA PHE A 92 -7.712 -9.630 -4.006 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.465 -10.812 -5.686 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.267 -9.991 -4.150 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -7.071 -12.898 -5.663 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -5.249 -11.242 -2.186 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -7.385 -15.031 -4.485 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.558 -13.375 -1.006 1.00 0.00 H new ATOM 0 HZ PHE A 92 -6.632 -15.273 -2.152 1.00 0.00 H new ATOM 1392 N ARG A 93 -6.660 -7.505 -4.912 1.00 0.00 N ATOM 1393 CA ARG A 93 -6.363 -6.193 -5.474 1.00 0.00 C ATOM 1394 C ARG A 93 -5.241 -5.510 -4.697 1.00 0.00 C ATOM 1395 O ARG A 93 -5.289 -5.416 -3.471 1.00 0.00 O ATOM 1396 CB ARG A 93 -7.615 -5.314 -5.460 1.00 0.00 C ATOM 1397 CG ARG A 93 -7.978 -4.791 -4.080 1.00 0.00 C ATOM 1398 CD ARG A 93 -9.262 -3.977 -4.112 1.00 0.00 C ATOM 1399 NE ARG A 93 -9.292 -3.047 -5.237 1.00 0.00 N ATOM 1400 CZ ARG A 93 -10.401 -2.466 -5.682 1.00 0.00 C ATOM 1401 NH1 ARG A 93 -11.565 -2.718 -5.098 1.00 0.00 N ATOM 1402 NH2 ARG A 93 -10.347 -1.631 -6.711 1.00 0.00 N ATOM 0 H ARG A 93 -6.617 -7.547 -3.894 1.00 0.00 H new ATOM 0 HA ARG A 93 -6.036 -6.332 -6.504 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -7.462 -4.469 -6.131 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -8.455 -5.886 -5.855 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.094 -5.628 -3.392 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.164 -4.174 -3.698 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -10.117 -4.650 -4.175 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -9.362 -3.421 -3.180 1.00 0.00 H new ATOM 0 HE ARG A 93 -8.413 -2.831 -5.707 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -11.610 -3.359 -4.306 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -12.415 -2.271 -5.441 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -9.453 -1.434 -7.162 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -11.199 -1.186 -7.052 1.00 0.00 H new ATOM 1416 N VAL A 94 -4.232 -5.036 -5.420 1.00 0.00 N ATOM 1417 CA VAL A 94 -3.098 -4.362 -4.800 1.00 0.00 C ATOM 1418 C VAL A 94 -3.108 -2.869 -5.111 1.00 0.00 C ATOM 1419 O VAL A 94 -3.194 -2.468 -6.271 1.00 0.00 O ATOM 1420 CB VAL A 94 -1.760 -4.964 -5.271 1.00 0.00 C ATOM 1421 CG1 VAL A 94 -0.594 -4.300 -4.555 1.00 0.00 C ATOM 1422 CG2 VAL A 94 -1.746 -6.469 -5.049 1.00 0.00 C ATOM 0 H VAL A 94 -4.177 -5.106 -6.436 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.194 -4.507 -3.724 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.653 -4.776 -6.339 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.342 -4.738 -4.901 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.596 -3.231 -4.770 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.692 -4.454 -3.480 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.794 -6.878 -5.387 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -1.876 -6.681 -3.988 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.558 -6.928 -5.613 1.00 0.00 H new ATOM 1432 N ALA A 95 -3.020 -2.052 -4.067 1.00 0.00 N ATOM 1433 CA ALA A 95 -3.017 -0.603 -4.229 1.00 0.00 C ATOM 1434 C ALA A 95 -1.896 0.037 -3.417 1.00 0.00 C ATOM 1435 O ALA A 95 -1.535 -0.451 -2.347 1.00 0.00 O ATOM 1436 CB ALA A 95 -4.364 -0.024 -3.822 1.00 0.00 C ATOM 0 H ALA A 95 -2.950 -2.369 -3.100 1.00 0.00 H new ATOM 0 HA ALA A 95 -2.841 -0.379 -5.281 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.348 1.059 -3.948 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.148 -0.450 -4.448 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.563 -0.265 -2.778 1.00 0.00 H new ATOM 1442 N ALA A 96 -1.349 1.133 -3.934 1.00 0.00 N ATOM 1443 CA ALA A 96 -0.270 1.841 -3.256 1.00 0.00 C ATOM 1444 C ALA A 96 -0.819 2.916 -2.325 1.00 0.00 C ATOM 1445 O ALA A 96 -1.794 3.595 -2.650 1.00 0.00 O ATOM 1446 CB ALA A 96 0.679 2.456 -4.274 1.00 0.00 C ATOM 0 H ALA A 96 -1.636 1.549 -4.820 1.00 0.00 H new ATOM 0 HA ALA A 96 0.281 1.120 -2.651 1.00 0.00 H new ATOM 0 HB1 ALA A 96 1.480 2.982 -3.754 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.106 1.669 -4.896 1.00 0.00 H new ATOM 0 HB3 ALA A 96 0.132 3.159 -4.903 1.00 0.00 H new ATOM 1452 N LEU A 97 -0.189 3.065 -1.165 1.00 0.00 N ATOM 1453 CA LEU A 97 -0.616 4.058 -0.185 1.00 0.00 C ATOM 1454 C LEU A 97 0.520 5.022 0.143 1.00 0.00 C ATOM 1455 O LEU A 97 1.658 4.607 0.365 1.00 0.00 O ATOM 1456 CB LEU A 97 -1.099 3.369 1.092 1.00 0.00 C ATOM 1457 CG LEU A 97 -2.197 2.320 0.914 1.00 0.00 C ATOM 1458 CD1 LEU A 97 -2.132 1.285 2.027 1.00 0.00 C ATOM 1459 CD2 LEU A 97 -3.566 2.982 0.879 1.00 0.00 C ATOM 0 H LEU A 97 0.619 2.511 -0.880 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.439 4.628 -0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.243 2.893 1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.463 4.134 1.778 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.037 1.812 -0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.921 0.547 1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.162 0.788 2.006 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.267 1.777 2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.335 2.220 0.752 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.736 3.517 1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.609 3.684 0.046 1.00 0.00 H new ATOM 1471 N THR A 98 0.204 6.313 0.174 1.00 0.00 N ATOM 1472 CA THR A 98 1.197 7.337 0.475 1.00 0.00 C ATOM 1473 C THR A 98 0.685 8.304 1.536 1.00 0.00 C ATOM 1474 O THR A 98 -0.472 8.227 1.953 1.00 0.00 O ATOM 1475 CB THR A 98 1.583 8.133 -0.785 1.00 0.00 C ATOM 1476 OG1 THR A 98 0.412 8.696 -1.387 1.00 0.00 O ATOM 1477 CG2 THR A 98 2.298 7.242 -1.790 1.00 0.00 C ATOM 0 H THR A 98 -0.733 6.674 -0.006 1.00 0.00 H new ATOM 0 HA THR A 98 2.079 6.820 0.853 1.00 0.00 H new ATOM 0 HB THR A 98 2.259 8.935 -0.488 1.00 0.00 H new ATOM 0 HG1 THR A 98 0.569 9.643 -1.586 1.00 0.00 H new ATOM 0 HG21 THR A 98 2.561 7.826 -2.672 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.204 6.839 -1.338 1.00 0.00 H new ATOM 0 HG23 THR A 98 1.642 6.422 -2.081 1.00 0.00 H new ATOM 1485 N ILE A 99 1.551 9.213 1.969 1.00 0.00 N ATOM 1486 CA ILE A 99 1.185 10.197 2.981 1.00 0.00 C ATOM 1487 C ILE A 99 -0.075 10.956 2.578 1.00 0.00 C ATOM 1488 O ILE A 99 -0.895 11.309 3.424 1.00 0.00 O ATOM 1489 CB ILE A 99 2.323 11.205 3.224 1.00 0.00 C ATOM 1490 CG1 ILE A 99 1.935 12.188 4.330 1.00 0.00 C ATOM 1491 CG2 ILE A 99 2.654 11.950 1.939 1.00 0.00 C ATOM 1492 CD1 ILE A 99 2.237 11.680 5.723 1.00 0.00 C ATOM 0 H ILE A 99 2.512 9.289 1.635 1.00 0.00 H new ATOM 0 HA ILE A 99 0.996 9.647 3.903 1.00 0.00 H new ATOM 0 HB ILE A 99 3.210 10.659 3.544 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.464 13.128 4.172 1.00 0.00 H new ATOM 0 HG13 ILE A 99 0.870 12.406 4.254 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.460 12.659 2.127 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.968 11.238 1.176 1.00 0.00 H new ATOM 0 HG23 ILE A 99 1.771 12.488 1.593 1.00 0.00 H new ATOM 0 HD11 ILE A 99 1.936 12.428 6.456 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.687 10.756 5.901 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.306 11.489 5.817 1.00 0.00 H new ATOM 1504 N ASN A 100 -0.222 11.202 1.281 1.00 0.00 N ATOM 1505 CA ASN A 100 -1.383 11.918 0.765 1.00 0.00 C ATOM 1506 C ASN A 100 -2.675 11.191 1.125 1.00 0.00 C ATOM 1507 O ASN A 100 -3.748 11.791 1.162 1.00 0.00 O ATOM 1508 CB ASN A 100 -1.279 12.074 -0.753 1.00 0.00 C ATOM 1509 CG ASN A 100 -0.433 13.267 -1.155 1.00 0.00 C ATOM 1510 OD1 ASN A 100 -0.951 14.359 -1.388 1.00 0.00 O ATOM 1511 ND2 ASN A 100 0.876 13.061 -1.239 1.00 0.00 N ATOM 0 H ASN A 100 0.448 10.916 0.567 1.00 0.00 H new ATOM 0 HA ASN A 100 -1.403 12.906 1.225 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -0.850 11.167 -1.180 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -2.279 12.183 -1.174 1.00 0.00 H new ATOM 0 HD21 ASN A 100 1.496 13.825 -1.506 1.00 0.00 H new ATOM 0 HD22 ASN A 100 1.261 12.138 -1.037 1.00 0.00 H new ATOM 1518 N GLY A 101 -2.563 9.893 1.391 1.00 0.00 N ATOM 1519 CA GLY A 101 -3.729 9.105 1.746 1.00 0.00 C ATOM 1520 C GLY A 101 -3.694 7.714 1.144 1.00 0.00 C ATOM 1521 O GLY A 101 -2.973 6.839 1.625 1.00 0.00 O ATOM 0 H GLY A 101 -1.686 9.373 1.367 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.794 9.026 2.831 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.628 9.621 1.409 1.00 0.00 H new ATOM 1525 N THR A 102 -4.476 7.507 0.089 1.00 0.00 N ATOM 1526 CA THR A 102 -4.533 6.212 -0.577 1.00 0.00 C ATOM 1527 C THR A 102 -4.188 6.339 -2.057 1.00 0.00 C ATOM 1528 O THR A 102 -4.072 7.445 -2.584 1.00 0.00 O ATOM 1529 CB THR A 102 -5.927 5.571 -0.440 1.00 0.00 C ATOM 1530 OG1 THR A 102 -6.932 6.479 -0.906 1.00 0.00 O ATOM 1531 CG2 THR A 102 -6.209 5.194 1.006 1.00 0.00 C ATOM 0 H THR A 102 -5.079 8.220 -0.322 1.00 0.00 H new ATOM 0 HA THR A 102 -3.797 5.573 -0.089 1.00 0.00 H new ATOM 0 HB THR A 102 -5.947 4.665 -1.046 1.00 0.00 H new ATOM 0 HG1 THR A 102 -7.815 6.063 -0.817 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.199 4.743 1.078 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.460 4.481 1.349 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.171 6.088 1.629 1.00 0.00 H new ATOM 1539 N GLY A 103 -4.027 5.200 -2.722 1.00 0.00 N ATOM 1540 CA GLY A 103 -3.698 5.206 -4.136 1.00 0.00 C ATOM 1541 C GLY A 103 -4.610 4.309 -4.948 1.00 0.00 C ATOM 1542 O GLY A 103 -5.596 3.770 -4.444 1.00 0.00 O ATOM 0 H GLY A 103 -4.118 4.273 -2.307 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.764 6.225 -4.517 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.665 4.883 -4.267 1.00 0.00 H new ATOM 1546 N PRO A 104 -4.284 4.138 -6.238 1.00 0.00 N ATOM 1547 CA PRO A 104 -5.069 3.301 -7.149 1.00 0.00 C ATOM 1548 C PRO A 104 -4.949 1.816 -6.821 1.00 0.00 C ATOM 1549 O PRO A 104 -4.046 1.403 -6.094 1.00 0.00 O ATOM 1550 CB PRO A 104 -4.456 3.597 -8.520 1.00 0.00 C ATOM 1551 CG PRO A 104 -3.062 4.032 -8.226 1.00 0.00 C ATOM 1552 CD PRO A 104 -3.122 4.750 -6.906 1.00 0.00 C ATOM 0 HA PRO A 104 -6.135 3.520 -7.087 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -4.469 2.714 -9.158 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -5.012 4.376 -9.042 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -2.389 3.176 -8.175 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -2.684 4.688 -9.010 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -2.207 4.610 -6.330 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -3.254 5.824 -7.038 1.00 0.00 H new ATOM 1560 N ALA A 105 -5.864 1.019 -7.362 1.00 0.00 N ATOM 1561 CA ALA A 105 -5.859 -0.419 -7.129 1.00 0.00 C ATOM 1562 C ALA A 105 -5.792 -1.189 -8.444 1.00 0.00 C ATOM 1563 O ALA A 105 -6.281 -0.723 -9.474 1.00 0.00 O ATOM 1564 CB ALA A 105 -7.091 -0.830 -6.336 1.00 0.00 C ATOM 0 H ALA A 105 -6.619 1.346 -7.965 1.00 0.00 H new ATOM 0 HA ALA A 105 -4.969 -0.665 -6.549 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -7.074 -1.907 -6.169 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.094 -0.314 -5.376 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -7.989 -0.563 -6.894 1.00 0.00 H new ATOM 1570 N THR A 106 -5.183 -2.370 -8.403 1.00 0.00 N ATOM 1571 CA THR A 106 -5.051 -3.203 -9.592 1.00 0.00 C ATOM 1572 C THR A 106 -6.353 -3.934 -9.898 1.00 0.00 C ATOM 1573 O THR A 106 -7.150 -4.205 -9.000 1.00 0.00 O ATOM 1574 CB THR A 106 -3.921 -4.236 -9.431 1.00 0.00 C ATOM 1575 OG1 THR A 106 -4.209 -5.111 -8.334 1.00 0.00 O ATOM 1576 CG2 THR A 106 -2.585 -3.546 -9.198 1.00 0.00 C ATOM 0 H THR A 106 -4.773 -2.771 -7.559 1.00 0.00 H new ATOM 0 HA THR A 106 -4.809 -2.537 -10.420 1.00 0.00 H new ATOM 0 HB THR A 106 -3.857 -4.816 -10.351 1.00 0.00 H new ATOM 0 HG1 THR A 106 -4.719 -5.883 -8.657 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.802 -4.296 -9.087 1.00 0.00 H new ATOM 0 HG22 THR A 106 -2.354 -2.904 -10.048 1.00 0.00 H new ATOM 0 HG23 THR A 106 -2.640 -2.943 -8.292 1.00 0.00 H new ATOM 1584 N ASP A 107 -6.562 -4.253 -11.171 1.00 0.00 N ATOM 1585 CA ASP A 107 -7.767 -4.955 -11.595 1.00 0.00 C ATOM 1586 C ASP A 107 -8.063 -6.134 -10.673 1.00 0.00 C ATOM 1587 O ASP A 107 -7.231 -6.512 -9.847 1.00 0.00 O ATOM 1588 CB ASP A 107 -7.617 -5.445 -13.036 1.00 0.00 C ATOM 1589 CG ASP A 107 -8.940 -5.870 -13.644 1.00 0.00 C ATOM 1590 OD1 ASP A 107 -9.736 -4.981 -14.013 1.00 0.00 O ATOM 1591 OD2 ASP A 107 -9.179 -7.091 -13.750 1.00 0.00 O ATOM 0 H ASP A 107 -5.912 -4.036 -11.927 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.602 -4.256 -11.541 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -7.180 -4.652 -13.643 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -6.923 -6.285 -13.061 1.00 0.00 H new ATOM 1596 N TRP A 108 -9.251 -6.709 -10.818 1.00 0.00 N ATOM 1597 CA TRP A 108 -9.656 -7.844 -9.997 1.00 0.00 C ATOM 1598 C TRP A 108 -9.095 -9.148 -10.555 1.00 0.00 C ATOM 1599 O TRP A 108 -9.661 -9.733 -11.480 1.00 0.00 O ATOM 1600 CB TRP A 108 -11.181 -7.924 -9.917 1.00 0.00 C ATOM 1601 CG TRP A 108 -11.768 -7.038 -8.860 1.00 0.00 C ATOM 1602 CD1 TRP A 108 -12.679 -6.037 -9.042 1.00 0.00 C ATOM 1603 CD2 TRP A 108 -11.481 -7.072 -7.458 1.00 0.00 C ATOM 1604 NE1 TRP A 108 -12.977 -5.447 -7.837 1.00 0.00 N ATOM 1605 CE2 TRP A 108 -12.256 -6.065 -6.849 1.00 0.00 C ATOM 1606 CE3 TRP A 108 -10.648 -7.857 -6.656 1.00 0.00 C ATOM 1607 CZ2 TRP A 108 -12.219 -5.823 -5.479 1.00 0.00 C ATOM 1608 CZ3 TRP A 108 -10.612 -7.616 -5.296 1.00 0.00 C ATOM 1609 CH2 TRP A 108 -11.394 -6.607 -4.718 1.00 0.00 C ATOM 0 H TRP A 108 -9.951 -6.408 -11.496 1.00 0.00 H new ATOM 0 HA TRP A 108 -9.254 -7.697 -8.995 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -11.603 -7.652 -10.884 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -11.474 -8.955 -9.720 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -13.103 -5.751 -9.993 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -13.629 -4.675 -7.700 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -10.043 -8.638 -7.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -12.820 -5.045 -5.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -9.970 -8.216 -4.668 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -11.345 -6.445 -3.651 1.00 0.00 H new ATOM 1620 N LEU A 109 -7.981 -9.598 -9.989 1.00 0.00 N ATOM 1621 CA LEU A 109 -7.344 -10.834 -10.430 1.00 0.00 C ATOM 1622 C LEU A 109 -7.926 -12.038 -9.697 1.00 0.00 C ATOM 1623 O LEU A 109 -7.815 -12.148 -8.476 1.00 0.00 O ATOM 1624 CB LEU A 109 -5.834 -10.763 -10.199 1.00 0.00 C ATOM 1625 CG LEU A 109 -4.967 -11.564 -11.171 1.00 0.00 C ATOM 1626 CD1 LEU A 109 -5.185 -11.087 -12.599 1.00 0.00 C ATOM 1627 CD2 LEU A 109 -3.498 -11.457 -10.790 1.00 0.00 C ATOM 0 H LEU A 109 -7.500 -9.126 -9.224 1.00 0.00 H new ATOM 0 HA LEU A 109 -7.537 -10.953 -11.496 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.528 -9.718 -10.248 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -5.625 -11.110 -9.187 1.00 0.00 H new ATOM 0 HG LEU A 109 -5.262 -12.612 -11.110 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.560 -11.669 -13.276 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.233 -11.217 -12.870 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.919 -10.033 -12.675 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.897 -12.033 -11.493 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.189 -10.412 -10.820 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.354 -11.849 -9.783 1.00 0.00 H new ATOM 1639 N SER A 110 -8.544 -12.942 -10.451 1.00 0.00 N ATOM 1640 CA SER A 110 -9.145 -14.138 -9.873 1.00 0.00 C ATOM 1641 C SER A 110 -8.208 -15.335 -10.007 1.00 0.00 C ATOM 1642 O SER A 110 -7.687 -15.612 -11.087 1.00 0.00 O ATOM 1643 CB SER A 110 -10.480 -14.443 -10.554 1.00 0.00 C ATOM 1644 OG SER A 110 -10.282 -15.059 -11.815 1.00 0.00 O ATOM 0 H SER A 110 -8.641 -12.869 -11.464 1.00 0.00 H new ATOM 0 HA SER A 110 -9.320 -13.952 -8.813 1.00 0.00 H new ATOM 0 HB2 SER A 110 -11.076 -15.096 -9.917 1.00 0.00 H new ATOM 0 HB3 SER A 110 -11.046 -13.520 -10.682 1.00 0.00 H new ATOM 0 HG SER A 110 -11.151 -15.245 -12.228 1.00 0.00 H new ATOM 1650 N ALA A 111 -7.998 -16.040 -8.900 1.00 0.00 N ATOM 1651 CA ALA A 111 -7.126 -17.208 -8.893 1.00 0.00 C ATOM 1652 C ALA A 111 -7.831 -18.415 -8.284 1.00 0.00 C ATOM 1653 O ALA A 111 -8.540 -18.293 -7.286 1.00 0.00 O ATOM 1654 CB ALA A 111 -5.843 -16.904 -8.132 1.00 0.00 C ATOM 0 H ALA A 111 -8.420 -15.823 -7.997 1.00 0.00 H new ATOM 0 HA ALA A 111 -6.874 -17.450 -9.926 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.201 -17.785 -8.135 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.323 -16.075 -8.612 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -6.085 -16.634 -7.104 1.00 0.00 H new ATOM 1660 N GLU A 112 -7.630 -19.581 -8.891 1.00 0.00 N ATOM 1661 CA GLU A 112 -8.248 -20.810 -8.408 1.00 0.00 C ATOM 1662 C GLU A 112 -7.247 -21.650 -7.622 1.00 0.00 C ATOM 1663 O GLU A 112 -6.159 -21.959 -8.109 1.00 0.00 O ATOM 1664 CB GLU A 112 -8.804 -21.622 -9.580 1.00 0.00 C ATOM 1665 CG GLU A 112 -9.885 -22.610 -9.177 1.00 0.00 C ATOM 1666 CD GLU A 112 -10.578 -23.236 -10.372 1.00 0.00 C ATOM 1667 OE1 GLU A 112 -10.578 -22.611 -11.453 1.00 0.00 O ATOM 1668 OE2 GLU A 112 -11.120 -24.352 -10.226 1.00 0.00 O ATOM 0 H GLU A 112 -7.044 -19.700 -9.718 1.00 0.00 H new ATOM 0 HA GLU A 112 -9.068 -20.537 -7.743 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -9.209 -20.938 -10.326 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -7.987 -22.164 -10.055 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -9.443 -23.396 -8.565 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -10.624 -22.102 -8.558 1.00 0.00 H new ATOM 1675 N THR A 113 -7.621 -22.018 -6.400 1.00 0.00 N ATOM 1676 CA THR A 113 -6.757 -22.820 -5.544 1.00 0.00 C ATOM 1677 C THR A 113 -6.703 -24.268 -6.020 1.00 0.00 C ATOM 1678 O THR A 113 -7.544 -24.705 -6.806 1.00 0.00 O ATOM 1679 CB THR A 113 -7.232 -22.791 -4.080 1.00 0.00 C ATOM 1680 OG1 THR A 113 -8.659 -22.677 -4.030 1.00 0.00 O ATOM 1681 CG2 THR A 113 -6.599 -21.630 -3.328 1.00 0.00 C ATOM 0 H THR A 113 -8.518 -21.772 -5.981 1.00 0.00 H new ATOM 0 HA THR A 113 -5.760 -22.383 -5.603 1.00 0.00 H new ATOM 0 HB THR A 113 -6.925 -23.722 -3.603 1.00 0.00 H new ATOM 0 HG1 THR A 113 -8.957 -22.706 -3.097 1.00 0.00 H new ATOM 0 HG21 THR A 113 -6.950 -21.630 -2.296 1.00 0.00 H new ATOM 0 HG22 THR A 113 -5.514 -21.735 -3.343 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.879 -20.691 -3.806 1.00 0.00 H new ATOM 1689 N PHE A 114 -5.709 -25.007 -5.539 1.00 0.00 N ATOM 1690 CA PHE A 114 -5.546 -26.406 -5.916 1.00 0.00 C ATOM 1691 C PHE A 114 -6.573 -27.284 -5.208 1.00 0.00 C ATOM 1692 O PHE A 114 -6.651 -27.298 -3.980 1.00 0.00 O ATOM 1693 CB PHE A 114 -4.131 -26.885 -5.581 1.00 0.00 C ATOM 1694 CG PHE A 114 -3.052 -26.010 -6.151 1.00 0.00 C ATOM 1695 CD1 PHE A 114 -2.866 -25.919 -7.521 1.00 0.00 C ATOM 1696 CD2 PHE A 114 -2.222 -25.279 -5.316 1.00 0.00 C ATOM 1697 CE1 PHE A 114 -1.874 -25.115 -8.048 1.00 0.00 C ATOM 1698 CE2 PHE A 114 -1.228 -24.472 -5.838 1.00 0.00 C ATOM 1699 CZ PHE A 114 -1.053 -24.391 -7.206 1.00 0.00 C ATOM 0 H PHE A 114 -5.005 -24.661 -4.888 1.00 0.00 H new ATOM 0 HA PHE A 114 -5.705 -26.487 -6.991 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -4.018 -26.929 -4.498 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.001 -27.900 -5.957 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -3.504 -26.483 -8.185 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -2.353 -25.340 -4.246 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -1.741 -25.053 -9.118 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -0.589 -23.905 -5.177 1.00 0.00 H new ATOM 0 HZ PHE A 114 -0.276 -23.763 -7.616 1.00 0.00 H new ATOM 1709 N GLU A 115 -7.360 -28.015 -5.992 1.00 0.00 N ATOM 1710 CA GLU A 115 -8.383 -28.894 -5.440 1.00 0.00 C ATOM 1711 C GLU A 115 -7.818 -29.740 -4.302 1.00 0.00 C ATOM 1712 O GLU A 115 -8.560 -30.233 -3.453 1.00 0.00 O ATOM 1713 CB GLU A 115 -8.950 -29.803 -6.532 1.00 0.00 C ATOM 1714 CG GLU A 115 -10.094 -29.177 -7.312 1.00 0.00 C ATOM 1715 CD GLU A 115 -10.241 -29.763 -8.703 1.00 0.00 C ATOM 1716 OE1 GLU A 115 -10.419 -30.994 -8.812 1.00 0.00 O ATOM 1717 OE2 GLU A 115 -10.178 -28.991 -9.682 1.00 0.00 O ATOM 0 H GLU A 115 -7.308 -28.015 -7.011 1.00 0.00 H new ATOM 0 HA GLU A 115 -9.185 -28.271 -5.043 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -8.151 -30.067 -7.225 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -9.297 -30.731 -6.077 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -11.024 -29.319 -6.762 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -9.930 -28.102 -7.390 1.00 0.00 H new ATOM 1724 N SER A 116 -6.499 -29.903 -4.293 1.00 0.00 N ATOM 1725 CA SER A 116 -5.834 -30.692 -3.263 1.00 0.00 C ATOM 1726 C SER A 116 -4.530 -30.029 -2.827 1.00 0.00 C ATOM 1727 O SER A 116 -3.789 -29.493 -3.651 1.00 0.00 O ATOM 1728 CB SER A 116 -5.553 -32.106 -3.775 1.00 0.00 C ATOM 1729 OG SER A 116 -6.729 -32.897 -3.758 1.00 0.00 O ATOM 0 H SER A 116 -5.870 -29.499 -4.987 1.00 0.00 H new ATOM 0 HA SER A 116 -6.498 -30.750 -2.401 1.00 0.00 H new ATOM 0 HB2 SER A 116 -5.158 -32.057 -4.790 1.00 0.00 H new ATOM 0 HB3 SER A 116 -4.787 -32.574 -3.157 1.00 0.00 H new ATOM 0 HG SER A 116 -7.509 -32.321 -3.618 1.00 0.00 H new