USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=28 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 98 THR OG1 : rot -9:sc= -1.68 USER MOD Set 1.2: A 100 ASN : amide:sc= 0 X(o=-1.7,f=-1.7) USER MOD Set 2.1: A 76 GLN :FLIP amide:sc= -0.971 F(o=-4,f=-2.7) USER MOD Set 2.2: A 79 GLN : amide:sc= -1.74 K(o=-2.7,f=-3.3) USER MOD Set 3.1: A 64 LYS NZ :NH3+ -125:sc= 0.156 (180deg=-1.51!) USER MOD Set 3.2: A 91 ASN : amide:sc= 0.498 K(o=0.65,f=-7.6!) USER MOD Set 4.1: A 38 HIS : no HD1:sc= -2.12! C(o=-1.5!,f=-4.3!) USER MOD Set 4.2: A 78 SER OG : rot -133:sc= 0.659 USER MOD Single : A 19 SER OG : rot 65:sc= 1.23 USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot 3:sc= 1.13 USER MOD Single : A 31 ASN : amide:sc= -0.338 K(o=-0.34,f=-1.1) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 140:sc= -1.68 USER MOD Single : A 36 MET CE :methyl -111:sc= -5.88! (180deg=-7.8!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 46 THR OG1 : rot 10:sc= 0.0548 USER MOD Single : A 47 GLN : amide:sc= -0.622 K(o=-0.62,f=-3.1!) USER MOD Single : A 48 ASN : amide:sc= -4.72! C(o=-4.7!,f=-11!) USER MOD Single : A 50 GLN : amide:sc= -5.87! C(o=-5.9!,f=-17!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 157:sc= -0.574 USER MOD Single : A 55 LYS NZ :NH3+ 142:sc= -0.58 (180deg=-1.79!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.0211) USER MOD Single : A 62 SER OG : rot 180:sc= 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 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -46:sc= 1.22 USER MOD Single : A 88 THR OG1 : rot 73:sc= 0.885 USER MOD Single : A 90 TYR OH : rot -60:sc= -0.276 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 97:sc= 0.65 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot -129:sc= 0.0837 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 200 N VAL A 17 -2.896 12.750 -4.907 1.00 0.00 N ATOM 201 CA VAL A 17 -2.699 11.336 -4.611 1.00 0.00 C ATOM 202 C VAL A 17 -1.886 10.654 -5.706 1.00 0.00 C ATOM 203 O VAL A 17 -1.876 11.078 -6.862 1.00 0.00 O ATOM 204 CB VAL A 17 -4.045 10.603 -4.454 1.00 0.00 C ATOM 205 CG1 VAL A 17 -4.668 10.914 -3.102 1.00 0.00 C ATOM 206 CG2 VAL A 17 -4.990 10.979 -5.585 1.00 0.00 C ATOM 0 HA VAL A 17 -2.152 11.282 -3.669 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.863 9.529 -4.504 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.618 10.388 -3.009 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.995 10.590 -2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.838 11.987 -3.018 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.936 10.452 -5.459 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.168 12.054 -5.568 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.544 10.700 -6.540 1.00 0.00 H new ATOM 216 N PRO A 18 -1.187 9.571 -5.335 1.00 0.00 N ATOM 217 CA PRO A 18 -0.358 8.805 -6.272 1.00 0.00 C ATOM 218 C PRO A 18 -1.193 8.039 -7.292 1.00 0.00 C ATOM 219 O PRO A 18 -1.479 6.856 -7.111 1.00 0.00 O ATOM 220 CB PRO A 18 0.399 7.834 -5.362 1.00 0.00 C ATOM 221 CG PRO A 18 -0.471 7.682 -4.162 1.00 0.00 C ATOM 222 CD PRO A 18 -1.153 9.009 -3.975 1.00 0.00 C ATOM 0 HA PRO A 18 0.291 9.450 -6.864 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.564 6.876 -5.855 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.380 8.227 -5.093 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.201 6.885 -4.307 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.118 7.419 -3.284 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.156 8.891 -3.564 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.601 9.651 -3.289 1.00 0.00 H new ATOM 230 N SER A 19 -1.580 8.721 -8.365 1.00 0.00 N ATOM 231 CA SER A 19 -2.386 8.105 -9.413 1.00 0.00 C ATOM 232 C SER A 19 -1.554 7.120 -10.229 1.00 0.00 C ATOM 233 O SER A 19 -1.254 7.363 -11.397 1.00 0.00 O ATOM 234 CB SER A 19 -2.973 9.178 -10.332 1.00 0.00 C ATOM 235 OG SER A 19 -1.985 9.697 -11.206 1.00 0.00 O ATOM 0 H SER A 19 -1.349 9.700 -8.532 1.00 0.00 H new ATOM 0 HA SER A 19 -3.201 7.559 -8.937 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.792 8.755 -10.914 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.393 9.985 -9.732 1.00 0.00 H new ATOM 0 HG SER A 19 -1.681 8.990 -11.812 1.00 0.00 H new ATOM 241 N ALA A 20 -1.184 6.008 -9.603 1.00 0.00 N ATOM 242 CA ALA A 20 -0.388 4.985 -10.271 1.00 0.00 C ATOM 243 C ALA A 20 -0.314 3.713 -9.432 1.00 0.00 C ATOM 244 O ALA A 20 0.245 3.714 -8.335 1.00 0.00 O ATOM 245 CB ALA A 20 1.009 5.510 -10.562 1.00 0.00 C ATOM 0 H ALA A 20 -1.422 5.792 -8.635 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.875 4.739 -11.215 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.592 4.736 -11.061 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.941 6.386 -11.207 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.496 5.785 -9.627 1.00 0.00 H new ATOM 251 N ALA A 21 -0.881 2.631 -9.954 1.00 0.00 N ATOM 252 CA ALA A 21 -0.877 1.353 -9.253 1.00 0.00 C ATOM 253 C ALA A 21 0.316 0.500 -9.673 1.00 0.00 C ATOM 254 O ALA A 21 1.018 0.804 -10.638 1.00 0.00 O ATOM 255 CB ALA A 21 -2.177 0.606 -9.510 1.00 0.00 C ATOM 0 H ALA A 21 -1.349 2.614 -10.860 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.790 1.553 -8.185 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.160 -0.347 -8.980 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.016 1.204 -9.155 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.287 0.425 -10.579 1.00 0.00 H new ATOM 261 N PRO A 22 0.554 -0.592 -8.932 1.00 0.00 N ATOM 262 CA PRO A 22 1.662 -1.511 -9.208 1.00 0.00 C ATOM 263 C PRO A 22 1.449 -2.307 -10.491 1.00 0.00 C ATOM 264 O PRO A 22 0.314 -2.566 -10.890 1.00 0.00 O ATOM 265 CB PRO A 22 1.662 -2.443 -7.994 1.00 0.00 C ATOM 266 CG PRO A 22 0.262 -2.404 -7.487 1.00 0.00 C ATOM 267 CD PRO A 22 -0.242 -1.015 -7.767 1.00 0.00 C ATOM 0 HA PRO A 22 2.603 -0.981 -9.355 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.954 -3.456 -8.272 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.368 -2.105 -7.235 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -0.355 -3.151 -7.987 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.227 -2.624 -6.420 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.310 -1.012 -7.987 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.090 -0.353 -6.915 1.00 0.00 H new ATOM 275 N GLN A 23 2.548 -2.693 -11.132 1.00 0.00 N ATOM 276 CA GLN A 23 2.479 -3.460 -12.370 1.00 0.00 C ATOM 277 C GLN A 23 3.099 -4.842 -12.189 1.00 0.00 C ATOM 278 O GLN A 23 3.616 -5.166 -11.121 1.00 0.00 O ATOM 279 CB GLN A 23 3.192 -2.712 -13.498 1.00 0.00 C ATOM 280 CG GLN A 23 4.348 -1.848 -13.020 1.00 0.00 C ATOM 281 CD GLN A 23 4.986 -1.053 -14.142 1.00 0.00 C ATOM 282 OE1 GLN A 23 4.432 -0.950 -15.238 1.00 0.00 O ATOM 283 NE2 GLN A 23 6.156 -0.486 -13.875 1.00 0.00 N ATOM 0 H GLN A 23 3.495 -2.487 -10.815 1.00 0.00 H new ATOM 0 HA GLN A 23 1.429 -3.585 -12.633 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.565 -3.435 -14.223 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.470 -2.083 -14.018 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.991 -1.162 -12.252 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.103 -2.482 -12.555 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.578 -0.598 -12.953 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.633 0.061 -14.592 1.00 0.00 H new ATOM 292 N ASN A 24 3.042 -5.653 -13.241 1.00 0.00 N ATOM 293 CA ASN A 24 3.597 -7.001 -13.197 1.00 0.00 C ATOM 294 C ASN A 24 2.963 -7.814 -12.073 1.00 0.00 C ATOM 295 O ASN A 24 3.583 -8.726 -11.526 1.00 0.00 O ATOM 296 CB ASN A 24 5.114 -6.944 -13.008 1.00 0.00 C ATOM 297 CG ASN A 24 5.858 -6.832 -14.325 1.00 0.00 C ATOM 298 OD1 ASN A 24 6.469 -7.794 -14.789 1.00 0.00 O ATOM 299 ND2 ASN A 24 5.809 -5.652 -14.932 1.00 0.00 N ATOM 0 H ASN A 24 2.617 -5.400 -14.133 1.00 0.00 H new ATOM 0 HA ASN A 24 3.374 -7.490 -14.145 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.367 -6.092 -12.378 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.446 -7.839 -12.482 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.291 -5.515 -15.821 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.290 -4.882 -14.510 1.00 0.00 H new ATOM 306 N LEU A 25 1.723 -7.479 -11.735 1.00 0.00 N ATOM 307 CA LEU A 25 1.003 -8.178 -10.677 1.00 0.00 C ATOM 308 C LEU A 25 0.897 -9.669 -10.983 1.00 0.00 C ATOM 309 O LEU A 25 0.805 -10.069 -12.143 1.00 0.00 O ATOM 310 CB LEU A 25 -0.395 -7.581 -10.503 1.00 0.00 C ATOM 311 CG LEU A 25 -1.278 -8.238 -9.442 1.00 0.00 C ATOM 312 CD1 LEU A 25 -0.746 -7.944 -8.048 1.00 0.00 C ATOM 313 CD2 LEU A 25 -2.718 -7.763 -9.577 1.00 0.00 C ATOM 0 H LEU A 25 1.195 -6.727 -12.179 1.00 0.00 H new ATOM 0 HA LEU A 25 1.562 -8.055 -9.749 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.289 -6.525 -10.255 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.912 -7.633 -11.461 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.257 -9.317 -9.597 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.387 -8.420 -7.306 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.267 -8.334 -7.955 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.736 -6.867 -7.882 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.332 -8.241 -8.814 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.758 -6.681 -9.450 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.097 -8.026 -10.565 1.00 0.00 H new ATOM 325 N SER A 26 0.909 -10.485 -9.934 1.00 0.00 N ATOM 326 CA SER A 26 0.816 -11.932 -10.091 1.00 0.00 C ATOM 327 C SER A 26 0.418 -12.597 -8.777 1.00 0.00 C ATOM 328 O SER A 26 0.531 -11.999 -7.706 1.00 0.00 O ATOM 329 CB SER A 26 2.151 -12.500 -10.579 1.00 0.00 C ATOM 330 OG SER A 26 2.375 -12.177 -11.940 1.00 0.00 O ATOM 0 H SER A 26 0.982 -10.169 -8.967 1.00 0.00 H new ATOM 0 HA SER A 26 0.046 -12.143 -10.833 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.963 -12.104 -9.969 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.157 -13.583 -10.453 1.00 0.00 H new ATOM 0 HG SER A 26 1.639 -11.620 -12.269 1.00 0.00 H new ATOM 336 N LEU A 27 -0.049 -13.837 -8.866 1.00 0.00 N ATOM 337 CA LEU A 27 -0.465 -14.585 -7.685 1.00 0.00 C ATOM 338 C LEU A 27 0.080 -16.009 -7.722 1.00 0.00 C ATOM 339 O LEU A 27 -0.478 -16.879 -8.390 1.00 0.00 O ATOM 340 CB LEU A 27 -1.991 -14.613 -7.586 1.00 0.00 C ATOM 341 CG LEU A 27 -2.710 -13.308 -7.930 1.00 0.00 C ATOM 342 CD1 LEU A 27 -4.208 -13.539 -8.047 1.00 0.00 C ATOM 343 CD2 LEU A 27 -2.413 -12.244 -6.883 1.00 0.00 C ATOM 0 H LEU A 27 -0.149 -14.346 -9.744 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.059 -14.083 -6.806 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.364 -15.395 -8.247 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.264 -14.898 -6.570 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.341 -12.955 -8.893 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.703 -12.599 -8.292 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.403 -14.268 -8.833 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.593 -13.915 -7.099 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.933 -11.322 -7.144 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.754 -12.589 -5.907 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.340 -12.058 -6.848 1.00 0.00 H new ATOM 355 N GLU A 28 1.172 -16.239 -6.999 1.00 0.00 N ATOM 356 CA GLU A 28 1.790 -17.559 -6.949 1.00 0.00 C ATOM 357 C GLU A 28 1.125 -18.432 -5.889 1.00 0.00 C ATOM 358 O GLU A 28 1.569 -18.480 -4.741 1.00 0.00 O ATOM 359 CB GLU A 28 3.287 -17.434 -6.658 1.00 0.00 C ATOM 360 CG GLU A 28 4.048 -18.741 -6.812 1.00 0.00 C ATOM 361 CD GLU A 28 4.210 -19.154 -8.261 1.00 0.00 C ATOM 362 OE1 GLU A 28 3.217 -19.622 -8.859 1.00 0.00 O ATOM 363 OE2 GLU A 28 5.328 -19.012 -8.799 1.00 0.00 O ATOM 0 H GLU A 28 1.646 -15.529 -6.441 1.00 0.00 H new ATOM 0 HA GLU A 28 1.654 -18.033 -7.921 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.718 -16.691 -7.329 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.421 -17.062 -5.642 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.032 -18.640 -6.355 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.524 -19.528 -6.270 1.00 0.00 H new ATOM 370 N VAL A 29 0.058 -19.120 -6.281 1.00 0.00 N ATOM 371 CA VAL A 29 -0.668 -19.992 -5.366 1.00 0.00 C ATOM 372 C VAL A 29 0.273 -20.975 -4.679 1.00 0.00 C ATOM 373 O VAL A 29 0.778 -21.907 -5.305 1.00 0.00 O ATOM 374 CB VAL A 29 -1.771 -20.780 -6.097 1.00 0.00 C ATOM 375 CG1 VAL A 29 -2.535 -21.661 -5.121 1.00 0.00 C ATOM 376 CG2 VAL A 29 -2.713 -19.830 -6.821 1.00 0.00 C ATOM 0 H VAL A 29 -0.323 -19.090 -7.227 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.128 -19.349 -4.615 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.301 -21.425 -6.839 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.310 -22.210 -5.656 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.848 -22.366 -4.653 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.995 -21.039 -4.353 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.486 -20.404 -7.332 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.177 -19.158 -6.099 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.152 -19.247 -7.551 1.00 0.00 H new ATOM 386 N ARG A 30 0.505 -20.760 -3.389 1.00 0.00 N ATOM 387 CA ARG A 30 1.387 -21.627 -2.616 1.00 0.00 C ATOM 388 C ARG A 30 0.676 -22.920 -2.229 1.00 0.00 C ATOM 389 O ARG A 30 1.164 -24.015 -2.504 1.00 0.00 O ATOM 390 CB ARG A 30 1.875 -20.905 -1.359 1.00 0.00 C ATOM 391 CG ARG A 30 2.642 -19.625 -1.651 1.00 0.00 C ATOM 392 CD ARG A 30 4.132 -19.891 -1.805 1.00 0.00 C ATOM 393 NE ARG A 30 4.494 -20.196 -3.187 1.00 0.00 N ATOM 394 CZ ARG A 30 5.707 -20.589 -3.559 1.00 0.00 C ATOM 395 NH1 ARG A 30 6.669 -20.724 -2.657 1.00 0.00 N ATOM 396 NH2 ARG A 30 5.959 -20.847 -4.836 1.00 0.00 N ATOM 0 H ARG A 30 0.095 -19.993 -2.856 1.00 0.00 H new ATOM 0 HA ARG A 30 2.246 -21.877 -3.239 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.017 -20.669 -0.730 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.513 -21.579 -0.788 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.257 -19.169 -2.563 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.480 -18.910 -0.844 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.693 -19.019 -1.467 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.420 -20.723 -1.163 1.00 0.00 H new ATOM 0 HE ARG A 30 3.776 -20.102 -3.905 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.479 -20.526 -1.675 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.600 -21.026 -2.945 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.221 -20.744 -5.532 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.891 -21.149 -5.121 1.00 0.00 H new ATOM 410 N ASN A 31 -0.481 -22.784 -1.588 1.00 0.00 N ATOM 411 CA ASN A 31 -1.259 -23.941 -1.161 1.00 0.00 C ATOM 412 C ASN A 31 -2.746 -23.721 -1.419 1.00 0.00 C ATOM 413 O ASN A 31 -3.165 -22.630 -1.805 1.00 0.00 O ATOM 414 CB ASN A 31 -1.023 -24.221 0.324 1.00 0.00 C ATOM 415 CG ASN A 31 0.448 -24.378 0.657 1.00 0.00 C ATOM 416 OD1 ASN A 31 1.191 -25.046 -0.063 1.00 0.00 O ATOM 417 ND2 ASN A 31 0.876 -23.761 1.752 1.00 0.00 N ATOM 0 H ASN A 31 -0.900 -21.884 -1.353 1.00 0.00 H new ATOM 0 HA ASN A 31 -0.931 -24.803 -1.742 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -1.441 -23.407 0.915 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -1.556 -25.128 0.609 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.856 -23.830 2.026 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.225 -23.218 2.319 1.00 0.00 H new ATOM 424 N SER A 32 -3.540 -24.765 -1.201 1.00 0.00 N ATOM 425 CA SER A 32 -4.981 -24.687 -1.412 1.00 0.00 C ATOM 426 C SER A 32 -5.631 -23.762 -0.388 1.00 0.00 C ATOM 427 O SER A 32 -6.778 -23.345 -0.550 1.00 0.00 O ATOM 428 CB SER A 32 -5.606 -26.081 -1.327 1.00 0.00 C ATOM 429 OG SER A 32 -5.783 -26.479 0.022 1.00 0.00 O ATOM 0 H SER A 32 -3.210 -25.675 -0.878 1.00 0.00 H new ATOM 0 HA SER A 32 -5.156 -24.278 -2.407 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.568 -26.084 -1.839 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.969 -26.801 -1.841 1.00 0.00 H new ATOM 0 HG SER A 32 -6.185 -27.372 0.049 1.00 0.00 H new ATOM 435 N LYS A 33 -4.890 -23.446 0.668 1.00 0.00 N ATOM 436 CA LYS A 33 -5.391 -22.569 1.721 1.00 0.00 C ATOM 437 C LYS A 33 -4.509 -21.332 1.864 1.00 0.00 C ATOM 438 O LYS A 33 -4.676 -20.544 2.795 1.00 0.00 O ATOM 439 CB LYS A 33 -5.454 -23.321 3.052 1.00 0.00 C ATOM 440 CG LYS A 33 -4.090 -23.589 3.665 1.00 0.00 C ATOM 441 CD LYS A 33 -4.160 -23.637 5.182 1.00 0.00 C ATOM 442 CE LYS A 33 -2.847 -23.200 5.814 1.00 0.00 C ATOM 443 NZ LYS A 33 -1.923 -24.349 6.024 1.00 0.00 N ATOM 0 H LYS A 33 -3.939 -23.784 0.818 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.395 -22.247 1.445 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.053 -22.745 3.757 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.967 -24.270 2.899 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.700 -24.534 3.288 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.392 -22.811 3.357 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.966 -22.991 5.531 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.401 -24.650 5.504 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.366 -22.459 5.176 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.047 -22.716 6.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.040 -24.010 6.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.372 -25.045 6.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.711 -24.796 5.109 1.00 0.00 H new ATOM 457 N SER A 34 -3.572 -21.168 0.936 1.00 0.00 N ATOM 458 CA SER A 34 -2.663 -20.028 0.961 1.00 0.00 C ATOM 459 C SER A 34 -2.275 -19.612 -0.455 1.00 0.00 C ATOM 460 O SER A 34 -2.032 -20.457 -1.317 1.00 0.00 O ATOM 461 CB SER A 34 -1.408 -20.367 1.768 1.00 0.00 C ATOM 462 OG SER A 34 -1.613 -20.136 3.151 1.00 0.00 O ATOM 0 H SER A 34 -3.422 -21.810 0.158 1.00 0.00 H new ATOM 0 HA SER A 34 -3.178 -19.194 1.438 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.139 -21.411 1.606 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.571 -19.764 1.415 1.00 0.00 H new ATOM 0 HG SER A 34 -1.193 -20.854 3.668 1.00 0.00 H new ATOM 468 N ILE A 35 -2.219 -18.305 -0.686 1.00 0.00 N ATOM 469 CA ILE A 35 -1.859 -17.776 -1.996 1.00 0.00 C ATOM 470 C ILE A 35 -0.844 -16.645 -1.872 1.00 0.00 C ATOM 471 O ILE A 35 -1.095 -15.643 -1.204 1.00 0.00 O ATOM 472 CB ILE A 35 -3.097 -17.259 -2.753 1.00 0.00 C ATOM 473 CG1 ILE A 35 -4.018 -18.423 -3.123 1.00 0.00 C ATOM 474 CG2 ILE A 35 -2.674 -16.495 -3.999 1.00 0.00 C ATOM 475 CD1 ILE A 35 -5.364 -17.983 -3.656 1.00 0.00 C ATOM 0 H ILE A 35 -2.418 -17.593 0.017 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.416 -18.598 -2.558 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.646 -16.579 -2.102 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.524 -19.042 -3.872 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.171 -19.048 -2.243 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.559 -16.136 -4.524 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.053 -15.646 -3.712 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.106 -17.155 -4.655 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.964 -18.860 -3.898 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.878 -17.389 -2.901 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.221 -17.383 -4.554 1.00 0.00 H new ATOM 487 N MET A 36 0.303 -16.813 -2.522 1.00 0.00 N ATOM 488 CA MET A 36 1.356 -15.804 -2.487 1.00 0.00 C ATOM 489 C MET A 36 1.107 -14.723 -3.534 1.00 0.00 C ATOM 490 O MET A 36 0.829 -15.023 -4.696 1.00 0.00 O ATOM 491 CB MET A 36 2.721 -16.453 -2.722 1.00 0.00 C ATOM 492 CG MET A 36 3.887 -15.493 -2.554 1.00 0.00 C ATOM 493 SD MET A 36 4.520 -15.457 -0.866 1.00 0.00 S ATOM 494 CE MET A 36 3.954 -13.846 -0.326 1.00 0.00 C ATOM 0 H MET A 36 0.527 -17.638 -3.079 1.00 0.00 H new ATOM 0 HA MET A 36 1.348 -15.339 -1.501 1.00 0.00 H new ATOM 0 HB2 MET A 36 2.843 -17.285 -2.028 1.00 0.00 H new ATOM 0 HB3 MET A 36 2.747 -16.871 -3.728 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.690 -15.781 -3.233 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.571 -14.490 -2.841 1.00 0.00 H new ATOM 0 HE1 MET A 36 4.810 -13.183 -0.201 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.277 -13.429 -1.072 1.00 0.00 H new ATOM 0 HE3 MET A 36 3.430 -13.944 0.625 1.00 0.00 H new ATOM 504 N ILE A 37 1.209 -13.466 -3.115 1.00 0.00 N ATOM 505 CA ILE A 37 0.996 -12.341 -4.017 1.00 0.00 C ATOM 506 C ILE A 37 2.320 -11.701 -4.420 1.00 0.00 C ATOM 507 O ILE A 37 3.226 -11.554 -3.599 1.00 0.00 O ATOM 508 CB ILE A 37 0.094 -11.269 -3.377 1.00 0.00 C ATOM 509 CG1 ILE A 37 -0.985 -11.927 -2.516 1.00 0.00 C ATOM 510 CG2 ILE A 37 -0.538 -10.398 -4.453 1.00 0.00 C ATOM 511 CD1 ILE A 37 -1.992 -10.948 -1.955 1.00 0.00 C ATOM 0 H ILE A 37 1.438 -13.201 -2.157 1.00 0.00 H new ATOM 0 HA ILE A 37 0.502 -12.737 -4.904 1.00 0.00 H new ATOM 0 HB ILE A 37 0.707 -10.635 -2.736 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.510 -12.673 -3.113 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.507 -12.457 -1.692 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.173 -9.645 -3.985 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.245 -9.905 -5.029 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.140 -11.019 -5.116 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.727 -11.485 -1.355 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.479 -10.216 -1.331 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.497 -10.436 -2.774 1.00 0.00 H new ATOM 523 N HIS A 38 2.425 -11.320 -5.690 1.00 0.00 N ATOM 524 CA HIS A 38 3.638 -10.693 -6.202 1.00 0.00 C ATOM 525 C HIS A 38 3.300 -9.479 -7.063 1.00 0.00 C ATOM 526 O HIS A 38 2.684 -9.609 -8.121 1.00 0.00 O ATOM 527 CB HIS A 38 4.454 -11.698 -7.014 1.00 0.00 C ATOM 528 CG HIS A 38 4.836 -12.923 -6.242 1.00 0.00 C ATOM 529 ND1 HIS A 38 5.947 -12.982 -5.426 1.00 0.00 N ATOM 530 CD2 HIS A 38 4.248 -14.139 -6.162 1.00 0.00 C ATOM 531 CE1 HIS A 38 6.026 -14.182 -4.880 1.00 0.00 C ATOM 532 NE2 HIS A 38 5.007 -14.904 -5.310 1.00 0.00 N ATOM 0 H HIS A 38 1.685 -11.435 -6.382 1.00 0.00 H new ATOM 0 HA HIS A 38 4.232 -10.359 -5.351 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.879 -11.996 -7.891 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.359 -11.210 -7.376 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.349 -14.450 -6.673 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.794 -14.516 -4.198 1.00 0.00 H new ATOM 0 HE2 HIS A 38 4.815 -15.872 -5.052 1.00 0.00 H new ATOM 541 N TRP A 39 3.707 -8.302 -6.602 1.00 0.00 N ATOM 542 CA TRP A 39 3.446 -7.065 -7.331 1.00 0.00 C ATOM 543 C TRP A 39 4.689 -6.184 -7.369 1.00 0.00 C ATOM 544 O TRP A 39 5.564 -6.293 -6.511 1.00 0.00 O ATOM 545 CB TRP A 39 2.286 -6.305 -6.686 1.00 0.00 C ATOM 546 CG TRP A 39 2.623 -5.735 -5.342 1.00 0.00 C ATOM 547 CD1 TRP A 39 3.222 -4.534 -5.088 1.00 0.00 C ATOM 548 CD2 TRP A 39 2.383 -6.343 -4.068 1.00 0.00 C ATOM 549 NE1 TRP A 39 3.369 -4.359 -3.733 1.00 0.00 N ATOM 550 CE2 TRP A 39 2.861 -5.454 -3.085 1.00 0.00 C ATOM 551 CE3 TRP A 39 1.808 -7.550 -3.662 1.00 0.00 C ATOM 552 CZ2 TRP A 39 2.782 -5.738 -1.725 1.00 0.00 C ATOM 553 CZ3 TRP A 39 1.731 -7.830 -2.311 1.00 0.00 C ATOM 554 CH2 TRP A 39 2.215 -6.927 -1.355 1.00 0.00 C ATOM 0 H TRP A 39 4.218 -8.177 -5.728 1.00 0.00 H new ATOM 0 HA TRP A 39 3.176 -7.325 -8.355 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.978 -5.496 -7.349 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.433 -6.976 -6.584 1.00 0.00 H new ATOM 0 HD1 TRP A 39 3.534 -3.826 -5.841 1.00 0.00 H new ATOM 0 HE1 TRP A 39 3.788 -3.546 -3.283 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.430 -8.252 -4.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 3.155 -5.044 -0.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.290 -8.761 -1.986 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.139 -7.174 -0.306 1.00 0.00 H new ATOM 565 N GLN A 40 4.760 -5.311 -8.369 1.00 0.00 N ATOM 566 CA GLN A 40 5.898 -4.411 -8.517 1.00 0.00 C ATOM 567 C GLN A 40 5.465 -2.956 -8.366 1.00 0.00 C ATOM 568 O GLN A 40 4.321 -2.592 -8.639 1.00 0.00 O ATOM 569 CB GLN A 40 6.564 -4.618 -9.878 1.00 0.00 C ATOM 570 CG GLN A 40 7.129 -6.016 -10.073 1.00 0.00 C ATOM 571 CD GLN A 40 8.533 -6.161 -9.520 1.00 0.00 C ATOM 572 OE1 GLN A 40 9.442 -5.424 -9.904 1.00 0.00 O ATOM 573 NE2 GLN A 40 8.718 -7.113 -8.614 1.00 0.00 N ATOM 0 H GLN A 40 4.044 -5.208 -9.088 1.00 0.00 H new ATOM 0 HA GLN A 40 6.616 -4.641 -7.730 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.836 -4.417 -10.664 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.368 -3.891 -9.994 1.00 0.00 H new ATOM 0 HG2 GLN A 40 6.475 -6.739 -9.586 1.00 0.00 H new ATOM 0 HG3 GLN A 40 7.135 -6.256 -11.136 1.00 0.00 H new ATOM 0 HE21 GLN A 40 7.936 -7.701 -8.325 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.642 -7.257 -8.207 1.00 0.00 H new ATOM 582 N PRO A 41 6.399 -2.104 -7.921 1.00 0.00 N ATOM 583 CA PRO A 41 6.138 -0.675 -7.724 1.00 0.00 C ATOM 584 C PRO A 41 5.948 0.067 -9.042 1.00 0.00 C ATOM 585 O PRO A 41 6.575 -0.246 -10.054 1.00 0.00 O ATOM 586 CB PRO A 41 7.396 -0.179 -7.007 1.00 0.00 C ATOM 587 CG PRO A 41 8.464 -1.137 -7.410 1.00 0.00 C ATOM 588 CD PRO A 41 7.784 -2.468 -7.577 1.00 0.00 C ATOM 0 HA PRO A 41 5.218 -0.503 -7.166 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.645 0.840 -7.304 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.258 -0.171 -5.926 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.940 -0.823 -8.339 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.246 -1.191 -6.653 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.250 -3.061 -8.363 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.829 -3.059 -6.662 1.00 0.00 H new ATOM 596 N PRO A 42 5.064 1.076 -9.033 1.00 0.00 N ATOM 597 CA PRO A 42 4.773 1.884 -10.220 1.00 0.00 C ATOM 598 C PRO A 42 5.941 2.783 -10.611 1.00 0.00 C ATOM 599 O PRO A 42 6.894 2.944 -9.849 1.00 0.00 O ATOM 600 CB PRO A 42 3.571 2.728 -9.789 1.00 0.00 C ATOM 601 CG PRO A 42 3.677 2.809 -8.305 1.00 0.00 C ATOM 602 CD PRO A 42 4.281 1.505 -7.862 1.00 0.00 C ATOM 0 HA PRO A 42 4.585 1.265 -11.097 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.600 3.719 -10.243 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.633 2.265 -10.094 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.301 3.651 -8.004 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.697 2.960 -7.851 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.911 1.633 -6.982 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.515 0.775 -7.602 1.00 0.00 H new ATOM 610 N ALA A 43 5.861 3.366 -11.803 1.00 0.00 N ATOM 611 CA ALA A 43 6.911 4.250 -12.293 1.00 0.00 C ATOM 612 C ALA A 43 7.118 5.431 -11.351 1.00 0.00 C ATOM 613 O ALA A 43 6.206 5.858 -10.642 1.00 0.00 O ATOM 614 CB ALA A 43 6.577 4.741 -13.693 1.00 0.00 C ATOM 0 H ALA A 43 5.080 3.242 -12.447 1.00 0.00 H new ATOM 0 HA ALA A 43 7.841 3.683 -12.332 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.370 5.400 -14.046 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.487 3.888 -14.366 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.634 5.287 -13.672 1.00 0.00 H new ATOM 620 N PRO A 44 8.345 5.974 -11.341 1.00 0.00 N ATOM 621 CA PRO A 44 8.699 7.114 -10.490 1.00 0.00 C ATOM 622 C PRO A 44 8.025 8.405 -10.941 1.00 0.00 C ATOM 623 O PRO A 44 7.595 9.212 -10.117 1.00 0.00 O ATOM 624 CB PRO A 44 10.218 7.218 -10.653 1.00 0.00 C ATOM 625 CG PRO A 44 10.500 6.606 -11.981 1.00 0.00 C ATOM 626 CD PRO A 44 9.480 5.516 -12.160 1.00 0.00 C ATOM 0 HA PRO A 44 8.375 6.970 -9.459 1.00 0.00 H new ATOM 0 HB2 PRO A 44 10.550 8.256 -10.617 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.739 6.689 -9.855 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.423 7.347 -12.776 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.512 6.203 -12.018 1.00 0.00 H new ATOM 0 HD2 PRO A 44 9.198 5.397 -13.206 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.858 4.552 -11.820 1.00 0.00 H new ATOM 634 N ALA A 45 7.936 8.594 -12.253 1.00 0.00 N ATOM 635 CA ALA A 45 7.312 9.787 -12.813 1.00 0.00 C ATOM 636 C ALA A 45 5.889 9.958 -12.291 1.00 0.00 C ATOM 637 O ALA A 45 5.453 11.072 -11.999 1.00 0.00 O ATOM 638 CB ALA A 45 7.314 9.720 -14.333 1.00 0.00 C ATOM 0 H ALA A 45 8.288 7.936 -12.949 1.00 0.00 H new ATOM 0 HA ALA A 45 7.894 10.653 -12.498 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.845 10.617 -14.737 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.341 9.653 -14.693 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.758 8.841 -14.659 1.00 0.00 H new ATOM 644 N THR A 46 5.168 8.847 -12.176 1.00 0.00 N ATOM 645 CA THR A 46 3.794 8.874 -11.691 1.00 0.00 C ATOM 646 C THR A 46 3.748 9.054 -10.178 1.00 0.00 C ATOM 647 O THR A 46 3.037 9.919 -9.669 1.00 0.00 O ATOM 648 CB THR A 46 3.040 7.585 -12.067 1.00 0.00 C ATOM 649 OG1 THR A 46 3.882 6.445 -11.854 1.00 0.00 O ATOM 650 CG2 THR A 46 2.590 7.624 -13.520 1.00 0.00 C ATOM 0 H THR A 46 5.513 7.917 -12.412 1.00 0.00 H new ATOM 0 HA THR A 46 3.307 9.723 -12.170 1.00 0.00 H new ATOM 0 HB THR A 46 2.157 7.509 -11.432 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.691 6.721 -11.374 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.060 6.703 -13.762 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.926 8.475 -13.673 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.461 7.722 -14.168 1.00 0.00 H new ATOM 658 N GLN A 47 4.512 8.231 -9.466 1.00 0.00 N ATOM 659 CA GLN A 47 4.557 8.300 -8.010 1.00 0.00 C ATOM 660 C GLN A 47 4.772 9.735 -7.540 1.00 0.00 C ATOM 661 O GLN A 47 5.865 10.284 -7.670 1.00 0.00 O ATOM 662 CB GLN A 47 5.671 7.402 -7.470 1.00 0.00 C ATOM 663 CG GLN A 47 5.295 5.930 -7.419 1.00 0.00 C ATOM 664 CD GLN A 47 6.233 5.118 -6.548 1.00 0.00 C ATOM 665 OE1 GLN A 47 6.364 5.373 -5.351 1.00 0.00 O ATOM 666 NE2 GLN A 47 6.892 4.132 -7.146 1.00 0.00 N ATOM 0 H GLN A 47 5.107 7.510 -9.873 1.00 0.00 H new ATOM 0 HA GLN A 47 3.599 7.950 -7.625 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.557 7.521 -8.094 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.941 7.735 -6.468 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.278 5.832 -7.041 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.300 5.522 -8.430 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.753 3.956 -8.141 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.537 3.551 -6.610 1.00 0.00 H new ATOM 675 N ASN A 48 3.720 10.337 -6.993 1.00 0.00 N ATOM 676 CA ASN A 48 3.794 11.709 -6.504 1.00 0.00 C ATOM 677 C ASN A 48 3.796 11.744 -4.979 1.00 0.00 C ATOM 678 O ASN A 48 3.260 12.667 -4.368 1.00 0.00 O ATOM 679 CB ASN A 48 2.619 12.528 -7.042 1.00 0.00 C ATOM 680 CG ASN A 48 1.346 11.711 -7.150 1.00 0.00 C ATOM 681 OD1 ASN A 48 0.535 11.680 -6.224 1.00 0.00 O ATOM 682 ND2 ASN A 48 1.165 11.044 -8.284 1.00 0.00 N ATOM 0 H ASN A 48 2.807 9.896 -6.878 1.00 0.00 H new ATOM 0 HA ASN A 48 4.727 12.145 -6.861 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.445 13.382 -6.387 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.876 12.926 -8.024 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.327 10.477 -8.414 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.864 11.099 -9.025 1.00 0.00 H new ATOM 689 N GLY A 49 4.403 10.729 -4.370 1.00 0.00 N ATOM 690 CA GLY A 49 4.464 10.663 -2.922 1.00 0.00 C ATOM 691 C GLY A 49 5.287 9.489 -2.429 1.00 0.00 C ATOM 692 O GLY A 49 5.706 8.643 -3.219 1.00 0.00 O ATOM 0 H GLY A 49 4.853 9.952 -4.854 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.891 11.589 -2.537 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.453 10.587 -2.522 1.00 0.00 H new ATOM 696 N GLN A 50 5.518 9.437 -1.121 1.00 0.00 N ATOM 697 CA GLN A 50 6.298 8.358 -0.526 1.00 0.00 C ATOM 698 C GLN A 50 5.399 7.193 -0.126 1.00 0.00 C ATOM 699 O GLN A 50 4.515 7.340 0.718 1.00 0.00 O ATOM 700 CB GLN A 50 7.064 8.869 0.695 1.00 0.00 C ATOM 701 CG GLN A 50 7.862 7.789 1.408 1.00 0.00 C ATOM 702 CD GLN A 50 7.072 7.111 2.510 1.00 0.00 C ATOM 703 OE1 GLN A 50 6.313 6.174 2.260 1.00 0.00 O ATOM 704 NE2 GLN A 50 7.247 7.582 3.740 1.00 0.00 N ATOM 0 H GLN A 50 5.177 10.129 -0.454 1.00 0.00 H new ATOM 0 HA GLN A 50 7.010 8.004 -1.271 1.00 0.00 H new ATOM 0 HB2 GLN A 50 7.742 9.663 0.382 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.358 9.311 1.398 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.182 7.041 0.683 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.765 8.229 1.832 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.886 8.360 3.902 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.742 7.165 4.522 1.00 0.00 H new ATOM 713 N ILE A 51 5.630 6.037 -0.739 1.00 0.00 N ATOM 714 CA ILE A 51 4.841 4.847 -0.446 1.00 0.00 C ATOM 715 C ILE A 51 5.114 4.340 0.966 1.00 0.00 C ATOM 716 O ILE A 51 6.222 3.903 1.279 1.00 0.00 O ATOM 717 CB ILE A 51 5.134 3.716 -1.450 1.00 0.00 C ATOM 718 CG1 ILE A 51 4.639 4.103 -2.845 1.00 0.00 C ATOM 719 CG2 ILE A 51 4.484 2.419 -0.991 1.00 0.00 C ATOM 720 CD1 ILE A 51 5.183 3.219 -3.946 1.00 0.00 C ATOM 0 H ILE A 51 6.357 5.899 -1.441 1.00 0.00 H new ATOM 0 HA ILE A 51 3.793 5.135 -0.530 1.00 0.00 H new ATOM 0 HB ILE A 51 6.212 3.562 -1.498 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.550 4.060 -2.860 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.920 5.136 -3.048 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.700 1.629 -1.711 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.880 2.139 -0.015 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.405 2.558 -0.918 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.790 3.551 -4.907 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.271 3.281 -3.958 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.880 2.187 -3.767 1.00 0.00 H new ATOM 732 N THR A 52 4.094 4.401 1.818 1.00 0.00 N ATOM 733 CA THR A 52 4.223 3.948 3.197 1.00 0.00 C ATOM 734 C THR A 52 3.759 2.504 3.348 1.00 0.00 C ATOM 735 O THR A 52 4.159 1.807 4.279 1.00 0.00 O ATOM 736 CB THR A 52 3.413 4.839 4.159 1.00 0.00 C ATOM 737 OG1 THR A 52 2.036 4.856 3.767 1.00 0.00 O ATOM 738 CG2 THR A 52 3.959 6.258 4.172 1.00 0.00 C ATOM 0 H THR A 52 3.170 4.760 1.576 1.00 0.00 H new ATOM 0 HA THR A 52 5.280 4.015 3.454 1.00 0.00 H new ATOM 0 HB THR A 52 3.500 4.425 5.163 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.527 5.423 4.384 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.371 6.868 4.858 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.999 6.245 4.498 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.899 6.680 3.169 1.00 0.00 H new ATOM 746 N GLY A 53 2.912 2.060 2.423 1.00 0.00 N ATOM 747 CA GLY A 53 2.408 0.700 2.471 1.00 0.00 C ATOM 748 C GLY A 53 1.356 0.434 1.414 1.00 0.00 C ATOM 749 O GLY A 53 0.839 1.364 0.794 1.00 0.00 O ATOM 0 H GLY A 53 2.567 2.618 1.642 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.236 0.004 2.338 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.985 0.507 3.457 1.00 0.00 H new ATOM 753 N TYR A 54 1.037 -0.838 1.205 1.00 0.00 N ATOM 754 CA TYR A 54 0.042 -1.224 0.212 1.00 0.00 C ATOM 755 C TYR A 54 -1.146 -1.918 0.872 1.00 0.00 C ATOM 756 O TYR A 54 -1.044 -2.420 1.991 1.00 0.00 O ATOM 757 CB TYR A 54 0.668 -2.147 -0.836 1.00 0.00 C ATOM 758 CG TYR A 54 1.927 -1.589 -1.459 1.00 0.00 C ATOM 759 CD1 TYR A 54 3.167 -1.789 -0.865 1.00 0.00 C ATOM 760 CD2 TYR A 54 1.877 -0.861 -2.641 1.00 0.00 C ATOM 761 CE1 TYR A 54 4.321 -1.281 -1.431 1.00 0.00 C ATOM 762 CE2 TYR A 54 3.026 -0.350 -3.215 1.00 0.00 C ATOM 763 CZ TYR A 54 4.245 -0.562 -2.606 1.00 0.00 C ATOM 764 OH TYR A 54 5.391 -0.054 -3.173 1.00 0.00 O ATOM 0 H TYR A 54 1.453 -1.620 1.710 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.316 -0.318 -0.278 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.896 -3.107 -0.373 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.062 -2.338 -1.622 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.230 -2.351 0.055 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.924 -0.691 -3.120 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.277 -1.446 -0.956 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.969 0.212 -4.135 1.00 0.00 H new ATOM 0 HH TYR A 54 5.245 0.092 -4.131 1.00 0.00 H new ATOM 774 N LYS A 55 -2.273 -1.942 0.169 1.00 0.00 N ATOM 775 CA LYS A 55 -3.482 -2.575 0.683 1.00 0.00 C ATOM 776 C LYS A 55 -3.948 -3.692 -0.245 1.00 0.00 C ATOM 777 O LYS A 55 -4.276 -3.451 -1.407 1.00 0.00 O ATOM 778 CB LYS A 55 -4.595 -1.537 0.847 1.00 0.00 C ATOM 779 CG LYS A 55 -4.651 -0.920 2.234 1.00 0.00 C ATOM 780 CD LYS A 55 -5.407 0.398 2.228 1.00 0.00 C ATOM 781 CE LYS A 55 -5.796 0.824 3.635 1.00 0.00 C ATOM 782 NZ LYS A 55 -4.603 1.085 4.486 1.00 0.00 N ATOM 0 H LYS A 55 -2.375 -1.530 -0.759 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.250 -3.008 1.656 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.453 -0.745 0.112 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.554 -2.007 0.628 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.133 -1.614 2.923 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.638 -0.758 2.602 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.789 1.171 1.770 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.303 0.302 1.615 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.410 1.723 3.585 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.406 0.046 4.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.788 1.902 5.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.404 0.248 5.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.782 1.287 3.880 1.00 0.00 H new ATOM 796 N ILE A 56 -3.976 -4.914 0.276 1.00 0.00 N ATOM 797 CA ILE A 56 -4.404 -6.068 -0.506 1.00 0.00 C ATOM 798 C ILE A 56 -5.810 -6.507 -0.112 1.00 0.00 C ATOM 799 O ILE A 56 -6.013 -7.097 0.949 1.00 0.00 O ATOM 800 CB ILE A 56 -3.439 -7.256 -0.331 1.00 0.00 C ATOM 801 CG1 ILE A 56 -2.112 -6.972 -1.037 1.00 0.00 C ATOM 802 CG2 ILE A 56 -4.069 -8.532 -0.868 1.00 0.00 C ATOM 803 CD1 ILE A 56 -0.939 -7.717 -0.441 1.00 0.00 C ATOM 0 H ILE A 56 -3.708 -5.131 1.236 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.401 -5.760 -1.552 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.241 -7.391 0.732 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.205 -7.240 -2.089 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.910 -5.902 -0.997 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.376 -9.363 -0.738 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.991 -8.740 -0.324 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.293 -8.409 -1.928 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.032 -7.468 -0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.819 -7.431 0.604 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.119 -8.790 -0.505 1.00 0.00 H new ATOM 815 N ARG A 57 -6.778 -6.217 -0.976 1.00 0.00 N ATOM 816 CA ARG A 57 -8.166 -6.583 -0.719 1.00 0.00 C ATOM 817 C ARG A 57 -8.576 -7.786 -1.563 1.00 0.00 C ATOM 818 O ARG A 57 -8.349 -7.815 -2.773 1.00 0.00 O ATOM 819 CB ARG A 57 -9.090 -5.400 -1.014 1.00 0.00 C ATOM 820 CG ARG A 57 -9.233 -4.434 0.150 1.00 0.00 C ATOM 821 CD ARG A 57 -10.477 -3.571 0.008 1.00 0.00 C ATOM 822 NE ARG A 57 -10.497 -2.476 0.975 1.00 0.00 N ATOM 823 CZ ARG A 57 -11.601 -1.823 1.323 1.00 0.00 C ATOM 824 NH1 ARG A 57 -12.767 -2.153 0.786 1.00 0.00 N ATOM 825 NH2 ARG A 57 -11.538 -0.838 2.209 1.00 0.00 N ATOM 0 H ARG A 57 -6.627 -5.730 -1.859 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.256 -6.852 0.333 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.708 -4.859 -1.880 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -10.076 -5.778 -1.284 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.281 -4.993 1.084 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.351 -3.796 0.206 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.522 -3.164 -1.002 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.364 -4.189 0.142 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.616 -2.198 1.407 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.818 -2.910 0.104 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.613 -1.650 1.055 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.642 -0.581 2.624 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.386 -0.337 2.476 1.00 0.00 H new ATOM 839 N TYR A 58 -9.180 -8.777 -0.916 1.00 0.00 N ATOM 840 CA TYR A 58 -9.620 -9.984 -1.607 1.00 0.00 C ATOM 841 C TYR A 58 -11.016 -10.395 -1.149 1.00 0.00 C ATOM 842 O TYR A 58 -11.431 -10.087 -0.032 1.00 0.00 O ATOM 843 CB TYR A 58 -8.632 -11.126 -1.359 1.00 0.00 C ATOM 844 CG TYR A 58 -8.447 -11.460 0.104 1.00 0.00 C ATOM 845 CD1 TYR A 58 -7.794 -10.581 0.960 1.00 0.00 C ATOM 846 CD2 TYR A 58 -8.923 -12.655 0.630 1.00 0.00 C ATOM 847 CE1 TYR A 58 -7.622 -10.882 2.297 1.00 0.00 C ATOM 848 CE2 TYR A 58 -8.756 -12.963 1.966 1.00 0.00 C ATOM 849 CZ TYR A 58 -8.105 -12.074 2.795 1.00 0.00 C ATOM 850 OH TYR A 58 -7.936 -12.379 4.126 1.00 0.00 O ATOM 0 H TYR A 58 -9.376 -8.768 0.085 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.657 -9.769 -2.675 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.978 -12.016 -1.885 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.666 -10.859 -1.787 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.415 -9.647 0.573 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.432 -13.354 -0.017 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -7.112 -10.188 2.949 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.133 -13.895 2.359 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.335 -13.254 4.314 1.00 0.00 H new ATOM 860 N ARG A 59 -11.734 -11.095 -2.021 1.00 0.00 N ATOM 861 CA ARG A 59 -13.084 -11.550 -1.708 1.00 0.00 C ATOM 862 C ARG A 59 -13.350 -12.923 -2.317 1.00 0.00 C ATOM 863 O ARG A 59 -12.512 -13.469 -3.035 1.00 0.00 O ATOM 864 CB ARG A 59 -14.116 -10.543 -2.221 1.00 0.00 C ATOM 865 CG ARG A 59 -14.019 -10.282 -3.716 1.00 0.00 C ATOM 866 CD ARG A 59 -14.632 -8.940 -4.086 1.00 0.00 C ATOM 867 NE ARG A 59 -14.407 -8.605 -5.490 1.00 0.00 N ATOM 868 CZ ARG A 59 -14.640 -7.403 -6.005 1.00 0.00 C ATOM 869 NH1 ARG A 59 -15.102 -6.427 -5.236 1.00 0.00 N ATOM 870 NH2 ARG A 59 -14.410 -7.175 -7.292 1.00 0.00 N ATOM 0 H ARG A 59 -11.404 -11.359 -2.949 1.00 0.00 H new ATOM 0 HA ARG A 59 -13.172 -11.630 -0.624 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -15.116 -10.909 -1.988 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -13.989 -9.601 -1.687 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.973 -10.303 -4.024 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -14.527 -11.078 -4.260 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.703 -8.963 -3.886 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -14.206 -8.160 -3.454 1.00 0.00 H new ATOM 0 HE ARG A 59 -14.052 -9.334 -6.109 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.279 -6.598 -4.246 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -15.280 -5.505 -5.634 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -14.054 -7.923 -7.887 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -14.589 -6.252 -7.686 1.00 0.00 H new ATOM 884 N LYS A 60 -14.522 -13.477 -2.025 1.00 0.00 N ATOM 885 CA LYS A 60 -14.900 -14.786 -2.544 1.00 0.00 C ATOM 886 C LYS A 60 -15.857 -14.648 -3.724 1.00 0.00 C ATOM 887 O LYS A 60 -16.902 -14.007 -3.617 1.00 0.00 O ATOM 888 CB LYS A 60 -15.551 -15.625 -1.442 1.00 0.00 C ATOM 889 CG LYS A 60 -14.561 -16.461 -0.649 1.00 0.00 C ATOM 890 CD LYS A 60 -15.217 -17.100 0.564 1.00 0.00 C ATOM 891 CE LYS A 60 -14.229 -17.950 1.348 1.00 0.00 C ATOM 892 NZ LYS A 60 -13.273 -17.115 2.126 1.00 0.00 N ATOM 0 H LYS A 60 -15.227 -13.039 -1.431 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.996 -15.288 -2.889 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -16.083 -14.963 -0.759 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -16.294 -16.285 -1.890 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.144 -17.238 -1.290 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.730 -15.834 -0.326 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.624 -16.323 1.211 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.055 -17.718 0.242 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.774 -18.606 2.027 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.676 -18.590 0.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.312 -17.498 2.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.297 -16.138 1.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.541 -17.125 3.131 1.00 0.00 H new ATOM 906 N ALA A 61 -15.492 -15.255 -4.849 1.00 0.00 N ATOM 907 CA ALA A 61 -16.320 -15.202 -6.048 1.00 0.00 C ATOM 908 C ALA A 61 -17.802 -15.274 -5.696 1.00 0.00 C ATOM 909 O ALA A 61 -18.621 -14.554 -6.266 1.00 0.00 O ATOM 910 CB ALA A 61 -15.945 -16.330 -6.998 1.00 0.00 C ATOM 0 H ALA A 61 -14.629 -15.789 -4.955 1.00 0.00 H new ATOM 0 HA ALA A 61 -16.138 -14.248 -6.544 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -16.571 -16.279 -7.889 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.898 -16.232 -7.284 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -16.097 -17.289 -6.502 1.00 0.00 H new ATOM 916 N SER A 62 -18.139 -16.149 -4.754 1.00 0.00 N ATOM 917 CA SER A 62 -19.524 -16.319 -4.329 1.00 0.00 C ATOM 918 C SER A 62 -19.984 -15.131 -3.489 1.00 0.00 C ATOM 919 O SER A 62 -20.982 -14.483 -3.804 1.00 0.00 O ATOM 920 CB SER A 62 -19.679 -17.614 -3.530 1.00 0.00 C ATOM 921 OG SER A 62 -21.044 -17.974 -3.402 1.00 0.00 O ATOM 0 H SER A 62 -17.472 -16.751 -4.271 1.00 0.00 H new ATOM 0 HA SER A 62 -20.148 -16.374 -5.221 1.00 0.00 H new ATOM 0 HB2 SER A 62 -19.133 -18.417 -4.024 1.00 0.00 H new ATOM 0 HB3 SER A 62 -19.238 -17.490 -2.541 1.00 0.00 H new ATOM 0 HG SER A 62 -21.116 -18.806 -2.889 1.00 0.00 H new ATOM 927 N ARG A 63 -19.248 -14.852 -2.418 1.00 0.00 N ATOM 928 CA ARG A 63 -19.580 -13.744 -1.531 1.00 0.00 C ATOM 929 C ARG A 63 -18.602 -12.587 -1.716 1.00 0.00 C ATOM 930 O ARG A 63 -17.645 -12.441 -0.956 1.00 0.00 O ATOM 931 CB ARG A 63 -19.567 -14.208 -0.073 1.00 0.00 C ATOM 932 CG ARG A 63 -20.112 -13.174 0.900 1.00 0.00 C ATOM 933 CD ARG A 63 -21.632 -13.136 0.879 1.00 0.00 C ATOM 934 NE ARG A 63 -22.155 -11.878 1.405 1.00 0.00 N ATOM 935 CZ ARG A 63 -23.389 -11.734 1.874 1.00 0.00 C ATOM 936 NH1 ARG A 63 -24.223 -12.765 1.882 1.00 0.00 N ATOM 937 NH2 ARG A 63 -23.792 -10.557 2.336 1.00 0.00 N ATOM 0 H ARG A 63 -18.418 -15.378 -2.144 1.00 0.00 H new ATOM 0 HA ARG A 63 -20.581 -13.396 -1.786 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -20.155 -15.122 0.014 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -18.545 -14.458 0.211 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -19.767 -13.404 1.908 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -19.719 -12.190 0.645 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -21.984 -13.276 -0.143 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -22.024 -13.966 1.467 1.00 0.00 H new ATOM 0 HE ARG A 63 -21.539 -11.065 1.413 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -23.917 -13.671 1.527 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -25.170 -12.652 2.243 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -23.154 -9.761 2.331 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -24.740 -10.448 2.696 1.00 0.00 H new ATOM 951 N LYS A 64 -18.849 -11.768 -2.733 1.00 0.00 N ATOM 952 CA LYS A 64 -17.993 -10.623 -3.019 1.00 0.00 C ATOM 953 C LYS A 64 -18.201 -9.516 -1.991 1.00 0.00 C ATOM 954 O LYS A 64 -17.240 -8.948 -1.473 1.00 0.00 O ATOM 955 CB LYS A 64 -18.275 -10.088 -4.425 1.00 0.00 C ATOM 956 CG LYS A 64 -18.392 -11.176 -5.478 1.00 0.00 C ATOM 957 CD LYS A 64 -18.229 -10.614 -6.881 1.00 0.00 C ATOM 958 CE LYS A 64 -16.767 -10.571 -7.297 1.00 0.00 C ATOM 959 NZ LYS A 64 -16.236 -11.929 -7.601 1.00 0.00 N ATOM 0 H LYS A 64 -19.636 -11.876 -3.373 1.00 0.00 H new ATOM 0 HA LYS A 64 -16.956 -10.954 -2.964 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -19.200 -9.511 -4.406 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -17.477 -9.402 -4.710 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -17.634 -11.939 -5.300 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -19.362 -11.665 -5.391 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -18.791 -11.225 -7.587 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -18.650 -9.610 -6.923 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -16.658 -9.934 -8.174 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.176 -10.120 -6.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.389 -12.108 -7.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.961 -12.642 -7.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.987 -11.987 -8.609 1.00 0.00 H new ATOM 973 N SER A 65 -19.463 -9.216 -1.699 1.00 0.00 N ATOM 974 CA SER A 65 -19.797 -8.175 -0.734 1.00 0.00 C ATOM 975 C SER A 65 -18.829 -8.196 0.445 1.00 0.00 C ATOM 976 O SER A 65 -18.397 -7.149 0.926 1.00 0.00 O ATOM 977 CB SER A 65 -21.232 -8.356 -0.233 1.00 0.00 C ATOM 978 OG SER A 65 -22.156 -7.708 -1.090 1.00 0.00 O ATOM 0 H SER A 65 -20.270 -9.679 -2.117 1.00 0.00 H new ATOM 0 HA SER A 65 -19.713 -7.210 -1.234 1.00 0.00 H new ATOM 0 HB2 SER A 65 -21.469 -9.418 -0.174 1.00 0.00 H new ATOM 0 HB3 SER A 65 -21.322 -7.953 0.776 1.00 0.00 H new ATOM 0 HG SER A 65 -23.066 -7.840 -0.750 1.00 0.00 H new ATOM 984 N ASP A 66 -18.493 -9.396 0.905 1.00 0.00 N ATOM 985 CA ASP A 66 -17.575 -9.556 2.027 1.00 0.00 C ATOM 986 C ASP A 66 -16.125 -9.489 1.557 1.00 0.00 C ATOM 987 O ASP A 66 -15.646 -10.383 0.859 1.00 0.00 O ATOM 988 CB ASP A 66 -17.832 -10.885 2.739 1.00 0.00 C ATOM 989 CG ASP A 66 -17.309 -10.890 4.162 1.00 0.00 C ATOM 990 OD1 ASP A 66 -17.429 -9.849 4.842 1.00 0.00 O ATOM 991 OD2 ASP A 66 -16.780 -11.934 4.595 1.00 0.00 O ATOM 0 H ASP A 66 -18.843 -10.273 0.518 1.00 0.00 H new ATOM 0 HA ASP A 66 -17.750 -8.738 2.726 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -18.903 -11.088 2.748 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -17.359 -11.692 2.178 1.00 0.00 H new ATOM 996 N VAL A 67 -15.432 -8.422 1.942 1.00 0.00 N ATOM 997 CA VAL A 67 -14.037 -8.238 1.560 1.00 0.00 C ATOM 998 C VAL A 67 -13.152 -8.050 2.787 1.00 0.00 C ATOM 999 O VAL A 67 -13.611 -7.594 3.835 1.00 0.00 O ATOM 1000 CB VAL A 67 -13.866 -7.024 0.627 1.00 0.00 C ATOM 1001 CG1 VAL A 67 -12.479 -7.021 0.004 1.00 0.00 C ATOM 1002 CG2 VAL A 67 -14.943 -7.023 -0.447 1.00 0.00 C ATOM 0 H VAL A 67 -15.814 -7.672 2.518 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.732 -9.140 1.030 1.00 0.00 H new ATOM 0 HB VAL A 67 -13.974 -6.114 1.218 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.377 -6.156 -0.652 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.727 -6.971 0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.338 -7.934 -0.575 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -14.807 -6.159 -1.097 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.869 -7.936 -1.037 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -15.925 -6.973 0.023 1.00 0.00 H new ATOM 1012 N THR A 68 -11.878 -8.406 2.650 1.00 0.00 N ATOM 1013 CA THR A 68 -10.927 -8.278 3.747 1.00 0.00 C ATOM 1014 C THR A 68 -9.787 -7.335 3.380 1.00 0.00 C ATOM 1015 O THR A 68 -9.372 -7.270 2.223 1.00 0.00 O ATOM 1016 CB THR A 68 -10.339 -9.646 4.143 1.00 0.00 C ATOM 1017 OG1 THR A 68 -11.387 -10.614 4.261 1.00 0.00 O ATOM 1018 CG2 THR A 68 -9.581 -9.549 5.459 1.00 0.00 C ATOM 0 H THR A 68 -11.482 -8.785 1.790 1.00 0.00 H new ATOM 0 HA THR A 68 -11.476 -7.867 4.594 1.00 0.00 H new ATOM 0 HB THR A 68 -9.644 -9.957 3.363 1.00 0.00 H new ATOM 0 HG1 THR A 68 -11.005 -11.481 4.511 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.175 -10.527 5.718 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.766 -8.833 5.357 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.259 -9.218 6.246 1.00 0.00 H new ATOM 1026 N GLU A 69 -9.286 -6.606 4.372 1.00 0.00 N ATOM 1027 CA GLU A 69 -8.193 -5.665 4.151 1.00 0.00 C ATOM 1028 C GLU A 69 -6.888 -6.202 4.732 1.00 0.00 C ATOM 1029 O GLU A 69 -6.871 -6.793 5.812 1.00 0.00 O ATOM 1030 CB GLU A 69 -8.523 -4.309 4.777 1.00 0.00 C ATOM 1031 CG GLU A 69 -7.460 -3.252 4.535 1.00 0.00 C ATOM 1032 CD GLU A 69 -7.753 -1.953 5.261 1.00 0.00 C ATOM 1033 OE1 GLU A 69 -8.812 -1.349 4.991 1.00 0.00 O ATOM 1034 OE2 GLU A 69 -6.923 -1.539 6.097 1.00 0.00 O ATOM 0 H GLU A 69 -9.619 -6.648 5.335 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.068 -5.539 3.076 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.473 -3.955 4.377 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.658 -4.437 5.851 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.492 -3.635 4.859 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.384 -3.057 3.465 1.00 0.00 H new ATOM 1041 N THR A 70 -5.794 -5.992 4.006 1.00 0.00 N ATOM 1042 CA THR A 70 -4.484 -6.455 4.447 1.00 0.00 C ATOM 1043 C THR A 70 -3.394 -5.455 4.078 1.00 0.00 C ATOM 1044 O THR A 70 -3.033 -5.318 2.908 1.00 0.00 O ATOM 1045 CB THR A 70 -4.137 -7.825 3.834 1.00 0.00 C ATOM 1046 OG1 THR A 70 -5.153 -8.779 4.161 1.00 0.00 O ATOM 1047 CG2 THR A 70 -2.789 -8.318 4.340 1.00 0.00 C ATOM 0 H THR A 70 -5.789 -5.504 3.110 1.00 0.00 H new ATOM 0 HA THR A 70 -4.532 -6.552 5.532 1.00 0.00 H new ATOM 0 HB THR A 70 -4.081 -7.711 2.751 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.926 -9.647 3.766 1.00 0.00 H new ATOM 0 HG21 THR A 70 -2.565 -9.287 3.894 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.013 -7.604 4.064 1.00 0.00 H new ATOM 0 HG23 THR A 70 -2.822 -8.417 5.425 1.00 0.00 H new ATOM 1055 N LEU A 71 -2.873 -4.758 5.081 1.00 0.00 N ATOM 1056 CA LEU A 71 -1.822 -3.770 4.862 1.00 0.00 C ATOM 1057 C LEU A 71 -0.442 -4.397 5.027 1.00 0.00 C ATOM 1058 O LEU A 71 -0.253 -5.305 5.837 1.00 0.00 O ATOM 1059 CB LEU A 71 -1.983 -2.600 5.834 1.00 0.00 C ATOM 1060 CG LEU A 71 -1.084 -1.389 5.583 1.00 0.00 C ATOM 1061 CD1 LEU A 71 -1.448 -0.718 4.267 1.00 0.00 C ATOM 1062 CD2 LEU A 71 -1.188 -0.400 6.734 1.00 0.00 C ATOM 0 H LEU A 71 -3.161 -4.858 6.054 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.913 -3.400 3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.021 -2.269 5.804 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.794 -2.964 6.844 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.052 -1.734 5.519 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.798 0.142 4.105 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.321 -1.428 3.449 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.486 -0.387 4.302 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.541 0.455 6.538 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.219 -0.061 6.830 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.878 -0.885 7.660 1.00 0.00 H new ATOM 1074 N VAL A 72 0.522 -3.905 4.255 1.00 0.00 N ATOM 1075 CA VAL A 72 1.887 -4.415 4.318 1.00 0.00 C ATOM 1076 C VAL A 72 2.892 -3.278 4.464 1.00 0.00 C ATOM 1077 O VAL A 72 2.516 -2.107 4.529 1.00 0.00 O ATOM 1078 CB VAL A 72 2.237 -5.237 3.064 1.00 0.00 C ATOM 1079 CG1 VAL A 72 1.351 -6.470 2.969 1.00 0.00 C ATOM 1080 CG2 VAL A 72 2.110 -4.382 1.813 1.00 0.00 C ATOM 0 H VAL A 72 0.383 -3.154 3.579 1.00 0.00 H new ATOM 0 HA VAL A 72 1.944 -5.061 5.194 1.00 0.00 H new ATOM 0 HB VAL A 72 3.272 -5.568 3.146 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.613 -7.038 2.077 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.498 -7.092 3.852 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.307 -6.164 2.911 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.361 -4.980 0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.086 -4.019 1.723 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.791 -3.534 1.881 1.00 0.00 H new ATOM 1090 N SER A 73 4.173 -3.630 4.514 1.00 0.00 N ATOM 1091 CA SER A 73 5.233 -2.639 4.655 1.00 0.00 C ATOM 1092 C SER A 73 5.464 -1.899 3.341 1.00 0.00 C ATOM 1093 O SER A 73 5.215 -2.435 2.262 1.00 0.00 O ATOM 1094 CB SER A 73 6.531 -3.311 5.109 1.00 0.00 C ATOM 1095 OG SER A 73 7.413 -2.370 5.696 1.00 0.00 O ATOM 0 H SER A 73 4.502 -4.594 4.459 1.00 0.00 H new ATOM 0 HA SER A 73 4.922 -1.916 5.409 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.305 -4.099 5.827 1.00 0.00 H new ATOM 0 HB3 SER A 73 7.016 -3.786 4.256 1.00 0.00 H new ATOM 0 HG SER A 73 8.234 -2.824 5.979 1.00 0.00 H new ATOM 1101 N GLY A 74 5.940 -0.662 3.441 1.00 0.00 N ATOM 1102 CA GLY A 74 6.196 0.133 2.254 1.00 0.00 C ATOM 1103 C GLY A 74 7.221 -0.507 1.338 1.00 0.00 C ATOM 1104 O GLY A 74 7.204 -0.287 0.126 1.00 0.00 O ATOM 0 H GLY A 74 6.153 -0.196 4.323 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.264 0.275 1.708 1.00 0.00 H new ATOM 0 HA3 GLY A 74 6.546 1.122 2.551 1.00 0.00 H new ATOM 1108 N THR A 75 8.117 -1.300 1.917 1.00 0.00 N ATOM 1109 CA THR A 75 9.155 -1.971 1.145 1.00 0.00 C ATOM 1110 C THR A 75 8.754 -3.404 0.813 1.00 0.00 C ATOM 1111 O THR A 75 9.586 -4.211 0.400 1.00 0.00 O ATOM 1112 CB THR A 75 10.496 -1.988 1.902 1.00 0.00 C ATOM 1113 OG1 THR A 75 11.508 -2.597 1.093 1.00 0.00 O ATOM 1114 CG2 THR A 75 10.366 -2.745 3.215 1.00 0.00 C ATOM 0 H THR A 75 8.145 -1.493 2.918 1.00 0.00 H new ATOM 0 HA THR A 75 9.275 -1.407 0.220 1.00 0.00 H new ATOM 0 HB THR A 75 10.778 -0.958 2.121 1.00 0.00 H new ATOM 0 HG1 THR A 75 11.156 -3.419 0.693 1.00 0.00 H new ATOM 0 HG21 THR A 75 11.325 -2.744 3.732 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.616 -2.262 3.841 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.063 -3.773 3.014 1.00 0.00 H new ATOM 1122 N GLN A 76 7.474 -3.712 0.995 1.00 0.00 N ATOM 1123 CA GLN A 76 6.963 -5.049 0.715 1.00 0.00 C ATOM 1124 C GLN A 76 6.340 -5.113 -0.676 1.00 0.00 C ATOM 1125 O GLN A 76 5.454 -4.325 -1.007 1.00 0.00 O ATOM 1126 CB GLN A 76 5.931 -5.455 1.768 1.00 0.00 C ATOM 1127 CG GLN A 76 5.752 -6.959 1.897 1.00 0.00 C ATOM 1128 CD GLN A 76 5.354 -7.382 3.297 1.00 0.00 C ATOM 1129 OE1 GLN A 76 4.309 -8.196 3.395 1.00 0.00 O flip ATOM 1130 NE2 GLN A 76 5.979 -6.983 4.280 1.00 0.00 N flip ATOM 0 H GLN A 76 6.772 -3.055 1.335 1.00 0.00 H new ATOM 0 HA GLN A 76 7.801 -5.745 0.751 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.231 -5.049 2.734 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.971 -5.004 1.517 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.991 -7.292 1.191 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.682 -7.457 1.622 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.776 -6.358 4.158 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.700 -7.277 5.216 1.00 0.00 H new ATOM 1139 N LEU A 77 6.809 -6.056 -1.486 1.00 0.00 N ATOM 1140 CA LEU A 77 6.298 -6.223 -2.842 1.00 0.00 C ATOM 1141 C LEU A 77 5.555 -7.547 -2.984 1.00 0.00 C ATOM 1142 O LEU A 77 5.173 -7.940 -4.086 1.00 0.00 O ATOM 1143 CB LEU A 77 7.445 -6.157 -3.852 1.00 0.00 C ATOM 1144 CG LEU A 77 8.125 -4.796 -4.008 1.00 0.00 C ATOM 1145 CD1 LEU A 77 9.218 -4.864 -5.063 1.00 0.00 C ATOM 1146 CD2 LEU A 77 7.102 -3.728 -4.365 1.00 0.00 C ATOM 0 H LEU A 77 7.542 -6.716 -1.227 1.00 0.00 H new ATOM 0 HA LEU A 77 5.598 -5.412 -3.043 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.201 -6.887 -3.562 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.063 -6.464 -4.826 1.00 0.00 H new ATOM 0 HG LEU A 77 8.584 -4.528 -3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.691 -3.887 -5.161 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.965 -5.600 -4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.783 -5.154 -6.020 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.603 -2.766 -4.472 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.615 -3.990 -5.304 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.354 -3.662 -3.575 1.00 0.00 H new ATOM 1158 N SER A 78 5.352 -8.230 -1.862 1.00 0.00 N ATOM 1159 CA SER A 78 4.656 -9.511 -1.862 1.00 0.00 C ATOM 1160 C SER A 78 4.040 -9.794 -0.495 1.00 0.00 C ATOM 1161 O SER A 78 4.530 -9.318 0.528 1.00 0.00 O ATOM 1162 CB SER A 78 5.617 -10.638 -2.244 1.00 0.00 C ATOM 1163 OG SER A 78 5.943 -10.585 -3.622 1.00 0.00 O ATOM 0 H SER A 78 5.660 -7.917 -0.941 1.00 0.00 H new ATOM 0 HA SER A 78 3.855 -9.461 -2.599 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.527 -10.562 -1.649 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.164 -11.601 -2.011 1.00 0.00 H new ATOM 0 HG SER A 78 5.864 -11.481 -4.012 1.00 0.00 H new ATOM 1169 N GLN A 79 2.963 -10.573 -0.488 1.00 0.00 N ATOM 1170 CA GLN A 79 2.279 -10.919 0.752 1.00 0.00 C ATOM 1171 C GLN A 79 1.644 -12.303 0.655 1.00 0.00 C ATOM 1172 O GLN A 79 1.263 -12.748 -0.428 1.00 0.00 O ATOM 1173 CB GLN A 79 1.209 -9.876 1.078 1.00 0.00 C ATOM 1174 CG GLN A 79 0.418 -10.189 2.338 1.00 0.00 C ATOM 1175 CD GLN A 79 1.308 -10.452 3.536 1.00 0.00 C ATOM 1176 OE1 GLN A 79 2.369 -9.844 3.682 1.00 0.00 O ATOM 1177 NE2 GLN A 79 0.881 -11.363 4.403 1.00 0.00 N ATOM 0 H GLN A 79 2.546 -10.976 -1.327 1.00 0.00 H new ATOM 0 HA GLN A 79 3.018 -10.933 1.553 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.685 -8.902 1.191 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.520 -9.799 0.237 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.248 -9.355 2.561 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.212 -11.061 2.160 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.005 -11.843 4.243 1.00 0.00 H new ATOM 0 HE22 GLN A 79 1.439 -11.582 5.228 1.00 0.00 H new ATOM 1186 N LEU A 80 1.532 -12.978 1.794 1.00 0.00 N ATOM 1187 CA LEU A 80 0.943 -14.312 1.838 1.00 0.00 C ATOM 1188 C LEU A 80 -0.398 -14.291 2.564 1.00 0.00 C ATOM 1189 O LEU A 80 -0.480 -13.890 3.726 1.00 0.00 O ATOM 1190 CB LEU A 80 1.896 -15.289 2.530 1.00 0.00 C ATOM 1191 CG LEU A 80 1.465 -16.756 2.536 1.00 0.00 C ATOM 1192 CD1 LEU A 80 1.332 -17.279 1.114 1.00 0.00 C ATOM 1193 CD2 LEU A 80 2.454 -17.599 3.326 1.00 0.00 C ATOM 0 H LEU A 80 1.841 -12.624 2.699 1.00 0.00 H new ATOM 0 HA LEU A 80 0.775 -14.643 0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.870 -15.219 2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.029 -14.966 3.562 1.00 0.00 H new ATOM 0 HG LEU A 80 0.491 -16.827 3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.025 -18.324 1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.584 -16.693 0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.292 -17.195 0.604 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.131 -18.640 3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.442 -17.522 2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.499 -17.239 4.354 1.00 0.00 H new ATOM 1205 N ILE A 81 -1.446 -14.727 1.873 1.00 0.00 N ATOM 1206 CA ILE A 81 -2.782 -14.762 2.454 1.00 0.00 C ATOM 1207 C ILE A 81 -3.177 -16.183 2.842 1.00 0.00 C ATOM 1208 O ILE A 81 -3.634 -16.960 2.005 1.00 0.00 O ATOM 1209 CB ILE A 81 -3.833 -14.197 1.480 1.00 0.00 C ATOM 1210 CG1 ILE A 81 -3.491 -12.753 1.108 1.00 0.00 C ATOM 1211 CG2 ILE A 81 -5.222 -14.276 2.096 1.00 0.00 C ATOM 1212 CD1 ILE A 81 -3.471 -11.812 2.292 1.00 0.00 C ATOM 0 H ILE A 81 -1.395 -15.061 0.910 1.00 0.00 H new ATOM 0 HA ILE A 81 -2.754 -14.139 3.348 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.825 -14.798 0.571 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.516 -12.733 0.622 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.217 -12.392 0.380 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.954 -13.873 1.396 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -5.464 -15.316 2.316 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.244 -13.696 3.018 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.221 -10.806 1.953 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.453 -11.802 2.766 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -2.724 -12.148 3.011 1.00 0.00 H new ATOM 1224 N GLU A 82 -2.997 -16.514 4.117 1.00 0.00 N ATOM 1225 CA GLU A 82 -3.335 -17.842 4.616 1.00 0.00 C ATOM 1226 C GLU A 82 -4.794 -17.900 5.060 1.00 0.00 C ATOM 1227 O GLU A 82 -5.418 -16.872 5.317 1.00 0.00 O ATOM 1228 CB GLU A 82 -2.420 -18.221 5.781 1.00 0.00 C ATOM 1229 CG GLU A 82 -0.958 -18.354 5.389 1.00 0.00 C ATOM 1230 CD GLU A 82 -0.016 -18.006 6.525 1.00 0.00 C ATOM 1231 OE1 GLU A 82 -0.261 -16.991 7.211 1.00 0.00 O ATOM 1232 OE2 GLU A 82 0.967 -18.749 6.729 1.00 0.00 O ATOM 0 H GLU A 82 -2.619 -15.881 4.822 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.191 -18.555 3.805 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.511 -17.467 6.563 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.760 -19.165 6.207 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.765 -19.376 5.062 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.753 -17.703 4.539 1.00 0.00 H new ATOM 1239 N GLY A 83 -5.332 -19.113 5.147 1.00 0.00 N ATOM 1240 CA GLY A 83 -6.713 -19.285 5.559 1.00 0.00 C ATOM 1241 C GLY A 83 -7.674 -19.264 4.387 1.00 0.00 C ATOM 1242 O GLY A 83 -8.696 -18.577 4.425 1.00 0.00 O ATOM 0 H GLY A 83 -4.836 -19.980 4.939 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.815 -20.230 6.092 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -6.981 -18.494 6.259 1.00 0.00 H new ATOM 1246 N LEU A 84 -7.348 -20.017 3.343 1.00 0.00 N ATOM 1247 CA LEU A 84 -8.189 -20.081 2.153 1.00 0.00 C ATOM 1248 C LEU A 84 -8.739 -21.490 1.950 1.00 0.00 C ATOM 1249 O LEU A 84 -8.337 -22.428 2.639 1.00 0.00 O ATOM 1250 CB LEU A 84 -7.396 -19.648 0.919 1.00 0.00 C ATOM 1251 CG LEU A 84 -6.717 -18.281 1.003 1.00 0.00 C ATOM 1252 CD1 LEU A 84 -5.634 -18.156 -0.057 1.00 0.00 C ATOM 1253 CD2 LEU A 84 -7.742 -17.166 0.854 1.00 0.00 C ATOM 0 H LEU A 84 -6.507 -20.592 3.296 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.028 -19.400 2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.632 -20.399 0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.069 -19.645 0.062 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.249 -18.189 1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.162 -17.176 0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.884 -18.933 0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.078 -18.269 -1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.241 -16.200 0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.239 -17.255 -0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.482 -17.243 1.651 1.00 0.00 H new ATOM 1265 N ASP A 85 -9.656 -21.630 1.000 1.00 0.00 N ATOM 1266 CA ASP A 85 -10.258 -22.925 0.704 1.00 0.00 C ATOM 1267 C ASP A 85 -9.704 -23.497 -0.597 1.00 0.00 C ATOM 1268 O ASP A 85 -9.161 -22.767 -1.426 1.00 0.00 O ATOM 1269 CB ASP A 85 -11.780 -22.794 0.611 1.00 0.00 C ATOM 1270 CG ASP A 85 -12.407 -22.385 1.929 1.00 0.00 C ATOM 1271 OD1 ASP A 85 -11.987 -22.919 2.978 1.00 0.00 O ATOM 1272 OD2 ASP A 85 -13.317 -21.530 1.913 1.00 0.00 O ATOM 0 H ASP A 85 -9.999 -20.863 0.421 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.008 -23.608 1.516 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.032 -22.058 -0.152 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -12.205 -23.745 0.289 1.00 0.00 H new ATOM 1277 N ARG A 86 -9.845 -24.807 -0.769 1.00 0.00 N ATOM 1278 CA ARG A 86 -9.357 -25.477 -1.968 1.00 0.00 C ATOM 1279 C ARG A 86 -10.394 -25.418 -3.085 1.00 0.00 C ATOM 1280 O ARG A 86 -11.583 -25.224 -2.832 1.00 0.00 O ATOM 1281 CB ARG A 86 -9.009 -26.934 -1.657 1.00 0.00 C ATOM 1282 CG ARG A 86 -10.146 -27.708 -1.010 1.00 0.00 C ATOM 1283 CD ARG A 86 -9.973 -29.208 -1.189 1.00 0.00 C ATOM 1284 NE ARG A 86 -10.820 -29.970 -0.276 1.00 0.00 N ATOM 1285 CZ ARG A 86 -11.188 -31.228 -0.491 1.00 0.00 C ATOM 1286 NH1 ARG A 86 -10.784 -31.862 -1.583 1.00 0.00 N ATOM 1287 NH2 ARG A 86 -11.960 -31.854 0.387 1.00 0.00 N ATOM 0 H ARG A 86 -10.293 -25.426 -0.093 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.458 -24.959 -2.303 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.720 -27.435 -2.581 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.142 -26.958 -0.996 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.191 -27.470 0.053 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.095 -27.396 -1.447 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.212 -29.480 -2.217 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.929 -29.475 -1.023 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.147 -29.511 0.574 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.189 -31.384 -2.260 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.068 -32.828 -1.746 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.272 -31.369 1.229 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.242 -32.820 0.221 1.00 0.00 H new ATOM 1301 N GLY A 87 -9.936 -25.585 -4.322 1.00 0.00 N ATOM 1302 CA GLY A 87 -10.836 -25.547 -5.459 1.00 0.00 C ATOM 1303 C GLY A 87 -11.867 -24.441 -5.344 1.00 0.00 C ATOM 1304 O GLY A 87 -13.071 -24.697 -5.388 1.00 0.00 O ATOM 0 H GLY A 87 -8.957 -25.746 -4.557 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.258 -25.407 -6.372 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -11.345 -26.507 -5.548 1.00 0.00 H new ATOM 1308 N THR A 88 -11.395 -23.207 -5.195 1.00 0.00 N ATOM 1309 CA THR A 88 -12.284 -22.059 -5.071 1.00 0.00 C ATOM 1310 C THR A 88 -11.639 -20.800 -5.639 1.00 0.00 C ATOM 1311 O THR A 88 -10.471 -20.517 -5.373 1.00 0.00 O ATOM 1312 CB THR A 88 -12.673 -21.805 -3.602 1.00 0.00 C ATOM 1313 OG1 THR A 88 -13.303 -22.968 -3.054 1.00 0.00 O ATOM 1314 CG2 THR A 88 -13.610 -20.613 -3.488 1.00 0.00 C ATOM 0 H THR A 88 -10.402 -22.977 -5.157 1.00 0.00 H new ATOM 0 HA THR A 88 -13.183 -22.293 -5.642 1.00 0.00 H new ATOM 0 HB THR A 88 -11.764 -21.587 -3.041 1.00 0.00 H new ATOM 0 HG1 THR A 88 -12.630 -23.665 -2.905 1.00 0.00 H new ATOM 0 HG21 THR A 88 -13.870 -20.454 -2.442 1.00 0.00 H new ATOM 0 HG22 THR A 88 -13.116 -19.723 -3.879 1.00 0.00 H new ATOM 0 HG23 THR A 88 -14.516 -20.806 -4.062 1.00 0.00 H new ATOM 1322 N GLU A 89 -12.407 -20.048 -6.421 1.00 0.00 N ATOM 1323 CA GLU A 89 -11.908 -18.819 -7.026 1.00 0.00 C ATOM 1324 C GLU A 89 -11.785 -17.711 -5.984 1.00 0.00 C ATOM 1325 O GLU A 89 -12.674 -17.524 -5.153 1.00 0.00 O ATOM 1326 CB GLU A 89 -12.833 -18.369 -8.159 1.00 0.00 C ATOM 1327 CG GLU A 89 -12.421 -17.053 -8.795 1.00 0.00 C ATOM 1328 CD GLU A 89 -13.528 -16.436 -9.628 1.00 0.00 C ATOM 1329 OE1 GLU A 89 -14.018 -17.111 -10.557 1.00 0.00 O ATOM 1330 OE2 GLU A 89 -13.905 -15.278 -9.351 1.00 0.00 O ATOM 0 H GLU A 89 -13.376 -20.268 -6.650 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.918 -19.022 -7.435 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.856 -19.142 -8.927 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -13.848 -18.274 -7.772 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.126 -16.353 -8.014 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.546 -17.216 -9.424 1.00 0.00 H new ATOM 1337 N TYR A 90 -10.678 -16.978 -6.036 1.00 0.00 N ATOM 1338 CA TYR A 90 -10.437 -15.890 -5.096 1.00 0.00 C ATOM 1339 C TYR A 90 -9.922 -14.650 -5.819 1.00 0.00 C ATOM 1340 O TYR A 90 -9.007 -14.730 -6.637 1.00 0.00 O ATOM 1341 CB TYR A 90 -9.433 -16.325 -4.027 1.00 0.00 C ATOM 1342 CG TYR A 90 -10.031 -17.216 -2.961 1.00 0.00 C ATOM 1343 CD1 TYR A 90 -10.880 -16.698 -1.991 1.00 0.00 C ATOM 1344 CD2 TYR A 90 -9.748 -18.576 -2.925 1.00 0.00 C ATOM 1345 CE1 TYR A 90 -11.428 -17.508 -1.015 1.00 0.00 C ATOM 1346 CE2 TYR A 90 -10.292 -19.394 -1.954 1.00 0.00 C ATOM 1347 CZ TYR A 90 -11.131 -18.855 -1.001 1.00 0.00 C ATOM 1348 OH TYR A 90 -11.676 -19.665 -0.031 1.00 0.00 O ATOM 0 H TYR A 90 -9.934 -17.118 -6.719 1.00 0.00 H new ATOM 0 HA TYR A 90 -11.384 -15.642 -4.616 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.608 -16.851 -4.508 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.012 -15.438 -3.553 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -11.116 -15.644 -2.000 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -9.091 -19.001 -3.669 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -12.085 -17.089 -0.267 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -10.062 -20.449 -1.941 1.00 0.00 H new ATOM 0 HH TYR A 90 -11.395 -19.351 0.854 1.00 0.00 H new ATOM 1358 N ASN A 91 -10.517 -13.502 -5.509 1.00 0.00 N ATOM 1359 CA ASN A 91 -10.119 -12.243 -6.128 1.00 0.00 C ATOM 1360 C ASN A 91 -9.146 -11.481 -5.234 1.00 0.00 C ATOM 1361 O ASN A 91 -9.288 -11.470 -4.011 1.00 0.00 O ATOM 1362 CB ASN A 91 -11.350 -11.381 -6.414 1.00 0.00 C ATOM 1363 CG ASN A 91 -12.546 -12.206 -6.849 1.00 0.00 C ATOM 1364 OD1 ASN A 91 -13.594 -12.187 -6.203 1.00 0.00 O ATOM 1365 ND2 ASN A 91 -12.394 -12.935 -7.948 1.00 0.00 N ATOM 0 H ASN A 91 -11.276 -13.418 -4.833 1.00 0.00 H new ATOM 0 HA ASN A 91 -9.617 -12.471 -7.068 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -11.609 -10.814 -5.520 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.110 -10.656 -7.192 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -13.164 -13.510 -8.289 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -11.507 -12.920 -8.451 1.00 0.00 H new ATOM 1372 N PHE A 92 -8.158 -10.843 -5.852 1.00 0.00 N ATOM 1373 CA PHE A 92 -7.161 -10.078 -5.113 1.00 0.00 C ATOM 1374 C PHE A 92 -6.825 -8.778 -5.838 1.00 0.00 C ATOM 1375 O PHE A 92 -6.931 -8.692 -7.062 1.00 0.00 O ATOM 1376 CB PHE A 92 -5.891 -10.908 -4.918 1.00 0.00 C ATOM 1377 CG PHE A 92 -6.119 -12.180 -4.152 1.00 0.00 C ATOM 1378 CD1 PHE A 92 -6.625 -13.304 -4.785 1.00 0.00 C ATOM 1379 CD2 PHE A 92 -5.828 -12.252 -2.799 1.00 0.00 C ATOM 1380 CE1 PHE A 92 -6.835 -14.477 -4.083 1.00 0.00 C ATOM 1381 CE2 PHE A 92 -6.035 -13.421 -2.093 1.00 0.00 C ATOM 1382 CZ PHE A 92 -6.541 -14.535 -2.735 1.00 0.00 C ATOM 0 H PHE A 92 -8.026 -10.841 -6.863 1.00 0.00 H new ATOM 0 HA PHE A 92 -7.580 -9.832 -4.137 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.472 -11.151 -5.894 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.149 -10.305 -4.394 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.858 -13.264 -5.839 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -5.435 -11.384 -2.291 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -7.228 -15.347 -4.588 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.801 -13.464 -1.039 1.00 0.00 H new ATOM 0 HZ PHE A 92 -6.706 -15.449 -2.184 1.00 0.00 H new ATOM 1392 N ARG A 93 -6.421 -7.768 -5.074 1.00 0.00 N ATOM 1393 CA ARG A 93 -6.071 -6.472 -5.643 1.00 0.00 C ATOM 1394 C ARG A 93 -5.115 -5.716 -4.726 1.00 0.00 C ATOM 1395 O ARG A 93 -5.355 -5.596 -3.524 1.00 0.00 O ATOM 1396 CB ARG A 93 -7.332 -5.639 -5.881 1.00 0.00 C ATOM 1397 CG ARG A 93 -7.945 -5.084 -4.606 1.00 0.00 C ATOM 1398 CD ARG A 93 -9.128 -4.176 -4.905 1.00 0.00 C ATOM 1399 NE ARG A 93 -9.293 -3.140 -3.890 1.00 0.00 N ATOM 1400 CZ ARG A 93 -9.978 -2.019 -4.088 1.00 0.00 C ATOM 1401 NH1 ARG A 93 -10.558 -1.791 -5.258 1.00 0.00 N ATOM 1402 NH2 ARG A 93 -10.083 -1.123 -3.115 1.00 0.00 N ATOM 0 H ARG A 93 -6.328 -7.822 -4.060 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.572 -6.645 -6.597 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -7.090 -4.811 -6.548 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -8.072 -6.254 -6.392 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.269 -5.907 -3.969 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.190 -4.528 -4.050 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -8.989 -3.709 -5.880 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -10.038 -4.774 -4.964 1.00 0.00 H new ATOM 0 HE ARG A 93 -8.858 -3.285 -2.979 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -10.479 -2.477 -6.009 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -11.083 -0.930 -5.408 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -9.637 -1.294 -2.214 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -10.609 -0.263 -3.268 1.00 0.00 H new ATOM 1416 N VAL A 94 -4.029 -5.208 -5.301 1.00 0.00 N ATOM 1417 CA VAL A 94 -3.036 -4.463 -4.535 1.00 0.00 C ATOM 1418 C VAL A 94 -3.136 -2.968 -4.815 1.00 0.00 C ATOM 1419 O VAL A 94 -3.293 -2.549 -5.961 1.00 0.00 O ATOM 1420 CB VAL A 94 -1.607 -4.940 -4.856 1.00 0.00 C ATOM 1421 CG1 VAL A 94 -0.593 -4.207 -3.991 1.00 0.00 C ATOM 1422 CG2 VAL A 94 -1.493 -6.445 -4.666 1.00 0.00 C ATOM 0 H VAL A 94 -3.815 -5.299 -6.294 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.244 -4.647 -3.481 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.392 -4.711 -5.900 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.411 -4.557 -4.232 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.659 -3.136 -4.181 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.803 -4.402 -2.939 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.477 -6.765 -4.897 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -1.728 -6.700 -3.633 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.193 -6.950 -5.332 1.00 0.00 H new ATOM 1432 N ALA A 95 -3.043 -2.167 -3.758 1.00 0.00 N ATOM 1433 CA ALA A 95 -3.120 -0.717 -3.890 1.00 0.00 C ATOM 1434 C ALA A 95 -1.997 -0.035 -3.117 1.00 0.00 C ATOM 1435 O ALA A 95 -1.652 -0.449 -2.010 1.00 0.00 O ATOM 1436 CB ALA A 95 -4.474 -0.215 -3.410 1.00 0.00 C ATOM 0 H ALA A 95 -2.914 -2.498 -2.802 1.00 0.00 H new ATOM 0 HA ALA A 95 -3.004 -0.466 -4.944 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.518 0.869 -3.514 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.264 -0.669 -4.009 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.612 -0.485 -2.363 1.00 0.00 H new ATOM 1442 N ALA A 96 -1.429 1.011 -3.707 1.00 0.00 N ATOM 1443 CA ALA A 96 -0.345 1.751 -3.072 1.00 0.00 C ATOM 1444 C ALA A 96 -0.888 2.865 -2.183 1.00 0.00 C ATOM 1445 O ALA A 96 -1.938 3.444 -2.465 1.00 0.00 O ATOM 1446 CB ALA A 96 0.591 2.324 -4.126 1.00 0.00 C ATOM 0 H ALA A 96 -1.701 1.365 -4.624 1.00 0.00 H new ATOM 0 HA ALA A 96 0.214 1.059 -2.442 1.00 0.00 H new ATOM 0 HB1 ALA A 96 1.396 2.874 -3.638 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.014 1.512 -4.718 1.00 0.00 H new ATOM 0 HB3 ALA A 96 0.035 2.997 -4.779 1.00 0.00 H new ATOM 1452 N LEU A 97 -0.167 3.160 -1.106 1.00 0.00 N ATOM 1453 CA LEU A 97 -0.577 4.205 -0.174 1.00 0.00 C ATOM 1454 C LEU A 97 0.561 5.191 0.073 1.00 0.00 C ATOM 1455 O LEU A 97 1.727 4.804 0.150 1.00 0.00 O ATOM 1456 CB LEU A 97 -1.027 3.586 1.150 1.00 0.00 C ATOM 1457 CG LEU A 97 -2.099 2.500 1.053 1.00 0.00 C ATOM 1458 CD1 LEU A 97 -1.941 1.492 2.181 1.00 0.00 C ATOM 1459 CD2 LEU A 97 -3.489 3.119 1.080 1.00 0.00 C ATOM 0 H LEU A 97 0.704 2.691 -0.857 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.413 4.747 -0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.153 3.163 1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.403 4.383 1.792 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.974 1.977 0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.712 0.727 2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.958 1.025 2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.039 2.001 3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.239 2.332 1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.625 3.668 2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.600 3.802 0.237 1.00 0.00 H new ATOM 1471 N THR A 98 0.213 6.468 0.198 1.00 0.00 N ATOM 1472 CA THR A 98 1.204 7.509 0.437 1.00 0.00 C ATOM 1473 C THR A 98 0.671 8.565 1.399 1.00 0.00 C ATOM 1474 O THR A 98 -0.515 8.572 1.733 1.00 0.00 O ATOM 1475 CB THR A 98 1.627 8.195 -0.875 1.00 0.00 C ATOM 1476 OG1 THR A 98 0.488 8.793 -1.505 1.00 0.00 O ATOM 1477 CG2 THR A 98 2.271 7.195 -1.825 1.00 0.00 C ATOM 0 H THR A 98 -0.748 6.806 0.138 1.00 0.00 H new ATOM 0 HA THR A 98 2.073 7.022 0.880 1.00 0.00 H new ATOM 0 HB THR A 98 2.357 8.968 -0.636 1.00 0.00 H new ATOM 0 HG1 THR A 98 -0.328 8.511 -1.041 1.00 0.00 H new ATOM 0 HG21 THR A 98 2.562 7.702 -2.745 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.154 6.763 -1.354 1.00 0.00 H new ATOM 0 HG23 THR A 98 1.559 6.403 -2.057 1.00 0.00 H new ATOM 1485 N ILE A 99 1.552 9.455 1.842 1.00 0.00 N ATOM 1486 CA ILE A 99 1.168 10.516 2.764 1.00 0.00 C ATOM 1487 C ILE A 99 0.007 11.334 2.209 1.00 0.00 C ATOM 1488 O ILE A 99 -0.803 11.872 2.963 1.00 0.00 O ATOM 1489 CB ILE A 99 2.350 11.459 3.061 1.00 0.00 C ATOM 1490 CG1 ILE A 99 1.953 12.492 4.118 1.00 0.00 C ATOM 1491 CG2 ILE A 99 2.810 12.148 1.786 1.00 0.00 C ATOM 1492 CD1 ILE A 99 3.136 13.125 4.817 1.00 0.00 C ATOM 0 H ILE A 99 2.537 9.462 1.577 1.00 0.00 H new ATOM 0 HA ILE A 99 0.858 10.032 3.690 1.00 0.00 H new ATOM 0 HB ILE A 99 3.179 10.868 3.451 1.00 0.00 H new ATOM 0 HG12 ILE A 99 1.359 13.274 3.645 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.315 12.013 4.861 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.645 12.811 2.012 1.00 0.00 H new ATOM 0 HG22 ILE A 99 3.127 11.398 1.061 1.00 0.00 H new ATOM 0 HG23 ILE A 99 1.988 12.730 1.370 1.00 0.00 H new ATOM 0 HD11 ILE A 99 2.781 13.847 5.553 1.00 0.00 H new ATOM 0 HD12 ILE A 99 3.718 12.352 5.319 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.763 13.633 4.084 1.00 0.00 H new ATOM 1504 N ASN A 100 -0.068 11.422 0.885 1.00 0.00 N ATOM 1505 CA ASN A 100 -1.132 12.173 0.228 1.00 0.00 C ATOM 1506 C ASN A 100 -2.491 11.528 0.483 1.00 0.00 C ATOM 1507 O ASN A 100 -3.530 12.174 0.352 1.00 0.00 O ATOM 1508 CB ASN A 100 -0.870 12.257 -1.277 1.00 0.00 C ATOM 1509 CG ASN A 100 0.370 13.068 -1.604 1.00 0.00 C ATOM 1510 OD1 ASN A 100 0.306 14.290 -1.744 1.00 0.00 O ATOM 1511 ND2 ASN A 100 1.505 12.390 -1.727 1.00 0.00 N ATOM 0 H ASN A 100 0.595 10.983 0.246 1.00 0.00 H new ATOM 0 HA ASN A 100 -1.143 13.180 0.646 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -0.759 11.250 -1.680 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -1.734 12.704 -1.769 1.00 0.00 H new ATOM 0 HD21 ASN A 100 2.371 12.882 -1.946 1.00 0.00 H new ATOM 0 HD22 ASN A 100 1.510 11.378 -1.602 1.00 0.00 H new ATOM 1518 N GLY A 101 -2.474 10.250 0.850 1.00 0.00 N ATOM 1519 CA GLY A 101 -3.711 9.540 1.119 1.00 0.00 C ATOM 1520 C GLY A 101 -3.660 8.095 0.665 1.00 0.00 C ATOM 1521 O GLY A 101 -2.940 7.279 1.242 1.00 0.00 O ATOM 0 H GLY A 101 -1.627 9.694 0.966 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.921 9.575 2.188 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.534 10.047 0.616 1.00 0.00 H new ATOM 1525 N THR A 102 -4.426 7.775 -0.373 1.00 0.00 N ATOM 1526 CA THR A 102 -4.468 6.418 -0.903 1.00 0.00 C ATOM 1527 C THR A 102 -4.066 6.389 -2.374 1.00 0.00 C ATOM 1528 O THR A 102 -3.791 7.428 -2.973 1.00 0.00 O ATOM 1529 CB THR A 102 -5.870 5.799 -0.754 1.00 0.00 C ATOM 1530 OG1 THR A 102 -6.872 6.781 -1.043 1.00 0.00 O ATOM 1531 CG2 THR A 102 -6.076 5.256 0.652 1.00 0.00 C ATOM 0 H THR A 102 -5.026 8.438 -0.864 1.00 0.00 H new ATOM 0 HA THR A 102 -3.756 5.831 -0.323 1.00 0.00 H new ATOM 0 HB THR A 102 -5.955 4.974 -1.461 1.00 0.00 H new ATOM 0 HG1 THR A 102 -7.761 6.379 -0.948 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.073 4.824 0.733 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.330 4.488 0.858 1.00 0.00 H new ATOM 0 HG23 THR A 102 -5.972 6.066 1.374 1.00 0.00 H new ATOM 1539 N GLY A 103 -4.034 5.192 -2.951 1.00 0.00 N ATOM 1540 CA GLY A 103 -3.665 5.051 -4.347 1.00 0.00 C ATOM 1541 C GLY A 103 -4.604 4.133 -5.105 1.00 0.00 C ATOM 1542 O GLY A 103 -5.582 3.623 -4.559 1.00 0.00 O ATOM 0 H GLY A 103 -4.257 4.317 -2.476 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.662 6.033 -4.820 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.649 4.662 -4.414 1.00 0.00 H new ATOM 1546 N PRO A 104 -4.309 3.913 -6.395 1.00 0.00 N ATOM 1547 CA PRO A 104 -5.123 3.051 -7.257 1.00 0.00 C ATOM 1548 C PRO A 104 -5.009 1.579 -6.878 1.00 0.00 C ATOM 1549 O PRO A 104 -4.052 1.170 -6.221 1.00 0.00 O ATOM 1550 CB PRO A 104 -4.540 3.292 -8.652 1.00 0.00 C ATOM 1551 CG PRO A 104 -3.136 3.724 -8.405 1.00 0.00 C ATOM 1552 CD PRO A 104 -3.159 4.489 -7.111 1.00 0.00 C ATOM 0 HA PRO A 104 -6.185 3.282 -7.179 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -4.575 2.387 -9.258 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -5.101 4.057 -9.189 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -2.469 2.864 -8.338 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -2.771 4.348 -9.221 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -2.232 4.361 -6.552 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -3.285 5.559 -7.279 1.00 0.00 H new ATOM 1560 N ALA A 105 -5.990 0.786 -7.298 1.00 0.00 N ATOM 1561 CA ALA A 105 -5.997 -0.641 -7.004 1.00 0.00 C ATOM 1562 C ALA A 105 -5.903 -1.465 -8.284 1.00 0.00 C ATOM 1563 O ALA A 105 -6.519 -1.131 -9.297 1.00 0.00 O ATOM 1564 CB ALA A 105 -7.250 -1.014 -6.226 1.00 0.00 C ATOM 0 H ALA A 105 -6.790 1.108 -7.843 1.00 0.00 H new ATOM 0 HA ALA A 105 -5.123 -0.865 -6.393 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -7.242 -2.083 -6.013 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.275 -0.458 -5.289 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -8.132 -0.769 -6.818 1.00 0.00 H new ATOM 1570 N THR A 106 -5.127 -2.544 -8.232 1.00 0.00 N ATOM 1571 CA THR A 106 -4.951 -3.414 -9.388 1.00 0.00 C ATOM 1572 C THR A 106 -6.236 -4.170 -9.708 1.00 0.00 C ATOM 1573 O THR A 106 -6.886 -4.714 -8.816 1.00 0.00 O ATOM 1574 CB THR A 106 -3.815 -4.429 -9.158 1.00 0.00 C ATOM 1575 OG1 THR A 106 -4.150 -5.301 -8.073 1.00 0.00 O ATOM 1576 CG2 THR A 106 -2.505 -3.717 -8.858 1.00 0.00 C ATOM 0 H THR A 106 -4.611 -2.836 -7.402 1.00 0.00 H new ATOM 0 HA THR A 106 -4.691 -2.773 -10.230 1.00 0.00 H new ATOM 0 HB THR A 106 -3.691 -5.014 -10.069 1.00 0.00 H new ATOM 0 HG1 THR A 106 -4.529 -6.133 -8.427 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.718 -4.454 -8.699 1.00 0.00 H new ATOM 0 HG22 THR A 106 -2.238 -3.077 -9.699 1.00 0.00 H new ATOM 0 HG23 THR A 106 -2.619 -3.109 -7.961 1.00 0.00 H new ATOM 1584 N ASP A 107 -6.595 -4.200 -10.987 1.00 0.00 N ATOM 1585 CA ASP A 107 -7.802 -4.892 -11.425 1.00 0.00 C ATOM 1586 C ASP A 107 -8.026 -6.163 -10.612 1.00 0.00 C ATOM 1587 O ASP A 107 -7.076 -6.861 -10.258 1.00 0.00 O ATOM 1588 CB ASP A 107 -7.708 -5.233 -12.913 1.00 0.00 C ATOM 1589 CG ASP A 107 -6.831 -4.260 -13.676 1.00 0.00 C ATOM 1590 OD1 ASP A 107 -7.058 -3.038 -13.557 1.00 0.00 O ATOM 1591 OD2 ASP A 107 -5.917 -4.721 -14.391 1.00 0.00 O ATOM 0 H ASP A 107 -6.068 -3.754 -11.738 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.651 -4.227 -11.265 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -7.311 -6.242 -13.027 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -8.708 -5.233 -13.347 1.00 0.00 H new ATOM 1596 N TRP A 108 -9.288 -6.456 -10.318 1.00 0.00 N ATOM 1597 CA TRP A 108 -9.636 -7.643 -9.545 1.00 0.00 C ATOM 1598 C TRP A 108 -9.096 -8.904 -10.211 1.00 0.00 C ATOM 1599 O TRP A 108 -9.702 -9.434 -11.143 1.00 0.00 O ATOM 1600 CB TRP A 108 -11.154 -7.745 -9.386 1.00 0.00 C ATOM 1601 CG TRP A 108 -11.697 -6.870 -8.297 1.00 0.00 C ATOM 1602 CD1 TRP A 108 -12.468 -5.754 -8.451 1.00 0.00 C ATOM 1603 CD2 TRP A 108 -11.509 -7.039 -6.888 1.00 0.00 C ATOM 1604 NE1 TRP A 108 -12.771 -5.218 -7.223 1.00 0.00 N ATOM 1605 CE2 TRP A 108 -12.195 -5.988 -6.247 1.00 0.00 C ATOM 1606 CE3 TRP A 108 -10.830 -7.976 -6.105 1.00 0.00 C ATOM 1607 CZ2 TRP A 108 -12.218 -5.851 -4.862 1.00 0.00 C ATOM 1608 CZ3 TRP A 108 -10.854 -7.838 -4.730 1.00 0.00 C ATOM 1609 CH2 TRP A 108 -11.545 -6.782 -4.120 1.00 0.00 C ATOM 0 H TRP A 108 -10.086 -5.889 -10.603 1.00 0.00 H new ATOM 0 HA TRP A 108 -9.179 -7.552 -8.559 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -11.630 -7.477 -10.329 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -11.422 -8.781 -9.177 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -12.792 -5.351 -9.399 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -13.334 -4.382 -7.064 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -10.296 -8.794 -6.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -12.749 -5.038 -4.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -10.332 -8.556 -4.115 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -11.546 -6.702 -3.043 1.00 0.00 H new ATOM 1620 N LEU A 109 -7.954 -9.380 -9.727 1.00 0.00 N ATOM 1621 CA LEU A 109 -7.332 -10.580 -10.276 1.00 0.00 C ATOM 1622 C LEU A 109 -7.844 -11.831 -9.568 1.00 0.00 C ATOM 1623 O LEU A 109 -7.626 -12.010 -8.369 1.00 0.00 O ATOM 1624 CB LEU A 109 -5.811 -10.494 -10.148 1.00 0.00 C ATOM 1625 CG LEU A 109 -5.004 -11.194 -11.242 1.00 0.00 C ATOM 1626 CD1 LEU A 109 -5.393 -10.664 -12.614 1.00 0.00 C ATOM 1627 CD2 LEU A 109 -3.512 -11.016 -11.002 1.00 0.00 C ATOM 0 H LEU A 109 -7.440 -8.954 -8.956 1.00 0.00 H new ATOM 0 HA LEU A 109 -7.598 -10.647 -11.331 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.527 -9.442 -10.132 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -5.523 -10.917 -9.185 1.00 0.00 H new ATOM 0 HG LEU A 109 -5.231 -12.259 -11.209 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.809 -11.174 -13.380 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.454 -10.845 -12.787 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.196 -9.593 -12.660 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.954 -11.521 -11.790 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.267 -9.954 -11.007 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.245 -11.446 -10.036 1.00 0.00 H new ATOM 1639 N SER A 110 -8.523 -12.693 -10.317 1.00 0.00 N ATOM 1640 CA SER A 110 -9.067 -13.927 -9.761 1.00 0.00 C ATOM 1641 C SER A 110 -8.064 -15.069 -9.889 1.00 0.00 C ATOM 1642 O SER A 110 -7.282 -15.119 -10.838 1.00 0.00 O ATOM 1643 CB SER A 110 -10.372 -14.297 -10.466 1.00 0.00 C ATOM 1644 OG SER A 110 -10.120 -14.879 -11.733 1.00 0.00 O ATOM 0 H SER A 110 -8.710 -12.560 -11.311 1.00 0.00 H new ATOM 0 HA SER A 110 -9.269 -13.762 -8.703 1.00 0.00 H new ATOM 0 HB2 SER A 110 -10.938 -14.994 -9.848 1.00 0.00 H new ATOM 0 HB3 SER A 110 -10.988 -13.406 -10.588 1.00 0.00 H new ATOM 0 HG SER A 110 -10.970 -15.108 -12.163 1.00 0.00 H new ATOM 1650 N ALA A 111 -8.093 -15.985 -8.927 1.00 0.00 N ATOM 1651 CA ALA A 111 -7.189 -17.128 -8.932 1.00 0.00 C ATOM 1652 C ALA A 111 -7.833 -18.341 -8.269 1.00 0.00 C ATOM 1653 O ALA A 111 -8.351 -18.249 -7.157 1.00 0.00 O ATOM 1654 CB ALA A 111 -5.884 -16.773 -8.233 1.00 0.00 C ATOM 0 H ALA A 111 -8.733 -15.958 -8.134 1.00 0.00 H new ATOM 0 HA ALA A 111 -6.975 -17.385 -9.969 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.219 -17.636 -8.244 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.408 -15.941 -8.752 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -6.090 -16.487 -7.201 1.00 0.00 H new ATOM 1660 N GLU A 112 -7.798 -19.476 -8.961 1.00 0.00 N ATOM 1661 CA GLU A 112 -8.380 -20.706 -8.438 1.00 0.00 C ATOM 1662 C GLU A 112 -7.309 -21.590 -7.806 1.00 0.00 C ATOM 1663 O GLU A 112 -6.419 -22.095 -8.493 1.00 0.00 O ATOM 1664 CB GLU A 112 -9.096 -21.471 -9.553 1.00 0.00 C ATOM 1665 CG GLU A 112 -10.136 -22.455 -9.045 1.00 0.00 C ATOM 1666 CD GLU A 112 -11.012 -23.003 -10.155 1.00 0.00 C ATOM 1667 OE1 GLU A 112 -10.465 -23.627 -11.088 1.00 0.00 O ATOM 1668 OE2 GLU A 112 -12.244 -22.808 -10.091 1.00 0.00 O ATOM 0 H GLU A 112 -7.373 -19.569 -9.884 1.00 0.00 H new ATOM 0 HA GLU A 112 -9.104 -20.437 -7.669 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -9.579 -20.757 -10.220 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -8.356 -22.010 -10.145 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -9.634 -23.281 -8.542 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -10.763 -21.963 -8.301 1.00 0.00 H new ATOM 1675 N THR A 113 -7.399 -21.773 -6.493 1.00 0.00 N ATOM 1676 CA THR A 113 -6.438 -22.593 -5.767 1.00 0.00 C ATOM 1677 C THR A 113 -6.405 -24.016 -6.314 1.00 0.00 C ATOM 1678 O THR A 113 -7.154 -24.356 -7.230 1.00 0.00 O ATOM 1679 CB THR A 113 -6.763 -22.641 -4.262 1.00 0.00 C ATOM 1680 OG1 THR A 113 -8.181 -22.682 -4.069 1.00 0.00 O ATOM 1681 CG2 THR A 113 -6.183 -21.433 -3.544 1.00 0.00 C ATOM 0 H THR A 113 -8.129 -21.364 -5.910 1.00 0.00 H new ATOM 0 HA THR A 113 -5.461 -22.131 -5.905 1.00 0.00 H new ATOM 0 HB THR A 113 -6.313 -23.542 -3.844 1.00 0.00 H new ATOM 0 HG1 THR A 113 -8.444 -21.988 -3.429 1.00 0.00 H new ATOM 0 HG21 THR A 113 -6.426 -21.489 -2.483 1.00 0.00 H new ATOM 0 HG22 THR A 113 -5.100 -21.421 -3.669 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.607 -20.521 -3.965 1.00 0.00 H new ATOM 1689 N PHE A 114 -5.534 -24.843 -5.747 1.00 0.00 N ATOM 1690 CA PHE A 114 -5.404 -26.230 -6.179 1.00 0.00 C ATOM 1691 C PHE A 114 -6.384 -27.127 -5.429 1.00 0.00 C ATOM 1692 O PHE A 114 -6.404 -27.150 -4.199 1.00 0.00 O ATOM 1693 CB PHE A 114 -3.972 -26.723 -5.958 1.00 0.00 C ATOM 1694 CG PHE A 114 -2.934 -25.869 -6.627 1.00 0.00 C ATOM 1695 CD1 PHE A 114 -2.723 -25.955 -7.993 1.00 0.00 C ATOM 1696 CD2 PHE A 114 -2.168 -24.980 -5.889 1.00 0.00 C ATOM 1697 CE1 PHE A 114 -1.768 -25.170 -8.612 1.00 0.00 C ATOM 1698 CE2 PHE A 114 -1.213 -24.192 -6.502 1.00 0.00 C ATOM 1699 CZ PHE A 114 -1.011 -24.288 -7.865 1.00 0.00 C ATOM 0 H PHE A 114 -4.907 -24.577 -4.987 1.00 0.00 H new ATOM 0 HA PHE A 114 -5.637 -26.277 -7.243 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -3.769 -26.756 -4.888 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -3.886 -27.744 -6.330 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -3.311 -26.643 -8.582 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -2.320 -24.903 -4.822 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -1.614 -25.246 -9.678 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -0.625 -23.501 -5.916 1.00 0.00 H new ATOM 0 HZ PHE A 114 -0.263 -23.675 -8.346 1.00 0.00 H new ATOM 1709 N GLU A 115 -7.196 -27.864 -6.181 1.00 0.00 N ATOM 1710 CA GLU A 115 -8.180 -28.762 -5.587 1.00 0.00 C ATOM 1711 C GLU A 115 -7.560 -29.579 -4.458 1.00 0.00 C ATOM 1712 O GLU A 115 -8.234 -29.935 -3.492 1.00 0.00 O ATOM 1713 CB GLU A 115 -8.757 -29.697 -6.652 1.00 0.00 C ATOM 1714 CG GLU A 115 -9.755 -29.022 -7.578 1.00 0.00 C ATOM 1715 CD GLU A 115 -10.656 -30.015 -8.287 1.00 0.00 C ATOM 1716 OE1 GLU A 115 -10.258 -30.521 -9.357 1.00 0.00 O ATOM 1717 OE2 GLU A 115 -11.761 -30.286 -7.771 1.00 0.00 O ATOM 0 H GLU A 115 -7.192 -27.857 -7.201 1.00 0.00 H new ATOM 0 HA GLU A 115 -8.985 -28.155 -5.172 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -7.940 -30.104 -7.247 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -9.243 -30.539 -6.159 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -10.367 -28.328 -7.002 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -9.216 -28.432 -8.319 1.00 0.00 H new ATOM 1724 N SER A 116 -6.270 -29.875 -4.589 1.00 0.00 N ATOM 1725 CA SER A 116 -5.559 -30.654 -3.583 1.00 0.00 C ATOM 1726 C SER A 116 -4.099 -30.219 -3.490 1.00 0.00 C ATOM 1727 O SER A 116 -3.571 -29.581 -4.401 1.00 0.00 O ATOM 1728 CB SER A 116 -5.638 -32.146 -3.913 1.00 0.00 C ATOM 1729 OG SER A 116 -5.449 -32.936 -2.752 1.00 0.00 O ATOM 0 H SER A 116 -5.697 -29.587 -5.382 1.00 0.00 H new ATOM 0 HA SER A 116 -6.035 -30.476 -2.619 1.00 0.00 H new ATOM 0 HB2 SER A 116 -6.607 -32.373 -4.357 1.00 0.00 H new ATOM 0 HB3 SER A 116 -4.881 -32.398 -4.655 1.00 0.00 H new ATOM 0 HG SER A 116 -5.506 -33.885 -2.989 1.00 0.00 H new