USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 759 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 37 SER OG : rot 180:sc= -0.0169 USER MOD Set 1.2: A 73 SER OG : rot -23:sc= 0.00967 USER MOD Set 1.3: A 75 GLN : amide:sc= -1.34 X(o=-1.3,f=-0.91) USER MOD Set 2.1: A 50 THR OG1 : rot 180:sc= -0.327 USER MOD Set 2.2: A 69 THR OG1 : rot 46:sc= 0.982 USER MOD Set 3.1: A 47 ASN : amide:sc= 0.378 X(o=-0.17,f=-0.26) USER MOD Set 3.2: A 49 GLN : amide:sc= -0.547 X(o=-0.17,f=-0.24) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -162:sc= 0.403 USER MOD Single : A 31 SER OG : rot 180:sc= -0.0587 USER MOD Single : A 45 LYS NZ :NH3+ -161:sc= -0.0213 (180deg=-0.231) USER MOD Single : A 52 THR OG1 : rot 135:sc= 2.1 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.978 X(o=-0.98,f=-0.6) USER MOD Single : A 67 ASN : amide:sc= -2.8! C(o=-2.8!,f=-6!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.166 K(o=-0.17,f=-0.84) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.426 X(o=-0.43,f=-0.43) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 155:sc= -0.52 (180deg=-0.808) USER MOD Single : A 87 TYR OH : rot 180:sc= -0.181 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -2.85! C(o=-2.9!,f=-2.4!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -83:sc= 0.0118 USER MOD Single : A 104 GLN : amide:sc= 0.316 K(o=0.32,f=-7.7!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -153:sc= 0.309 USER MOD Single : A 111 GLN : amide:sc= -0.496 X(o=-0.5,f=-0.86) USER MOD ----------------------------------------------------------------- ATOM 178 N VAL A 16 -2.646 21.597 3.524 1.00 0.00 N ATOM 179 CA VAL A 16 -3.503 21.552 2.345 1.00 0.00 C ATOM 180 C VAL A 16 -3.554 20.147 1.755 1.00 0.00 C ATOM 181 O VAL A 16 -4.359 19.863 0.868 1.00 0.00 O ATOM 182 CB VAL A 16 -3.018 22.534 1.262 1.00 0.00 C ATOM 183 CG1 VAL A 16 -3.218 23.972 1.716 1.00 0.00 C ATOM 184 CG2 VAL A 16 -1.559 22.273 0.920 1.00 0.00 C ATOM 0 HA VAL A 16 -4.502 21.843 2.669 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.612 22.376 0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.870 24.651 0.938 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.277 24.150 1.905 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.651 24.147 2.631 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.234 22.976 0.153 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.947 22.401 1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.449 21.254 0.548 1.00 0.00 H new ATOM 194 N LEU A 17 -2.688 19.271 2.254 1.00 0.00 N ATOM 195 CA LEU A 17 -2.634 17.893 1.777 1.00 0.00 C ATOM 196 C LEU A 17 -3.854 17.107 2.246 1.00 0.00 C ATOM 197 O LEU A 17 -4.492 17.440 3.245 1.00 0.00 O ATOM 198 CB LEU A 17 -1.355 17.213 2.267 1.00 0.00 C ATOM 199 CG LEU A 17 -0.068 17.598 1.537 1.00 0.00 C ATOM 200 CD1 LEU A 17 -0.330 17.771 0.049 1.00 0.00 C ATOM 201 CD2 LEU A 17 0.520 18.871 2.128 1.00 0.00 C ATOM 0 H LEU A 17 -2.014 19.490 2.988 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.633 17.911 0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.230 17.439 3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.487 16.134 2.185 1.00 0.00 H new ATOM 0 HG LEU A 17 0.655 16.793 1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.597 18.045 -0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.705 16.835 -0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.070 18.557 -0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.436 19.130 1.596 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.199 19.684 2.029 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.746 18.712 3.183 1.00 0.00 H new ATOM 213 N PRO A 18 -4.186 16.035 1.511 1.00 0.00 N ATOM 214 CA PRO A 18 -5.330 15.177 1.834 1.00 0.00 C ATOM 215 C PRO A 18 -5.101 14.359 3.100 1.00 0.00 C ATOM 216 O PRO A 18 -3.970 13.989 3.415 1.00 0.00 O ATOM 217 CB PRO A 18 -5.438 14.257 0.615 1.00 0.00 C ATOM 218 CG PRO A 18 -4.063 14.223 0.043 1.00 0.00 C ATOM 219 CD PRO A 18 -3.471 15.579 0.307 1.00 0.00 C ATOM 0 HA PRO A 18 -6.232 15.756 2.029 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.773 13.260 0.900 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.158 14.640 -0.108 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -3.466 13.439 0.509 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.090 14.010 -1.026 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.396 15.522 0.476 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.626 16.256 -0.533 1.00 0.00 H new ATOM 227 N SER A 19 -6.181 14.079 3.822 1.00 0.00 N ATOM 228 CA SER A 19 -6.097 13.307 5.056 1.00 0.00 C ATOM 229 C SER A 19 -5.983 11.815 4.757 1.00 0.00 C ATOM 230 O SER A 19 -6.821 11.245 4.059 1.00 0.00 O ATOM 231 CB SER A 19 -7.324 13.570 5.932 1.00 0.00 C ATOM 232 OG SER A 19 -7.498 14.958 6.161 1.00 0.00 O ATOM 0 H SER A 19 -7.125 14.375 3.574 1.00 0.00 H new ATOM 0 HA SER A 19 -5.202 13.622 5.592 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.213 13.163 5.450 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.213 13.052 6.885 1.00 0.00 H new ATOM 0 HG SER A 19 -8.289 15.100 6.722 1.00 0.00 H new ATOM 238 N ALA A 20 -4.939 11.189 5.291 1.00 0.00 N ATOM 239 CA ALA A 20 -4.715 9.764 5.083 1.00 0.00 C ATOM 240 C ALA A 20 -6.026 8.987 5.147 1.00 0.00 C ATOM 241 O ALA A 20 -6.960 9.355 5.860 1.00 0.00 O ATOM 242 CB ALA A 20 -3.732 9.229 6.113 1.00 0.00 C ATOM 0 H ALA A 20 -4.235 11.647 5.871 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.291 9.629 4.088 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.574 8.164 5.946 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.783 9.756 6.018 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.134 9.384 7.114 1.00 0.00 H new ATOM 248 N PRO A 21 -6.100 7.886 4.384 1.00 0.00 N ATOM 249 CA PRO A 21 -7.293 7.035 4.337 1.00 0.00 C ATOM 250 C PRO A 21 -7.509 6.268 5.637 1.00 0.00 C ATOM 251 O PRO A 21 -6.554 5.945 6.345 1.00 0.00 O ATOM 252 CB PRO A 21 -6.993 6.068 3.189 1.00 0.00 C ATOM 253 CG PRO A 21 -5.506 6.019 3.114 1.00 0.00 C ATOM 254 CD PRO A 21 -5.026 7.388 3.510 1.00 0.00 C ATOM 0 HA PRO A 21 -8.204 7.617 4.196 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.412 5.081 3.383 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.425 6.419 2.252 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.106 5.257 3.783 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.174 5.765 2.107 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.071 7.343 4.033 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -4.884 8.031 2.641 1.00 0.00 H new ATOM 262 N ARG A 22 -8.769 5.978 5.945 1.00 0.00 N ATOM 263 CA ARG A 22 -9.110 5.249 7.161 1.00 0.00 C ATOM 264 C ARG A 22 -8.470 3.864 7.162 1.00 0.00 C ATOM 265 O ARG A 22 -7.905 3.430 6.158 1.00 0.00 O ATOM 266 CB ARG A 22 -10.628 5.121 7.296 1.00 0.00 C ATOM 267 CG ARG A 22 -11.235 4.069 6.381 1.00 0.00 C ATOM 268 CD ARG A 22 -11.387 2.734 7.092 1.00 0.00 C ATOM 269 NE ARG A 22 -12.174 2.852 8.317 1.00 0.00 N ATOM 270 CZ ARG A 22 -12.508 1.817 9.079 1.00 0.00 C ATOM 271 NH1 ARG A 22 -12.125 0.593 8.744 1.00 0.00 N ATOM 272 NH2 ARG A 22 -13.226 2.005 10.178 1.00 0.00 N ATOM 0 H ARG A 22 -9.570 6.237 5.369 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.723 5.810 8.011 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -10.873 4.876 8.330 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.086 6.086 7.080 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -12.209 4.409 6.030 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -10.605 3.944 5.500 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -11.864 2.019 6.422 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -10.401 2.337 7.332 1.00 0.00 H new ATOM 0 HE ARG A 22 -12.484 3.781 8.603 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.573 0.445 7.899 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.383 -0.201 9.331 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.522 2.945 10.439 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.482 1.209 10.762 1.00 0.00 H new ATOM 286 N ASP A 23 -8.563 3.175 8.294 1.00 0.00 N ATOM 287 CA ASP A 23 -7.994 1.839 8.425 1.00 0.00 C ATOM 288 C ASP A 23 -8.247 1.015 7.167 1.00 0.00 C ATOM 289 O ASP A 23 -9.339 0.482 6.970 1.00 0.00 O ATOM 290 CB ASP A 23 -8.585 1.128 9.644 1.00 0.00 C ATOM 291 CG ASP A 23 -7.996 1.628 10.948 1.00 0.00 C ATOM 292 OD1 ASP A 23 -6.863 1.222 11.282 1.00 0.00 O ATOM 293 OD2 ASP A 23 -8.669 2.425 11.636 1.00 0.00 O ATOM 0 H ASP A 23 -9.027 3.520 9.134 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.917 1.940 8.560 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.665 1.273 9.657 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.409 0.056 9.557 1.00 0.00 H new ATOM 298 N VAL A 24 -7.230 0.914 6.317 1.00 0.00 N ATOM 299 CA VAL A 24 -7.342 0.155 5.078 1.00 0.00 C ATOM 300 C VAL A 24 -7.457 -1.339 5.357 1.00 0.00 C ATOM 301 O VAL A 24 -6.601 -1.926 6.019 1.00 0.00 O ATOM 302 CB VAL A 24 -6.132 0.402 4.157 1.00 0.00 C ATOM 303 CG1 VAL A 24 -6.245 -0.434 2.891 1.00 0.00 C ATOM 304 CG2 VAL A 24 -6.012 1.880 3.820 1.00 0.00 C ATOM 0 H VAL A 24 -6.319 1.349 6.464 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.247 0.499 4.577 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.228 0.099 4.685 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -5.382 -0.246 2.253 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.278 -1.491 3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.156 -0.164 2.357 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.152 2.036 3.169 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -6.917 2.212 3.312 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.881 2.453 4.738 1.00 0.00 H new ATOM 314 N VAL A 25 -8.522 -1.951 4.847 1.00 0.00 N ATOM 315 CA VAL A 25 -8.750 -3.378 5.040 1.00 0.00 C ATOM 316 C VAL A 25 -8.720 -4.124 3.711 1.00 0.00 C ATOM 317 O VAL A 25 -9.330 -3.711 2.725 1.00 0.00 O ATOM 318 CB VAL A 25 -10.099 -3.642 5.735 1.00 0.00 C ATOM 319 CG1 VAL A 25 -10.105 -3.046 7.134 1.00 0.00 C ATOM 320 CG2 VAL A 25 -11.244 -3.084 4.903 1.00 0.00 C ATOM 0 H VAL A 25 -9.240 -1.480 4.297 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.944 -3.744 5.677 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.237 -4.719 5.825 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.066 -3.243 7.609 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.309 -3.498 7.725 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.945 -1.970 7.072 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.190 -3.279 5.408 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.114 -2.009 4.779 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.250 -3.564 3.924 1.00 0.00 H new ATOM 330 N PRO A 26 -7.993 -5.251 3.681 1.00 0.00 N ATOM 331 CA PRO A 26 -7.867 -6.080 2.479 1.00 0.00 C ATOM 332 C PRO A 26 -9.168 -6.793 2.127 1.00 0.00 C ATOM 333 O PRO A 26 -9.335 -7.978 2.416 1.00 0.00 O ATOM 334 CB PRO A 26 -6.786 -7.095 2.860 1.00 0.00 C ATOM 335 CG PRO A 26 -6.850 -7.176 4.346 1.00 0.00 C ATOM 336 CD PRO A 26 -7.239 -5.803 4.819 1.00 0.00 C ATOM 0 HA PRO A 26 -7.622 -5.486 1.598 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -6.975 -8.066 2.402 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.802 -6.770 2.523 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.580 -7.920 4.665 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.888 -7.474 4.762 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.849 -5.847 5.722 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.365 -5.196 5.054 1.00 0.00 H new ATOM 344 N VAL A 27 -10.087 -6.064 1.502 1.00 0.00 N ATOM 345 CA VAL A 27 -11.372 -6.628 1.109 1.00 0.00 C ATOM 346 C VAL A 27 -11.204 -8.027 0.526 1.00 0.00 C ATOM 347 O VAL A 27 -12.017 -8.918 0.776 1.00 0.00 O ATOM 348 CB VAL A 27 -12.085 -5.735 0.075 1.00 0.00 C ATOM 349 CG1 VAL A 27 -12.565 -4.446 0.724 1.00 0.00 C ATOM 350 CG2 VAL A 27 -11.163 -5.440 -1.098 1.00 0.00 C ATOM 0 H VAL A 27 -9.965 -5.081 1.257 1.00 0.00 H new ATOM 0 HA VAL A 27 -11.981 -6.684 2.011 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.957 -6.270 -0.303 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -13.066 -3.828 -0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -13.262 -4.681 1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.711 -3.904 1.131 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.682 -4.808 -1.819 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.272 -4.925 -0.740 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.873 -6.375 -1.577 1.00 0.00 H new ATOM 360 N LEU A 28 -10.144 -8.214 -0.252 1.00 0.00 N ATOM 361 CA LEU A 28 -9.868 -9.505 -0.871 1.00 0.00 C ATOM 362 C LEU A 28 -8.381 -9.840 -0.793 1.00 0.00 C ATOM 363 O LEU A 28 -7.538 -8.948 -0.696 1.00 0.00 O ATOM 364 CB LEU A 28 -10.325 -9.502 -2.331 1.00 0.00 C ATOM 365 CG LEU A 28 -9.767 -10.620 -3.212 1.00 0.00 C ATOM 366 CD1 LEU A 28 -10.773 -11.006 -4.286 1.00 0.00 C ATOM 367 CD2 LEU A 28 -8.448 -10.195 -3.842 1.00 0.00 C ATOM 0 H LEU A 28 -9.461 -7.488 -0.469 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.423 -10.267 -0.325 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.413 -9.561 -2.350 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.050 -8.545 -2.775 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.583 -11.493 -2.585 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.358 -11.803 -4.903 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.693 -11.353 -3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.990 -10.139 -4.910 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.066 -11.003 -4.466 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.607 -9.308 -4.455 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.726 -9.969 -3.057 1.00 0.00 H new ATOM 379 N VAL A 29 -8.067 -11.130 -0.839 1.00 0.00 N ATOM 380 CA VAL A 29 -6.683 -11.583 -0.776 1.00 0.00 C ATOM 381 C VAL A 29 -6.440 -12.744 -1.734 1.00 0.00 C ATOM 382 O VAL A 29 -7.205 -13.709 -1.762 1.00 0.00 O ATOM 383 CB VAL A 29 -6.298 -12.019 0.650 1.00 0.00 C ATOM 384 CG1 VAL A 29 -4.859 -12.510 0.689 1.00 0.00 C ATOM 385 CG2 VAL A 29 -6.507 -10.875 1.631 1.00 0.00 C ATOM 0 H VAL A 29 -8.753 -11.881 -0.920 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.061 -10.738 -1.069 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.946 -12.844 0.946 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.606 -12.814 1.705 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.747 -13.361 0.017 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.192 -11.708 0.373 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.230 -11.200 2.634 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.886 -10.028 1.340 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.555 -10.576 1.623 1.00 0.00 H new ATOM 395 N SER A 30 -5.371 -12.645 -2.517 1.00 0.00 N ATOM 396 CA SER A 30 -5.029 -13.686 -3.479 1.00 0.00 C ATOM 397 C SER A 30 -3.591 -14.158 -3.281 1.00 0.00 C ATOM 398 O SER A 30 -2.728 -13.392 -2.853 1.00 0.00 O ATOM 399 CB SER A 30 -5.217 -13.172 -4.907 1.00 0.00 C ATOM 400 OG SER A 30 -4.605 -14.039 -5.847 1.00 0.00 O ATOM 0 H SER A 30 -4.727 -11.854 -2.504 1.00 0.00 H new ATOM 0 HA SER A 30 -5.696 -14.532 -3.314 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.281 -13.084 -5.128 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.789 -12.173 -4.997 1.00 0.00 H new ATOM 0 HG SER A 30 -4.478 -13.565 -6.695 1.00 0.00 H new ATOM 406 N SER A 31 -3.342 -15.425 -3.596 1.00 0.00 N ATOM 407 CA SER A 31 -2.011 -16.002 -3.450 1.00 0.00 C ATOM 408 C SER A 31 -1.019 -15.325 -4.391 1.00 0.00 C ATOM 409 O SER A 31 0.192 -15.505 -4.268 1.00 0.00 O ATOM 410 CB SER A 31 -2.050 -17.506 -3.727 1.00 0.00 C ATOM 411 OG SER A 31 -2.367 -17.766 -5.084 1.00 0.00 O ATOM 0 H SER A 31 -4.045 -16.072 -3.954 1.00 0.00 H new ATOM 0 HA SER A 31 -1.682 -15.838 -2.424 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.084 -17.949 -3.484 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.789 -17.979 -3.080 1.00 0.00 H new ATOM 0 HG SER A 31 -2.384 -18.734 -5.236 1.00 0.00 H new ATOM 417 N ARG A 32 -1.544 -14.546 -5.332 1.00 0.00 N ATOM 418 CA ARG A 32 -0.706 -13.843 -6.296 1.00 0.00 C ATOM 419 C ARG A 32 -0.802 -12.332 -6.100 1.00 0.00 C ATOM 420 O ARG A 32 0.195 -11.617 -6.208 1.00 0.00 O ATOM 421 CB ARG A 32 -1.116 -14.209 -7.723 1.00 0.00 C ATOM 422 CG ARG A 32 -0.360 -15.401 -8.287 1.00 0.00 C ATOM 423 CD ARG A 32 -0.641 -16.666 -7.491 1.00 0.00 C ATOM 424 NE ARG A 32 -0.277 -17.871 -8.232 1.00 0.00 N ATOM 425 CZ ARG A 32 -0.894 -18.268 -9.339 1.00 0.00 C ATOM 426 NH1 ARG A 32 -1.900 -17.558 -9.832 1.00 0.00 N ATOM 427 NH2 ARG A 32 -0.505 -19.376 -9.957 1.00 0.00 N ATOM 0 H ARG A 32 -2.545 -14.386 -5.447 1.00 0.00 H new ATOM 0 HA ARG A 32 0.327 -14.149 -6.132 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.184 -14.425 -7.741 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.954 -13.347 -8.371 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.644 -15.554 -9.328 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.710 -15.193 -8.276 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.086 -16.635 -6.554 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.699 -16.705 -7.233 1.00 0.00 H new ATOM 0 HE ARG A 32 0.494 -18.439 -7.880 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.201 -16.705 -9.361 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.372 -17.865 -10.682 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.269 -19.924 -9.582 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.980 -19.679 -10.807 1.00 0.00 H new ATOM 441 N PHE A 33 -2.008 -11.854 -5.812 1.00 0.00 N ATOM 442 CA PHE A 33 -2.235 -10.429 -5.602 1.00 0.00 C ATOM 443 C PHE A 33 -3.040 -10.188 -4.329 1.00 0.00 C ATOM 444 O PHE A 33 -3.421 -11.130 -3.634 1.00 0.00 O ATOM 445 CB PHE A 33 -2.965 -9.825 -6.804 1.00 0.00 C ATOM 446 CG PHE A 33 -4.433 -10.141 -6.833 1.00 0.00 C ATOM 447 CD1 PHE A 33 -5.337 -9.361 -6.129 1.00 0.00 C ATOM 448 CD2 PHE A 33 -4.910 -11.217 -7.564 1.00 0.00 C ATOM 449 CE1 PHE A 33 -6.689 -9.650 -6.154 1.00 0.00 C ATOM 450 CE2 PHE A 33 -6.260 -11.510 -7.593 1.00 0.00 C ATOM 451 CZ PHE A 33 -7.151 -10.725 -6.888 1.00 0.00 C ATOM 0 H PHE A 33 -2.843 -12.432 -5.719 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.265 -9.944 -5.494 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.834 -8.743 -6.792 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.504 -10.192 -7.721 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.982 -8.518 -5.555 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.218 -11.834 -8.118 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -7.383 -9.036 -5.600 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.618 -12.352 -8.167 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.207 -10.951 -6.911 1.00 0.00 H new ATOM 461 N VAL A 34 -3.296 -8.918 -4.029 1.00 0.00 N ATOM 462 CA VAL A 34 -4.056 -8.552 -2.840 1.00 0.00 C ATOM 463 C VAL A 34 -4.800 -7.237 -3.047 1.00 0.00 C ATOM 464 O VAL A 34 -4.186 -6.176 -3.160 1.00 0.00 O ATOM 465 CB VAL A 34 -3.143 -8.423 -1.607 1.00 0.00 C ATOM 466 CG1 VAL A 34 -3.943 -7.973 -0.394 1.00 0.00 C ATOM 467 CG2 VAL A 34 -2.434 -9.741 -1.330 1.00 0.00 C ATOM 0 H VAL A 34 -2.988 -8.126 -4.593 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.777 -9.351 -2.667 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.387 -7.666 -1.814 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.281 -7.888 0.467 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.400 -7.005 -0.598 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.723 -8.704 -0.181 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.793 -9.632 -0.455 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.173 -10.520 -1.143 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.827 -10.016 -2.193 1.00 0.00 H new ATOM 477 N ARG A 35 -6.126 -7.315 -3.097 1.00 0.00 N ATOM 478 CA ARG A 35 -6.954 -6.131 -3.291 1.00 0.00 C ATOM 479 C ARG A 35 -7.149 -5.382 -1.976 1.00 0.00 C ATOM 480 O ARG A 35 -7.180 -5.987 -0.903 1.00 0.00 O ATOM 481 CB ARG A 35 -8.313 -6.523 -3.873 1.00 0.00 C ATOM 482 CG ARG A 35 -9.059 -5.364 -4.513 1.00 0.00 C ATOM 483 CD ARG A 35 -10.454 -5.776 -4.957 1.00 0.00 C ATOM 484 NE ARG A 35 -10.425 -6.929 -5.853 1.00 0.00 N ATOM 485 CZ ARG A 35 -11.384 -7.200 -6.732 1.00 0.00 C ATOM 486 NH1 ARG A 35 -12.441 -6.406 -6.832 1.00 0.00 N ATOM 487 NH2 ARG A 35 -11.286 -8.269 -7.513 1.00 0.00 N ATOM 0 H ARG A 35 -6.650 -8.186 -3.006 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.442 -5.472 -3.992 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.168 -7.306 -4.617 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.929 -6.947 -3.080 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.131 -4.540 -3.803 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.496 -4.997 -5.372 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.058 -6.013 -4.081 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -10.937 -4.938 -5.460 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.625 -7.560 -5.801 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -12.520 -5.584 -6.233 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -13.175 -6.617 -7.508 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.475 -8.882 -7.438 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.022 -8.477 -8.188 1.00 0.00 H new ATOM 501 N LEU A 36 -7.279 -4.063 -2.066 1.00 0.00 N ATOM 502 CA LEU A 36 -7.471 -3.231 -0.883 1.00 0.00 C ATOM 503 C LEU A 36 -8.451 -2.097 -1.168 1.00 0.00 C ATOM 504 O LEU A 36 -8.384 -1.454 -2.215 1.00 0.00 O ATOM 505 CB LEU A 36 -6.131 -2.657 -0.417 1.00 0.00 C ATOM 506 CG LEU A 36 -4.956 -3.635 -0.388 1.00 0.00 C ATOM 507 CD1 LEU A 36 -3.648 -2.905 -0.652 1.00 0.00 C ATOM 508 CD2 LEU A 36 -4.902 -4.365 0.946 1.00 0.00 C ATOM 0 H LEU A 36 -7.255 -3.547 -2.945 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.887 -3.856 -0.093 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.869 -1.824 -1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.262 -2.248 0.585 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.102 -4.373 -1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.823 -3.617 -0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.688 -2.429 -1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.494 -2.145 0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.060 -5.057 0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.780 -3.641 1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.828 -4.920 1.095 1.00 0.00 H new ATOM 520 N SER A 37 -9.359 -1.856 -0.227 1.00 0.00 N ATOM 521 CA SER A 37 -10.353 -0.801 -0.378 1.00 0.00 C ATOM 522 C SER A 37 -10.289 0.177 0.792 1.00 0.00 C ATOM 523 O SER A 37 -10.252 -0.229 1.953 1.00 0.00 O ATOM 524 CB SER A 37 -11.756 -1.403 -0.477 1.00 0.00 C ATOM 525 OG SER A 37 -12.667 -0.483 -1.051 1.00 0.00 O ATOM 0 H SER A 37 -9.426 -2.377 0.647 1.00 0.00 H new ATOM 0 HA SER A 37 -10.133 -0.257 -1.297 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.724 -2.311 -1.079 1.00 0.00 H new ATOM 0 HB3 SER A 37 -12.102 -1.691 0.516 1.00 0.00 H new ATOM 0 HG SER A 37 -13.556 -0.893 -1.105 1.00 0.00 H new ATOM 531 N TRP A 38 -10.276 1.467 0.475 1.00 0.00 N ATOM 532 CA TRP A 38 -10.216 2.504 1.499 1.00 0.00 C ATOM 533 C TRP A 38 -11.178 3.642 1.178 1.00 0.00 C ATOM 534 O TRP A 38 -11.847 3.629 0.145 1.00 0.00 O ATOM 535 CB TRP A 38 -8.791 3.044 1.625 1.00 0.00 C ATOM 536 CG TRP A 38 -8.216 3.511 0.321 1.00 0.00 C ATOM 537 CD1 TRP A 38 -8.189 4.792 -0.150 1.00 0.00 C ATOM 538 CD2 TRP A 38 -7.588 2.700 -0.677 1.00 0.00 C ATOM 539 NE1 TRP A 38 -7.582 4.827 -1.382 1.00 0.00 N ATOM 540 CE2 TRP A 38 -7.203 3.557 -1.728 1.00 0.00 C ATOM 541 CE3 TRP A 38 -7.310 1.335 -0.786 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -6.558 3.090 -2.870 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -6.670 0.874 -1.920 1.00 0.00 C ATOM 544 CH2 TRP A 38 -6.299 1.749 -2.950 1.00 0.00 C ATOM 0 H TRP A 38 -10.306 1.820 -0.482 1.00 0.00 H new ATOM 0 HA TRP A 38 -10.513 2.059 2.449 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -8.785 3.872 2.334 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -8.150 2.265 2.039 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -8.586 5.651 0.369 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -7.437 5.663 -1.948 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -7.591 0.652 0.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -6.272 3.763 -3.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.452 -0.179 -2.015 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -5.799 1.357 -3.824 1.00 0.00 H new ATOM 555 N ARG A 39 -11.242 4.626 2.069 1.00 0.00 N ATOM 556 CA ARG A 39 -12.124 5.772 1.880 1.00 0.00 C ATOM 557 C ARG A 39 -11.341 6.984 1.383 1.00 0.00 C ATOM 558 O ARG A 39 -10.174 7.181 1.720 1.00 0.00 O ATOM 559 CB ARG A 39 -12.838 6.115 3.188 1.00 0.00 C ATOM 560 CG ARG A 39 -11.896 6.528 4.307 1.00 0.00 C ATOM 561 CD ARG A 39 -11.671 8.032 4.319 1.00 0.00 C ATOM 562 NE ARG A 39 -12.724 8.737 5.045 1.00 0.00 N ATOM 563 CZ ARG A 39 -12.632 10.006 5.425 1.00 0.00 C ATOM 564 NH1 ARG A 39 -11.540 10.707 5.148 1.00 0.00 N ATOM 565 NH2 ARG A 39 -13.632 10.578 6.082 1.00 0.00 N ATOM 0 H ARG A 39 -10.694 4.653 2.929 1.00 0.00 H new ATOM 0 HA ARG A 39 -12.867 5.506 1.128 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -13.546 6.923 3.004 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -13.418 5.251 3.513 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -12.308 6.213 5.266 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -10.941 6.017 4.187 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -10.706 8.251 4.777 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -11.628 8.400 3.294 1.00 0.00 H new ATOM 0 HE ARG A 39 -13.577 8.226 5.273 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.769 10.271 4.642 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.472 11.682 5.441 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -14.474 10.043 6.296 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -13.559 11.553 6.373 1.00 0.00 H new ATOM 579 N PRO A 40 -11.998 7.816 0.561 1.00 0.00 N ATOM 580 CA PRO A 40 -11.383 9.023 0.000 1.00 0.00 C ATOM 581 C PRO A 40 -11.144 10.097 1.056 1.00 0.00 C ATOM 582 O PRO A 40 -11.855 10.186 2.057 1.00 0.00 O ATOM 583 CB PRO A 40 -12.413 9.502 -1.026 1.00 0.00 C ATOM 584 CG PRO A 40 -13.712 8.958 -0.541 1.00 0.00 C ATOM 585 CD PRO A 40 -13.391 7.644 0.116 1.00 0.00 C ATOM 0 HA PRO A 40 -10.400 8.819 -0.425 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.437 10.590 -1.085 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.178 9.134 -2.025 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -14.183 9.643 0.165 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -14.410 8.821 -1.367 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -14.058 7.440 0.954 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -13.490 6.812 -0.581 1.00 0.00 H new ATOM 593 N PRO A 41 -10.120 10.933 0.830 1.00 0.00 N ATOM 594 CA PRO A 41 -9.765 12.017 1.751 1.00 0.00 C ATOM 595 C PRO A 41 -10.803 13.134 1.759 1.00 0.00 C ATOM 596 O PRO A 41 -10.788 14.014 0.900 1.00 0.00 O ATOM 597 CB PRO A 41 -8.433 12.529 1.199 1.00 0.00 C ATOM 598 CG PRO A 41 -8.460 12.173 -0.248 1.00 0.00 C ATOM 599 CD PRO A 41 -9.230 10.885 -0.343 1.00 0.00 C ATOM 0 HA PRO A 41 -9.710 11.673 2.784 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.334 13.605 1.340 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.589 12.062 1.706 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -8.938 12.958 -0.834 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.450 12.054 -0.639 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.794 10.822 -1.273 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.569 10.019 -0.311 1.00 0.00 H new ATOM 607 N ALA A 42 -11.703 13.091 2.736 1.00 0.00 N ATOM 608 CA ALA A 42 -12.747 14.102 2.858 1.00 0.00 C ATOM 609 C ALA A 42 -12.248 15.466 2.393 1.00 0.00 C ATOM 610 O ALA A 42 -12.938 16.172 1.660 1.00 0.00 O ATOM 611 CB ALA A 42 -13.241 14.179 4.294 1.00 0.00 C ATOM 0 H ALA A 42 -11.730 12.367 3.454 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.578 13.811 2.215 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.020 14.938 4.371 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.646 13.212 4.592 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.412 14.443 4.950 1.00 0.00 H new ATOM 617 N GLU A 43 -11.044 15.829 2.826 1.00 0.00 N ATOM 618 CA GLU A 43 -10.454 17.110 2.455 1.00 0.00 C ATOM 619 C GLU A 43 -9.350 16.920 1.419 1.00 0.00 C ATOM 620 O GLU A 43 -8.173 16.813 1.763 1.00 0.00 O ATOM 621 CB GLU A 43 -9.893 17.815 3.691 1.00 0.00 C ATOM 622 CG GLU A 43 -10.932 18.618 4.458 1.00 0.00 C ATOM 623 CD GLU A 43 -10.318 19.741 5.270 1.00 0.00 C ATOM 624 OE1 GLU A 43 -9.351 19.473 6.015 1.00 0.00 O ATOM 625 OE2 GLU A 43 -10.803 20.886 5.162 1.00 0.00 O ATOM 0 H GLU A 43 -10.459 15.255 3.433 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.237 17.729 2.017 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.457 17.070 4.357 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.086 18.480 3.385 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.654 19.035 3.756 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.482 17.952 5.123 1.00 0.00 H new ATOM 632 N ALA A 44 -9.739 16.879 0.149 1.00 0.00 N ATOM 633 CA ALA A 44 -8.783 16.704 -0.938 1.00 0.00 C ATOM 634 C ALA A 44 -8.124 18.029 -1.307 1.00 0.00 C ATOM 635 O ALA A 44 -6.955 18.066 -1.694 1.00 0.00 O ATOM 636 CB ALA A 44 -9.470 16.097 -2.152 1.00 0.00 C ATOM 0 H ALA A 44 -10.710 16.965 -0.153 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.003 16.023 -0.598 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.745 15.972 -2.956 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -9.888 15.126 -1.886 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -10.270 16.758 -2.485 1.00 0.00 H new ATOM 642 N LYS A 45 -8.880 19.115 -1.187 1.00 0.00 N ATOM 643 CA LYS A 45 -8.370 20.442 -1.508 1.00 0.00 C ATOM 644 C LYS A 45 -7.957 20.527 -2.974 1.00 0.00 C ATOM 645 O LYS A 45 -6.855 20.972 -3.294 1.00 0.00 O ATOM 646 CB LYS A 45 -7.179 20.784 -0.611 1.00 0.00 C ATOM 647 CG LYS A 45 -7.568 21.502 0.670 1.00 0.00 C ATOM 648 CD LYS A 45 -8.206 20.552 1.670 1.00 0.00 C ATOM 649 CE LYS A 45 -9.718 20.507 1.510 1.00 0.00 C ATOM 650 NZ LYS A 45 -10.361 21.771 1.965 1.00 0.00 N ATOM 0 H LYS A 45 -9.849 19.102 -0.869 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.169 21.163 -1.332 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.651 19.865 -0.356 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.481 21.408 -1.170 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.684 21.960 1.114 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.263 22.309 0.439 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.795 19.551 1.536 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.956 20.867 2.683 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.968 20.329 0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.119 19.669 2.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.371 21.601 2.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.902 22.099 2.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.260 22.497 1.227 1.00 0.00 H new ATOM 664 N GLY A 46 -8.848 20.097 -3.862 1.00 0.00 N ATOM 665 CA GLY A 46 -8.558 20.134 -5.283 1.00 0.00 C ATOM 666 C GLY A 46 -9.032 18.888 -6.004 1.00 0.00 C ATOM 667 O GLY A 46 -10.186 18.484 -5.867 1.00 0.00 O ATOM 0 H GLY A 46 -9.766 19.723 -3.622 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.034 21.009 -5.725 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -7.484 20.248 -5.429 1.00 0.00 H new ATOM 671 N ASN A 47 -8.139 18.277 -6.777 1.00 0.00 N ATOM 672 CA ASN A 47 -8.474 17.071 -7.525 1.00 0.00 C ATOM 673 C ASN A 47 -7.334 16.059 -7.465 1.00 0.00 C ATOM 674 O ASN A 47 -6.194 16.373 -7.808 1.00 0.00 O ATOM 675 CB ASN A 47 -8.785 17.419 -8.983 1.00 0.00 C ATOM 676 CG ASN A 47 -9.107 16.192 -9.814 1.00 0.00 C ATOM 677 OD1 ASN A 47 -8.385 15.859 -10.754 1.00 0.00 O ATOM 678 ND2 ASN A 47 -10.196 15.515 -9.471 1.00 0.00 N ATOM 0 H ASN A 47 -7.179 18.597 -6.901 1.00 0.00 H new ATOM 0 HA ASN A 47 -9.357 16.625 -7.068 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -9.628 18.109 -9.017 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -7.931 17.937 -9.420 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -10.464 14.681 -9.994 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -10.765 15.828 -8.684 1.00 0.00 H new ATOM 685 N ILE A 48 -7.650 14.846 -7.026 1.00 0.00 N ATOM 686 CA ILE A 48 -6.652 13.788 -6.922 1.00 0.00 C ATOM 687 C ILE A 48 -6.490 13.053 -8.248 1.00 0.00 C ATOM 688 O ILE A 48 -7.470 12.770 -8.935 1.00 0.00 O ATOM 689 CB ILE A 48 -7.023 12.771 -5.826 1.00 0.00 C ATOM 690 CG1 ILE A 48 -7.128 13.467 -4.468 1.00 0.00 C ATOM 691 CG2 ILE A 48 -5.995 11.650 -5.775 1.00 0.00 C ATOM 692 CD1 ILE A 48 -7.749 12.602 -3.393 1.00 0.00 C ATOM 0 H ILE A 48 -8.589 14.571 -6.737 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.709 14.267 -6.658 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.994 12.337 -6.066 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.132 13.772 -4.147 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.720 14.376 -4.579 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -6.270 10.939 -4.996 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.965 11.140 -6.738 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.012 12.067 -5.555 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -7.792 13.159 -2.457 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -8.758 12.318 -3.692 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -7.145 11.705 -3.254 1.00 0.00 H new ATOM 704 N GLN A 49 -5.245 12.747 -8.600 1.00 0.00 N ATOM 705 CA GLN A 49 -4.955 12.044 -9.844 1.00 0.00 C ATOM 706 C GLN A 49 -5.040 10.533 -9.648 1.00 0.00 C ATOM 707 O GLN A 49 -5.697 9.832 -10.418 1.00 0.00 O ATOM 708 CB GLN A 49 -3.565 12.425 -10.358 1.00 0.00 C ATOM 709 CG GLN A 49 -3.423 13.903 -10.686 1.00 0.00 C ATOM 710 CD GLN A 49 -4.622 14.453 -11.433 1.00 0.00 C ATOM 711 OE1 GLN A 49 -4.651 14.458 -12.664 1.00 0.00 O ATOM 712 NE2 GLN A 49 -5.619 14.920 -10.692 1.00 0.00 N ATOM 0 H GLN A 49 -4.422 12.975 -8.042 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.701 12.340 -10.581 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.822 12.155 -9.607 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.344 11.840 -11.251 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.286 14.465 -9.762 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.526 14.053 -11.286 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.553 14.896 -9.674 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.452 15.303 -11.140 1.00 0.00 H new ATOM 721 N THR A 50 -4.370 10.037 -8.612 1.00 0.00 N ATOM 722 CA THR A 50 -4.369 8.610 -8.316 1.00 0.00 C ATOM 723 C THR A 50 -3.839 8.340 -6.913 1.00 0.00 C ATOM 724 O THR A 50 -3.373 9.251 -6.229 1.00 0.00 O ATOM 725 CB THR A 50 -3.519 7.826 -9.333 1.00 0.00 C ATOM 726 OG1 THR A 50 -3.550 6.428 -9.024 1.00 0.00 O ATOM 727 CG2 THR A 50 -2.079 8.319 -9.330 1.00 0.00 C ATOM 0 H THR A 50 -3.821 10.603 -7.964 1.00 0.00 H new ATOM 0 HA THR A 50 -5.404 8.273 -8.382 1.00 0.00 H new ATOM 0 HB THR A 50 -3.940 7.988 -10.325 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.008 5.937 -9.676 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.498 7.750 -10.056 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.056 9.376 -9.595 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.650 8.184 -8.337 1.00 0.00 H new ATOM 735 N PHE A 51 -3.912 7.083 -6.489 1.00 0.00 N ATOM 736 CA PHE A 51 -3.439 6.693 -5.166 1.00 0.00 C ATOM 737 C PHE A 51 -2.175 5.845 -5.268 1.00 0.00 C ATOM 738 O PHE A 51 -2.157 4.814 -5.940 1.00 0.00 O ATOM 739 CB PHE A 51 -4.528 5.918 -4.420 1.00 0.00 C ATOM 740 CG PHE A 51 -5.625 6.792 -3.882 1.00 0.00 C ATOM 741 CD1 PHE A 51 -6.530 7.396 -4.740 1.00 0.00 C ATOM 742 CD2 PHE A 51 -5.751 7.008 -2.520 1.00 0.00 C ATOM 743 CE1 PHE A 51 -7.540 8.201 -4.247 1.00 0.00 C ATOM 744 CE2 PHE A 51 -6.759 7.812 -2.022 1.00 0.00 C ATOM 745 CZ PHE A 51 -7.655 8.408 -2.887 1.00 0.00 C ATOM 0 H PHE A 51 -4.294 6.316 -7.043 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.202 7.600 -4.610 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.961 5.178 -5.093 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.073 5.371 -3.595 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.445 7.236 -5.805 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.054 6.543 -1.839 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.239 8.668 -4.926 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.846 7.974 -0.958 1.00 0.00 H new ATOM 0 HZ PHE A 51 -8.445 9.035 -2.500 1.00 0.00 H new ATOM 755 N THR A 52 -1.117 6.289 -4.596 1.00 0.00 N ATOM 756 CA THR A 52 0.153 5.573 -4.612 1.00 0.00 C ATOM 757 C THR A 52 0.237 4.577 -3.461 1.00 0.00 C ATOM 758 O THR A 52 0.537 4.948 -2.326 1.00 0.00 O ATOM 759 CB THR A 52 1.346 6.544 -4.523 1.00 0.00 C ATOM 760 OG1 THR A 52 1.150 7.644 -5.419 1.00 0.00 O ATOM 761 CG2 THR A 52 2.648 5.834 -4.861 1.00 0.00 C ATOM 0 H THR A 52 -1.114 7.140 -4.034 1.00 0.00 H new ATOM 0 HA THR A 52 0.201 5.035 -5.559 1.00 0.00 H new ATOM 0 HB THR A 52 1.408 6.916 -3.500 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.371 8.482 -4.961 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.476 6.540 -4.791 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.809 5.016 -4.159 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.594 5.437 -5.875 1.00 0.00 H new ATOM 769 N VAL A 53 -0.029 3.310 -3.761 1.00 0.00 N ATOM 770 CA VAL A 53 0.019 2.259 -2.752 1.00 0.00 C ATOM 771 C VAL A 53 1.370 1.553 -2.756 1.00 0.00 C ATOM 772 O VAL A 53 1.760 0.941 -3.751 1.00 0.00 O ATOM 773 CB VAL A 53 -1.093 1.216 -2.974 1.00 0.00 C ATOM 774 CG1 VAL A 53 -0.971 0.081 -1.969 1.00 0.00 C ATOM 775 CG2 VAL A 53 -2.463 1.872 -2.887 1.00 0.00 C ATOM 0 H VAL A 53 -0.280 2.986 -4.695 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.132 2.741 -1.786 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.979 0.796 -3.974 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.765 -0.645 -2.142 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.003 -0.406 -2.085 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.058 0.479 -0.958 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.237 1.121 -3.046 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.590 2.320 -1.902 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.545 2.645 -3.651 1.00 0.00 H new ATOM 785 N PHE A 54 2.081 1.642 -1.637 1.00 0.00 N ATOM 786 CA PHE A 54 3.391 1.013 -1.511 1.00 0.00 C ATOM 787 C PHE A 54 3.259 -0.417 -0.995 1.00 0.00 C ATOM 788 O PHE A 54 2.245 -0.784 -0.401 1.00 0.00 O ATOM 789 CB PHE A 54 4.283 1.826 -0.571 1.00 0.00 C ATOM 790 CG PHE A 54 4.803 3.094 -1.187 1.00 0.00 C ATOM 791 CD1 PHE A 54 3.947 4.149 -1.460 1.00 0.00 C ATOM 792 CD2 PHE A 54 6.148 3.230 -1.492 1.00 0.00 C ATOM 793 CE1 PHE A 54 4.424 5.316 -2.027 1.00 0.00 C ATOM 794 CE2 PHE A 54 6.630 4.395 -2.059 1.00 0.00 C ATOM 795 CZ PHE A 54 5.766 5.440 -2.326 1.00 0.00 C ATOM 0 H PHE A 54 1.772 2.144 -0.804 1.00 0.00 H new ATOM 0 HA PHE A 54 3.849 0.984 -2.500 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.720 2.073 0.329 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.127 1.210 -0.260 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.896 4.059 -1.227 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.827 2.417 -1.284 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.747 6.131 -2.236 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.680 4.488 -2.293 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.140 6.352 -2.768 1.00 0.00 H new ATOM 805 N PHE A 55 4.292 -1.221 -1.226 1.00 0.00 N ATOM 806 CA PHE A 55 4.292 -2.611 -0.786 1.00 0.00 C ATOM 807 C PHE A 55 5.716 -3.155 -0.703 1.00 0.00 C ATOM 808 O PHE A 55 6.589 -2.758 -1.474 1.00 0.00 O ATOM 809 CB PHE A 55 3.461 -3.470 -1.740 1.00 0.00 C ATOM 810 CG PHE A 55 3.804 -3.262 -3.188 1.00 0.00 C ATOM 811 CD1 PHE A 55 3.278 -2.191 -3.891 1.00 0.00 C ATOM 812 CD2 PHE A 55 4.653 -4.138 -3.845 1.00 0.00 C ATOM 813 CE1 PHE A 55 3.591 -1.998 -5.223 1.00 0.00 C ATOM 814 CE2 PHE A 55 4.971 -3.950 -5.177 1.00 0.00 C ATOM 815 CZ PHE A 55 4.440 -2.878 -5.867 1.00 0.00 C ATOM 0 H PHE A 55 5.140 -0.934 -1.715 1.00 0.00 H new ATOM 0 HA PHE A 55 3.848 -2.651 0.208 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.604 -4.521 -1.488 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.405 -3.248 -1.590 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.616 -1.499 -3.393 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.071 -4.978 -3.310 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.172 -1.160 -5.760 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.634 -4.640 -5.677 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.688 -2.728 -6.907 1.00 0.00 H new ATOM 825 N SER A 56 5.941 -4.066 0.238 1.00 0.00 N ATOM 826 CA SER A 56 7.259 -4.662 0.425 1.00 0.00 C ATOM 827 C SER A 56 7.145 -6.037 1.077 1.00 0.00 C ATOM 828 O SER A 56 6.083 -6.417 1.570 1.00 0.00 O ATOM 829 CB SER A 56 8.137 -3.749 1.282 1.00 0.00 C ATOM 830 OG SER A 56 7.635 -3.651 2.603 1.00 0.00 O ATOM 0 H SER A 56 5.228 -4.408 0.883 1.00 0.00 H new ATOM 0 HA SER A 56 7.720 -4.781 -0.555 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.156 -4.136 1.305 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.183 -2.757 0.833 1.00 0.00 H new ATOM 0 HG SER A 56 8.215 -3.063 3.131 1.00 0.00 H new ATOM 836 N ARG A 57 8.249 -6.778 1.076 1.00 0.00 N ATOM 837 CA ARG A 57 8.274 -8.111 1.666 1.00 0.00 C ATOM 838 C ARG A 57 8.905 -8.078 3.055 1.00 0.00 C ATOM 839 O ARG A 57 9.742 -7.225 3.347 1.00 0.00 O ATOM 840 CB ARG A 57 9.048 -9.076 0.765 1.00 0.00 C ATOM 841 CG ARG A 57 9.324 -10.423 1.411 1.00 0.00 C ATOM 842 CD ARG A 57 8.050 -11.242 1.559 1.00 0.00 C ATOM 843 NE ARG A 57 8.180 -12.277 2.580 1.00 0.00 N ATOM 844 CZ ARG A 57 8.710 -13.473 2.351 1.00 0.00 C ATOM 845 NH1 ARG A 57 9.158 -13.783 1.143 1.00 0.00 N ATOM 846 NH2 ARG A 57 8.793 -14.362 3.333 1.00 0.00 N ATOM 0 H ARG A 57 9.137 -6.478 0.673 1.00 0.00 H new ATOM 0 HA ARG A 57 7.245 -8.459 1.761 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.484 -9.232 -0.155 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.996 -8.616 0.484 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.045 -10.976 0.809 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.777 -10.272 2.391 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.222 -10.581 1.816 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.803 -11.705 0.603 1.00 0.00 H new ATOM 0 HE ARG A 57 7.845 -12.070 3.521 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.096 -13.102 0.386 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.565 -14.702 0.970 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.450 -14.127 4.264 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.200 -15.280 3.156 1.00 0.00 H new ATOM 860 N GLU A 58 8.496 -9.014 3.907 1.00 0.00 N ATOM 861 CA GLU A 58 9.021 -9.090 5.265 1.00 0.00 C ATOM 862 C GLU A 58 10.545 -9.175 5.256 1.00 0.00 C ATOM 863 O GLU A 58 11.132 -9.899 4.454 1.00 0.00 O ATOM 864 CB GLU A 58 8.436 -10.302 5.994 1.00 0.00 C ATOM 865 CG GLU A 58 8.521 -10.202 7.507 1.00 0.00 C ATOM 866 CD GLU A 58 8.600 -11.559 8.179 1.00 0.00 C ATOM 867 OE1 GLU A 58 9.647 -12.226 8.046 1.00 0.00 O ATOM 868 OE2 GLU A 58 7.615 -11.954 8.837 1.00 0.00 O ATOM 0 H GLU A 58 7.804 -9.729 3.681 1.00 0.00 H new ATOM 0 HA GLU A 58 8.728 -8.182 5.792 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.392 -10.420 5.704 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.961 -11.200 5.668 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.398 -9.614 7.780 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.649 -9.666 7.881 1.00 0.00 H new ATOM 875 N GLY A 59 11.178 -8.427 6.155 1.00 0.00 N ATOM 876 CA GLY A 59 12.628 -8.431 6.233 1.00 0.00 C ATOM 877 C GLY A 59 13.282 -8.311 4.871 1.00 0.00 C ATOM 878 O GLY A 59 14.177 -9.087 4.535 1.00 0.00 O ATOM 0 H GLY A 59 10.714 -7.819 6.830 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.957 -7.606 6.865 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.960 -9.352 6.712 1.00 0.00 H new ATOM 882 N ASP A 60 12.835 -7.339 4.085 1.00 0.00 N ATOM 883 CA ASP A 60 13.383 -7.121 2.751 1.00 0.00 C ATOM 884 C ASP A 60 14.076 -5.765 2.663 1.00 0.00 C ATOM 885 O ASP A 60 15.083 -5.615 1.972 1.00 0.00 O ATOM 886 CB ASP A 60 12.275 -7.210 1.700 1.00 0.00 C ATOM 887 CG ASP A 60 12.816 -7.485 0.311 1.00 0.00 C ATOM 888 OD1 ASP A 60 13.965 -7.085 0.031 1.00 0.00 O ATOM 889 OD2 ASP A 60 12.089 -8.101 -0.497 1.00 0.00 O ATOM 0 H ASP A 60 12.094 -6.689 4.348 1.00 0.00 H new ATOM 0 HA ASP A 60 14.121 -7.900 2.557 1.00 0.00 H new ATOM 0 HB2 ASP A 60 11.577 -8.000 1.978 1.00 0.00 H new ATOM 0 HB3 ASP A 60 11.712 -6.277 1.689 1.00 0.00 H new ATOM 894 N ASN A 61 13.529 -4.780 3.368 1.00 0.00 N ATOM 895 CA ASN A 61 14.094 -3.435 3.368 1.00 0.00 C ATOM 896 C ASN A 61 14.061 -2.831 1.967 1.00 0.00 C ATOM 897 O ASN A 61 15.056 -2.280 1.495 1.00 0.00 O ATOM 898 CB ASN A 61 15.532 -3.464 3.890 1.00 0.00 C ATOM 899 CG ASN A 61 16.124 -2.074 4.029 1.00 0.00 C ATOM 900 OD1 ASN A 61 15.721 -1.300 4.898 1.00 0.00 O ATOM 901 ND2 ASN A 61 17.086 -1.753 3.172 1.00 0.00 N ATOM 0 H ASN A 61 12.696 -4.888 3.946 1.00 0.00 H new ATOM 0 HA ASN A 61 13.488 -2.813 4.027 1.00 0.00 H new ATOM 0 HB2 ASN A 61 15.554 -3.964 4.858 1.00 0.00 H new ATOM 0 HB3 ASN A 61 16.150 -4.053 3.213 1.00 0.00 H new ATOM 0 HD21 ASN A 61 17.523 -0.833 3.217 1.00 0.00 H new ATOM 0 HD22 ASN A 61 17.388 -2.427 2.468 1.00 0.00 H new ATOM 908 N ARG A 62 12.912 -2.938 1.309 1.00 0.00 N ATOM 909 CA ARG A 62 12.750 -2.403 -0.037 1.00 0.00 C ATOM 910 C ARG A 62 11.277 -2.153 -0.349 1.00 0.00 C ATOM 911 O ARG A 62 10.503 -3.093 -0.527 1.00 0.00 O ATOM 912 CB ARG A 62 13.343 -3.367 -1.067 1.00 0.00 C ATOM 913 CG ARG A 62 14.862 -3.417 -1.048 1.00 0.00 C ATOM 914 CD ARG A 62 15.416 -3.994 -2.342 1.00 0.00 C ATOM 915 NE ARG A 62 15.043 -5.394 -2.521 1.00 0.00 N ATOM 916 CZ ARG A 62 15.733 -6.250 -3.266 1.00 0.00 C ATOM 917 NH1 ARG A 62 16.828 -5.850 -3.898 1.00 0.00 N ATOM 918 NH2 ARG A 62 15.330 -7.509 -3.380 1.00 0.00 N ATOM 0 H ARG A 62 12.079 -3.390 1.686 1.00 0.00 H new ATOM 0 HA ARG A 62 13.282 -1.453 -0.089 1.00 0.00 H new ATOM 0 HB2 ARG A 62 12.952 -4.368 -0.883 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.010 -3.073 -2.062 1.00 0.00 H new ATOM 0 HG2 ARG A 62 15.258 -2.413 -0.897 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.197 -4.022 -0.206 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.048 -3.410 -3.186 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.502 -3.905 -2.342 1.00 0.00 H new ATOM 0 HE ARG A 62 14.206 -5.734 -2.048 1.00 0.00 H new ATOM 0 HH11 ARG A 62 17.142 -4.883 -3.812 1.00 0.00 H new ATOM 0 HH12 ARG A 62 17.356 -6.509 -4.470 1.00 0.00 H new ATOM 0 HH21 ARG A 62 14.489 -7.821 -2.895 1.00 0.00 H new ATOM 0 HH22 ARG A 62 15.861 -8.165 -3.953 1.00 0.00 H new ATOM 932 N GLU A 63 10.899 -0.880 -0.413 1.00 0.00 N ATOM 933 CA GLU A 63 9.519 -0.508 -0.702 1.00 0.00 C ATOM 934 C GLU A 63 9.362 -0.089 -2.161 1.00 0.00 C ATOM 935 O GLU A 63 10.301 0.416 -2.777 1.00 0.00 O ATOM 936 CB GLU A 63 9.071 0.631 0.218 1.00 0.00 C ATOM 937 CG GLU A 63 8.457 0.153 1.523 1.00 0.00 C ATOM 938 CD GLU A 63 9.485 -0.017 2.624 1.00 0.00 C ATOM 939 OE1 GLU A 63 10.668 -0.252 2.301 1.00 0.00 O ATOM 940 OE2 GLU A 63 9.105 0.086 3.810 1.00 0.00 O ATOM 0 H GLU A 63 11.528 -0.090 -0.269 1.00 0.00 H new ATOM 0 HA GLU A 63 8.890 -1.380 -0.523 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.929 1.266 0.441 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.345 1.250 -0.310 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.699 0.866 1.846 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.950 -0.797 1.355 1.00 0.00 H new ATOM 947 N ARG A 64 8.170 -0.304 -2.707 1.00 0.00 N ATOM 948 CA ARG A 64 7.891 0.049 -4.094 1.00 0.00 C ATOM 949 C ARG A 64 6.684 0.978 -4.186 1.00 0.00 C ATOM 950 O ARG A 64 6.069 1.314 -3.175 1.00 0.00 O ATOM 951 CB ARG A 64 7.640 -1.213 -4.923 1.00 0.00 C ATOM 952 CG ARG A 64 8.790 -2.205 -4.884 1.00 0.00 C ATOM 953 CD ARG A 64 8.714 -3.192 -6.038 1.00 0.00 C ATOM 954 NE ARG A 64 9.338 -4.470 -5.708 1.00 0.00 N ATOM 955 CZ ARG A 64 8.895 -5.280 -4.753 1.00 0.00 C ATOM 956 NH1 ARG A 64 7.829 -4.946 -4.038 1.00 0.00 N ATOM 957 NH2 ARG A 64 9.517 -6.427 -4.512 1.00 0.00 N ATOM 0 H ARG A 64 7.382 -0.721 -2.211 1.00 0.00 H new ATOM 0 HA ARG A 64 8.761 0.571 -4.492 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.736 -1.703 -4.560 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.453 -0.927 -5.958 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.737 -1.667 -4.926 1.00 0.00 H new ATOM 0 HG3 ARG A 64 8.772 -2.747 -3.938 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.670 -3.357 -6.306 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.204 -2.765 -6.913 1.00 0.00 H new ATOM 0 HE ARG A 64 10.160 -4.757 -6.240 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.348 -4.066 -4.221 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.491 -5.570 -3.305 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.337 -6.688 -5.060 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.176 -7.048 -3.778 1.00 0.00 H new ATOM 971 N ALA A 65 6.353 1.391 -5.405 1.00 0.00 N ATOM 972 CA ALA A 65 5.220 2.280 -5.629 1.00 0.00 C ATOM 973 C ALA A 65 4.416 1.848 -6.851 1.00 0.00 C ATOM 974 O ALA A 65 4.981 1.447 -7.869 1.00 0.00 O ATOM 975 CB ALA A 65 5.699 3.715 -5.791 1.00 0.00 C ATOM 0 H ALA A 65 6.854 1.124 -6.253 1.00 0.00 H new ATOM 0 HA ALA A 65 4.567 2.222 -4.758 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.842 4.368 -5.958 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.223 4.028 -4.888 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.375 3.779 -6.644 1.00 0.00 H new ATOM 981 N LEU A 66 3.094 1.931 -6.743 1.00 0.00 N ATOM 982 CA LEU A 66 2.212 1.548 -7.839 1.00 0.00 C ATOM 983 C LEU A 66 0.946 2.400 -7.843 1.00 0.00 C ATOM 984 O LEU A 66 0.234 2.474 -6.843 1.00 0.00 O ATOM 985 CB LEU A 66 1.843 0.067 -7.730 1.00 0.00 C ATOM 986 CG LEU A 66 0.885 -0.467 -8.795 1.00 0.00 C ATOM 987 CD1 LEU A 66 1.578 -0.541 -10.147 1.00 0.00 C ATOM 988 CD2 LEU A 66 0.348 -1.833 -8.393 1.00 0.00 C ATOM 0 H LEU A 66 2.610 2.260 -5.908 1.00 0.00 H new ATOM 0 HA LEU A 66 2.744 1.716 -8.776 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.761 -0.519 -7.769 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.397 -0.104 -6.750 1.00 0.00 H new ATOM 0 HG LEU A 66 0.044 0.221 -8.878 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.881 -0.923 -10.893 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.912 0.454 -10.439 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.438 -1.207 -10.079 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.332 -2.198 -9.163 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.177 -2.531 -8.281 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.186 -1.750 -7.447 1.00 0.00 H new ATOM 1000 N ASN A 67 0.673 3.039 -8.976 1.00 0.00 N ATOM 1001 CA ASN A 67 -0.507 3.885 -9.110 1.00 0.00 C ATOM 1002 C ASN A 67 -1.366 3.437 -10.289 1.00 0.00 C ATOM 1003 O ASN A 67 -0.982 3.599 -11.449 1.00 0.00 O ATOM 1004 CB ASN A 67 -0.095 5.347 -9.291 1.00 0.00 C ATOM 1005 CG ASN A 67 0.279 5.669 -10.725 1.00 0.00 C ATOM 1006 OD1 ASN A 67 -0.411 6.430 -11.403 1.00 0.00 O ATOM 1007 ND2 ASN A 67 1.378 5.088 -11.194 1.00 0.00 N ATOM 0 H ASN A 67 1.252 2.987 -9.814 1.00 0.00 H new ATOM 0 HA ASN A 67 -1.096 3.791 -8.198 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -0.915 5.994 -8.978 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.751 5.567 -8.640 1.00 0.00 H new ATOM 0 HD21 ASN A 67 1.680 5.266 -12.152 1.00 0.00 H new ATOM 0 HD22 ASN A 67 1.920 4.464 -10.596 1.00 0.00 H new ATOM 1014 N THR A 68 -2.530 2.872 -9.986 1.00 0.00 N ATOM 1015 CA THR A 68 -3.443 2.400 -11.019 1.00 0.00 C ATOM 1016 C THR A 68 -4.877 2.823 -10.722 1.00 0.00 C ATOM 1017 O THR A 68 -5.658 3.095 -11.634 1.00 0.00 O ATOM 1018 CB THR A 68 -3.391 0.867 -11.158 1.00 0.00 C ATOM 1019 OG1 THR A 68 -2.042 0.441 -11.384 1.00 0.00 O ATOM 1020 CG2 THR A 68 -4.275 0.396 -12.303 1.00 0.00 C ATOM 0 H THR A 68 -2.863 2.730 -9.032 1.00 0.00 H new ATOM 0 HA THR A 68 -3.120 2.854 -11.956 1.00 0.00 H new ATOM 0 HB THR A 68 -3.760 0.428 -10.231 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.017 -0.535 -11.470 1.00 0.00 H new ATOM 0 HG21 THR A 68 -4.221 -0.690 -12.381 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.306 0.696 -12.114 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.932 0.844 -13.236 1.00 0.00 H new ATOM 1028 N THR A 69 -5.219 2.878 -9.438 1.00 0.00 N ATOM 1029 CA THR A 69 -6.559 3.268 -9.020 1.00 0.00 C ATOM 1030 C THR A 69 -7.154 4.299 -9.972 1.00 0.00 C ATOM 1031 O THR A 69 -6.827 5.483 -9.901 1.00 0.00 O ATOM 1032 CB THR A 69 -6.557 3.846 -7.592 1.00 0.00 C ATOM 1033 OG1 THR A 69 -5.586 4.893 -7.489 1.00 0.00 O ATOM 1034 CG2 THR A 69 -6.250 2.761 -6.570 1.00 0.00 C ATOM 0 H THR A 69 -4.585 2.657 -8.670 1.00 0.00 H new ATOM 0 HA THR A 69 -7.170 2.366 -9.038 1.00 0.00 H new ATOM 0 HB THR A 69 -7.549 4.249 -7.385 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.661 5.487 -8.265 1.00 0.00 H new ATOM 0 HG21 THR A 69 -6.254 3.192 -5.569 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.007 1.979 -6.631 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.269 2.333 -6.777 1.00 0.00 H new ATOM 1042 N GLN A 70 -8.030 3.841 -10.861 1.00 0.00 N ATOM 1043 CA GLN A 70 -8.670 4.725 -11.827 1.00 0.00 C ATOM 1044 C GLN A 70 -9.056 6.051 -11.180 1.00 0.00 C ATOM 1045 O GLN A 70 -9.129 6.175 -9.957 1.00 0.00 O ATOM 1046 CB GLN A 70 -9.910 4.055 -12.421 1.00 0.00 C ATOM 1047 CG GLN A 70 -9.629 3.278 -13.697 1.00 0.00 C ATOM 1048 CD GLN A 70 -8.532 2.246 -13.523 1.00 0.00 C ATOM 1049 OE1 GLN A 70 -7.348 2.551 -13.669 1.00 0.00 O ATOM 1050 NE2 GLN A 70 -8.920 1.016 -13.208 1.00 0.00 N ATOM 0 H GLN A 70 -8.312 2.863 -10.932 1.00 0.00 H new ATOM 0 HA GLN A 70 -7.956 4.925 -12.626 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -10.337 3.379 -11.680 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.661 4.817 -12.628 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -10.542 2.780 -14.023 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.346 3.974 -14.487 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.912 0.807 -13.097 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.226 0.280 -13.077 1.00 0.00 H new ATOM 1059 N PRO A 71 -9.308 7.068 -12.017 1.00 0.00 N ATOM 1060 CA PRO A 71 -9.690 8.403 -11.548 1.00 0.00 C ATOM 1061 C PRO A 71 -11.090 8.426 -10.942 1.00 0.00 C ATOM 1062 O PRO A 71 -12.054 8.820 -11.597 1.00 0.00 O ATOM 1063 CB PRO A 71 -9.645 9.253 -12.821 1.00 0.00 C ATOM 1064 CG PRO A 71 -9.868 8.284 -13.931 1.00 0.00 C ATOM 1065 CD PRO A 71 -9.240 6.992 -13.486 1.00 0.00 C ATOM 0 HA PRO A 71 -9.031 8.761 -10.757 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -10.414 10.025 -12.809 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.686 9.760 -12.925 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.932 8.153 -14.127 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -9.415 8.640 -14.856 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.783 6.128 -13.869 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -8.212 6.903 -13.837 1.00 0.00 H new ATOM 1073 N GLY A 72 -11.193 8.002 -9.686 1.00 0.00 N ATOM 1074 CA GLY A 72 -12.478 7.983 -9.013 1.00 0.00 C ATOM 1075 C GLY A 72 -12.793 6.631 -8.403 1.00 0.00 C ATOM 1076 O GLY A 72 -13.958 6.293 -8.194 1.00 0.00 O ATOM 0 H GLY A 72 -10.409 7.671 -9.123 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.486 8.742 -8.231 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -13.261 8.249 -9.723 1.00 0.00 H new ATOM 1080 N SER A 73 -11.752 5.856 -8.118 1.00 0.00 N ATOM 1081 CA SER A 73 -11.923 4.531 -7.533 1.00 0.00 C ATOM 1082 C SER A 73 -11.024 4.356 -6.312 1.00 0.00 C ATOM 1083 O SER A 73 -9.850 4.726 -6.333 1.00 0.00 O ATOM 1084 CB SER A 73 -11.611 3.449 -8.569 1.00 0.00 C ATOM 1085 OG SER A 73 -12.276 2.237 -8.256 1.00 0.00 O ATOM 0 H SER A 73 -10.781 6.122 -8.283 1.00 0.00 H new ATOM 0 HA SER A 73 -12.961 4.432 -7.216 1.00 0.00 H new ATOM 0 HB2 SER A 73 -11.916 3.790 -9.559 1.00 0.00 H new ATOM 0 HB3 SER A 73 -10.535 3.278 -8.608 1.00 0.00 H new ATOM 0 HG SER A 73 -12.488 2.218 -7.299 1.00 0.00 H new ATOM 1091 N LEU A 74 -11.585 3.789 -5.250 1.00 0.00 N ATOM 1092 CA LEU A 74 -10.836 3.564 -4.018 1.00 0.00 C ATOM 1093 C LEU A 74 -10.485 2.088 -3.856 1.00 0.00 C ATOM 1094 O LEU A 74 -10.498 1.556 -2.747 1.00 0.00 O ATOM 1095 CB LEU A 74 -11.645 4.043 -2.811 1.00 0.00 C ATOM 1096 CG LEU A 74 -11.696 5.556 -2.596 1.00 0.00 C ATOM 1097 CD1 LEU A 74 -10.293 6.121 -2.440 1.00 0.00 C ATOM 1098 CD2 LEU A 74 -12.422 6.234 -3.749 1.00 0.00 C ATOM 0 H LEU A 74 -12.555 3.477 -5.217 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.909 4.135 -4.076 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.666 3.676 -2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -11.230 3.582 -1.915 1.00 0.00 H new ATOM 0 HG LEU A 74 -12.249 5.755 -1.678 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.350 7.199 -2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -9.808 5.658 -1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -9.714 5.911 -3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -12.449 7.310 -3.579 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -11.897 6.027 -4.682 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -13.441 5.851 -3.813 1.00 0.00 H new ATOM 1110 N GLN A 75 -10.170 1.435 -4.970 1.00 0.00 N ATOM 1111 CA GLN A 75 -9.814 0.021 -4.950 1.00 0.00 C ATOM 1112 C GLN A 75 -8.612 -0.250 -5.850 1.00 0.00 C ATOM 1113 O GLN A 75 -8.596 0.142 -7.017 1.00 0.00 O ATOM 1114 CB GLN A 75 -11.003 -0.832 -5.396 1.00 0.00 C ATOM 1115 CG GLN A 75 -12.204 -0.733 -4.471 1.00 0.00 C ATOM 1116 CD GLN A 75 -13.094 0.451 -4.794 1.00 0.00 C ATOM 1117 OE1 GLN A 75 -13.533 0.620 -5.932 1.00 0.00 O ATOM 1118 NE2 GLN A 75 -13.365 1.280 -3.792 1.00 0.00 N ATOM 0 H GLN A 75 -10.154 1.862 -5.896 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.547 -0.247 -3.928 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.302 -0.528 -6.399 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.689 -1.874 -5.459 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -12.788 -1.651 -4.540 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.858 -0.652 -3.440 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.980 1.102 -2.864 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -13.958 2.095 -3.950 1.00 0.00 H new ATOM 1127 N LEU A 76 -7.608 -0.923 -5.299 1.00 0.00 N ATOM 1128 CA LEU A 76 -6.401 -1.247 -6.052 1.00 0.00 C ATOM 1129 C LEU A 76 -6.050 -2.724 -5.909 1.00 0.00 C ATOM 1130 O LEU A 76 -6.276 -3.329 -4.860 1.00 0.00 O ATOM 1131 CB LEU A 76 -5.231 -0.385 -5.573 1.00 0.00 C ATOM 1132 CG LEU A 76 -3.888 -0.633 -6.261 1.00 0.00 C ATOM 1133 CD1 LEU A 76 -3.905 -0.080 -7.678 1.00 0.00 C ATOM 1134 CD2 LEU A 76 -2.754 -0.013 -5.458 1.00 0.00 C ATOM 0 H LEU A 76 -7.605 -1.255 -4.334 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.592 -1.038 -7.105 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.498 0.663 -5.709 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.103 -0.544 -4.502 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.722 -1.709 -6.314 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.941 -0.265 -8.152 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.692 -0.571 -8.251 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.094 0.993 -7.648 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.806 -0.200 -5.963 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.914 1.062 -5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.728 -0.456 -4.463 1.00 0.00 H new ATOM 1146 N THR A 77 -5.494 -3.300 -6.970 1.00 0.00 N ATOM 1147 CA THR A 77 -5.111 -4.707 -6.964 1.00 0.00 C ATOM 1148 C THR A 77 -3.607 -4.868 -7.154 1.00 0.00 C ATOM 1149 O THR A 77 -3.091 -4.713 -8.261 1.00 0.00 O ATOM 1150 CB THR A 77 -5.843 -5.494 -8.067 1.00 0.00 C ATOM 1151 OG1 THR A 77 -7.258 -5.314 -7.940 1.00 0.00 O ATOM 1152 CG2 THR A 77 -5.506 -6.975 -7.989 1.00 0.00 C ATOM 0 H THR A 77 -5.299 -2.814 -7.845 1.00 0.00 H new ATOM 0 HA THR A 77 -5.397 -5.108 -5.992 1.00 0.00 H new ATOM 0 HB THR A 77 -5.514 -5.113 -9.034 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.716 -5.816 -8.646 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.035 -7.510 -8.778 1.00 0.00 H new ATOM 0 HG22 THR A 77 -4.432 -7.111 -8.115 1.00 0.00 H new ATOM 0 HG23 THR A 77 -5.810 -7.367 -7.018 1.00 0.00 H new ATOM 1160 N VAL A 78 -2.908 -5.180 -6.067 1.00 0.00 N ATOM 1161 CA VAL A 78 -1.462 -5.364 -6.115 1.00 0.00 C ATOM 1162 C VAL A 78 -1.102 -6.823 -6.369 1.00 0.00 C ATOM 1163 O VAL A 78 -1.377 -7.694 -5.545 1.00 0.00 O ATOM 1164 CB VAL A 78 -0.795 -4.902 -4.806 1.00 0.00 C ATOM 1165 CG1 VAL A 78 0.715 -5.071 -4.888 1.00 0.00 C ATOM 1166 CG2 VAL A 78 -1.162 -3.458 -4.501 1.00 0.00 C ATOM 0 H VAL A 78 -3.319 -5.311 -5.143 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.092 -4.753 -6.938 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.163 -5.526 -3.991 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.169 -4.740 -3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.955 -6.121 -5.056 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.104 -4.474 -5.713 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.682 -3.149 -3.573 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.824 -2.817 -5.315 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.244 -3.372 -4.396 1.00 0.00 H new ATOM 1176 N GLY A 79 -0.484 -7.084 -7.517 1.00 0.00 N ATOM 1177 CA GLY A 79 -0.095 -8.439 -7.860 1.00 0.00 C ATOM 1178 C GLY A 79 1.402 -8.654 -7.765 1.00 0.00 C ATOM 1179 O GLY A 79 2.131 -7.789 -7.283 1.00 0.00 O ATOM 0 H GLY A 79 -0.246 -6.380 -8.216 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -0.602 -9.139 -7.196 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.428 -8.664 -8.873 1.00 0.00 H new ATOM 1183 N ASN A 80 1.862 -9.813 -8.226 1.00 0.00 N ATOM 1184 CA ASN A 80 3.283 -10.140 -8.190 1.00 0.00 C ATOM 1185 C ASN A 80 3.767 -10.301 -6.752 1.00 0.00 C ATOM 1186 O ASN A 80 4.756 -9.688 -6.346 1.00 0.00 O ATOM 1187 CB ASN A 80 4.096 -9.054 -8.896 1.00 0.00 C ATOM 1188 CG ASN A 80 3.388 -8.503 -10.118 1.00 0.00 C ATOM 1189 OD1 ASN A 80 3.063 -7.317 -10.179 1.00 0.00 O ATOM 1190 ND2 ASN A 80 3.144 -9.365 -11.099 1.00 0.00 N ATOM 0 H ASN A 80 1.272 -10.541 -8.629 1.00 0.00 H new ATOM 0 HA ASN A 80 3.426 -11.087 -8.711 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.295 -8.241 -8.198 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.062 -9.463 -9.193 1.00 0.00 H new ATOM 0 HD21 ASN A 80 2.669 -9.053 -11.946 1.00 0.00 H new ATOM 0 HD22 ASN A 80 3.431 -10.339 -11.005 1.00 0.00 H new ATOM 1197 N LEU A 81 3.066 -11.129 -5.986 1.00 0.00 N ATOM 1198 CA LEU A 81 3.424 -11.371 -4.593 1.00 0.00 C ATOM 1199 C LEU A 81 3.673 -12.856 -4.345 1.00 0.00 C ATOM 1200 O LEU A 81 2.922 -13.710 -4.817 1.00 0.00 O ATOM 1201 CB LEU A 81 2.317 -10.867 -3.666 1.00 0.00 C ATOM 1202 CG LEU A 81 1.864 -9.422 -3.885 1.00 0.00 C ATOM 1203 CD1 LEU A 81 0.499 -9.190 -3.257 1.00 0.00 C ATOM 1204 CD2 LEU A 81 2.888 -8.451 -3.315 1.00 0.00 C ATOM 0 H LEU A 81 2.246 -11.644 -6.306 1.00 0.00 H new ATOM 0 HA LEU A 81 4.344 -10.826 -4.380 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.451 -11.519 -3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.659 -10.967 -2.636 1.00 0.00 H new ATOM 0 HG LEU A 81 1.782 -9.245 -4.957 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.193 -8.157 -3.423 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.229 -9.862 -3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.553 -9.385 -2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.550 -7.428 -3.479 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.002 -8.628 -2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.847 -8.601 -3.811 1.00 0.00 H new ATOM 1216 N LYS A 82 4.731 -13.156 -3.600 1.00 0.00 N ATOM 1217 CA LYS A 82 5.078 -14.537 -3.285 1.00 0.00 C ATOM 1218 C LYS A 82 4.108 -15.123 -2.265 1.00 0.00 C ATOM 1219 O LYS A 82 3.784 -14.502 -1.252 1.00 0.00 O ATOM 1220 CB LYS A 82 6.509 -14.614 -2.747 1.00 0.00 C ATOM 1221 CG LYS A 82 6.996 -16.035 -2.516 1.00 0.00 C ATOM 1222 CD LYS A 82 8.282 -16.059 -1.707 1.00 0.00 C ATOM 1223 CE LYS A 82 8.478 -17.397 -1.012 1.00 0.00 C ATOM 1224 NZ LYS A 82 9.897 -17.613 -0.615 1.00 0.00 N ATOM 0 H LYS A 82 5.363 -12.461 -3.203 1.00 0.00 H new ATOM 0 HA LYS A 82 5.009 -15.121 -4.203 1.00 0.00 H new ATOM 0 HB2 LYS A 82 7.179 -14.119 -3.449 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.566 -14.062 -1.809 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.226 -16.604 -1.995 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.160 -16.525 -3.476 1.00 0.00 H new ATOM 0 HD2 LYS A 82 9.130 -15.861 -2.363 1.00 0.00 H new ATOM 0 HD3 LYS A 82 8.261 -15.262 -0.964 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.842 -17.444 -0.128 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.160 -18.201 -1.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.989 -18.536 -0.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.501 -17.594 -1.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.193 -16.860 0.039 1.00 0.00 H new ATOM 1238 N PRO A 83 3.632 -16.348 -2.535 1.00 0.00 N ATOM 1239 CA PRO A 83 2.694 -17.045 -1.651 1.00 0.00 C ATOM 1240 C PRO A 83 3.344 -17.479 -0.342 1.00 0.00 C ATOM 1241 O PRO A 83 4.557 -17.676 -0.276 1.00 0.00 O ATOM 1242 CB PRO A 83 2.276 -18.268 -2.471 1.00 0.00 C ATOM 1243 CG PRO A 83 3.412 -18.504 -3.406 1.00 0.00 C ATOM 1244 CD PRO A 83 3.975 -17.147 -3.724 1.00 0.00 C ATOM 0 HA PRO A 83 1.861 -16.407 -1.357 1.00 0.00 H new ATOM 0 HB2 PRO A 83 2.104 -19.133 -1.831 1.00 0.00 H new ATOM 0 HB3 PRO A 83 1.349 -18.083 -3.013 1.00 0.00 H new ATOM 0 HG2 PRO A 83 4.168 -19.143 -2.949 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.074 -19.008 -4.311 1.00 0.00 H new ATOM 0 HD2 PRO A 83 5.052 -17.186 -3.884 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.533 -16.731 -4.629 1.00 0.00 H new ATOM 1252 N GLU A 84 2.528 -17.628 0.698 1.00 0.00 N ATOM 1253 CA GLU A 84 3.026 -18.038 2.006 1.00 0.00 C ATOM 1254 C GLU A 84 4.095 -17.073 2.509 1.00 0.00 C ATOM 1255 O GLU A 84 5.111 -17.490 3.064 1.00 0.00 O ATOM 1256 CB GLU A 84 3.596 -19.457 1.937 1.00 0.00 C ATOM 1257 CG GLU A 84 2.532 -20.541 1.943 1.00 0.00 C ATOM 1258 CD GLU A 84 2.179 -21.005 3.343 1.00 0.00 C ATOM 1259 OE1 GLU A 84 3.107 -21.201 4.155 1.00 0.00 O ATOM 1260 OE2 GLU A 84 0.974 -21.170 3.626 1.00 0.00 O ATOM 0 H GLU A 84 1.521 -17.471 0.660 1.00 0.00 H new ATOM 0 HA GLU A 84 2.190 -18.023 2.705 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.197 -19.555 1.033 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.266 -19.612 2.783 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.634 -20.166 1.451 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.883 -21.392 1.360 1.00 0.00 H new ATOM 1267 N ALA A 85 3.859 -15.781 2.309 1.00 0.00 N ATOM 1268 CA ALA A 85 4.799 -14.755 2.743 1.00 0.00 C ATOM 1269 C ALA A 85 4.072 -13.477 3.145 1.00 0.00 C ATOM 1270 O ALA A 85 3.093 -13.083 2.511 1.00 0.00 O ATOM 1271 CB ALA A 85 5.809 -14.466 1.642 1.00 0.00 C ATOM 0 H ALA A 85 3.024 -15.419 1.849 1.00 0.00 H new ATOM 0 HA ALA A 85 5.329 -15.130 3.619 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.505 -13.698 1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.360 -15.376 1.405 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.287 -14.116 0.752 1.00 0.00 H new ATOM 1277 N MET A 86 4.555 -12.835 4.204 1.00 0.00 N ATOM 1278 CA MET A 86 3.950 -11.601 4.690 1.00 0.00 C ATOM 1279 C MET A 86 4.401 -10.407 3.854 1.00 0.00 C ATOM 1280 O MET A 86 5.555 -10.335 3.431 1.00 0.00 O ATOM 1281 CB MET A 86 4.311 -11.375 6.160 1.00 0.00 C ATOM 1282 CG MET A 86 3.685 -10.124 6.754 1.00 0.00 C ATOM 1283 SD MET A 86 1.882 -10.172 6.731 1.00 0.00 S ATOM 1284 CE MET A 86 1.537 -10.737 8.395 1.00 0.00 C ATOM 0 H MET A 86 5.363 -13.149 4.741 1.00 0.00 H new ATOM 0 HA MET A 86 2.868 -11.697 4.599 1.00 0.00 H new ATOM 0 HB2 MET A 86 3.994 -12.241 6.741 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.395 -11.308 6.253 1.00 0.00 H new ATOM 0 HG2 MET A 86 4.028 -10.003 7.781 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.029 -9.251 6.198 1.00 0.00 H new ATOM 0 HE1 MET A 86 0.541 -10.409 8.692 1.00 0.00 H new ATOM 0 HE2 MET A 86 1.585 -11.825 8.427 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.275 -10.321 9.081 1.00 0.00 H new ATOM 1294 N TYR A 87 3.485 -9.474 3.621 1.00 0.00 N ATOM 1295 CA TYR A 87 3.789 -8.286 2.833 1.00 0.00 C ATOM 1296 C TYR A 87 3.077 -7.061 3.398 1.00 0.00 C ATOM 1297 O TYR A 87 1.880 -7.100 3.685 1.00 0.00 O ATOM 1298 CB TYR A 87 3.382 -8.498 1.373 1.00 0.00 C ATOM 1299 CG TYR A 87 4.398 -9.276 0.568 1.00 0.00 C ATOM 1300 CD1 TYR A 87 4.455 -10.663 0.640 1.00 0.00 C ATOM 1301 CD2 TYR A 87 5.302 -8.625 -0.263 1.00 0.00 C ATOM 1302 CE1 TYR A 87 5.382 -11.378 -0.093 1.00 0.00 C ATOM 1303 CE2 TYR A 87 6.231 -9.333 -1.000 1.00 0.00 C ATOM 1304 CZ TYR A 87 6.267 -10.709 -0.912 1.00 0.00 C ATOM 1305 OH TYR A 87 7.192 -11.417 -1.644 1.00 0.00 O ATOM 0 H TYR A 87 2.526 -9.517 3.966 1.00 0.00 H new ATOM 0 HA TYR A 87 4.864 -8.114 2.882 1.00 0.00 H new ATOM 0 HB2 TYR A 87 2.428 -9.024 1.343 1.00 0.00 H new ATOM 0 HB3 TYR A 87 3.226 -7.527 0.904 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.763 -11.190 1.280 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.278 -7.548 -0.334 1.00 0.00 H new ATOM 0 HE1 TYR A 87 5.414 -12.455 -0.025 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.926 -8.812 -1.642 1.00 0.00 H new ATOM 0 HH TYR A 87 7.738 -10.796 -2.169 1.00 0.00 H new ATOM 1315 N THR A 88 3.822 -5.971 3.556 1.00 0.00 N ATOM 1316 CA THR A 88 3.265 -4.734 4.087 1.00 0.00 C ATOM 1317 C THR A 88 2.671 -3.877 2.975 1.00 0.00 C ATOM 1318 O THR A 88 3.072 -3.980 1.816 1.00 0.00 O ATOM 1319 CB THR A 88 4.331 -3.914 4.838 1.00 0.00 C ATOM 1320 OG1 THR A 88 5.009 -4.745 5.786 1.00 0.00 O ATOM 1321 CG2 THR A 88 3.698 -2.730 5.554 1.00 0.00 C ATOM 0 H THR A 88 4.814 -5.921 3.323 1.00 0.00 H new ATOM 0 HA THR A 88 2.477 -5.016 4.785 1.00 0.00 H new ATOM 0 HB THR A 88 5.048 -3.536 4.109 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.686 -4.217 6.258 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.470 -2.166 6.077 1.00 0.00 H new ATOM 0 HG22 THR A 88 3.208 -2.084 4.826 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.962 -3.091 6.273 1.00 0.00 H new ATOM 1329 N PHE A 89 1.712 -3.029 3.335 1.00 0.00 N ATOM 1330 CA PHE A 89 1.062 -2.153 2.367 1.00 0.00 C ATOM 1331 C PHE A 89 0.823 -0.768 2.961 1.00 0.00 C ATOM 1332 O PHE A 89 0.687 -0.617 4.176 1.00 0.00 O ATOM 1333 CB PHE A 89 -0.265 -2.761 1.909 1.00 0.00 C ATOM 1334 CG PHE A 89 -0.101 -3.927 0.978 1.00 0.00 C ATOM 1335 CD1 PHE A 89 0.293 -5.165 1.459 1.00 0.00 C ATOM 1336 CD2 PHE A 89 -0.342 -3.786 -0.380 1.00 0.00 C ATOM 1337 CE1 PHE A 89 0.445 -6.240 0.604 1.00 0.00 C ATOM 1338 CE2 PHE A 89 -0.191 -4.857 -1.240 1.00 0.00 C ATOM 1339 CZ PHE A 89 0.201 -6.086 -0.747 1.00 0.00 C ATOM 0 H PHE A 89 1.368 -2.930 4.290 1.00 0.00 H new ATOM 0 HA PHE A 89 1.723 -2.050 1.506 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.830 -3.082 2.784 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.856 -1.991 1.413 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.484 -5.291 2.515 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.651 -2.828 -0.770 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.754 -7.199 0.992 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.379 -4.733 -2.296 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.317 -6.925 -1.417 1.00 0.00 H new ATOM 1349 N ARG A 90 0.774 0.239 2.097 1.00 0.00 N ATOM 1350 CA ARG A 90 0.553 1.612 2.535 1.00 0.00 C ATOM 1351 C ARG A 90 -0.099 2.438 1.430 1.00 0.00 C ATOM 1352 O ARG A 90 0.441 2.559 0.330 1.00 0.00 O ATOM 1353 CB ARG A 90 1.877 2.256 2.953 1.00 0.00 C ATOM 1354 CG ARG A 90 2.521 1.593 4.160 1.00 0.00 C ATOM 1355 CD ARG A 90 3.396 2.570 4.930 1.00 0.00 C ATOM 1356 NE ARG A 90 4.469 3.114 4.101 1.00 0.00 N ATOM 1357 CZ ARG A 90 5.570 2.440 3.788 1.00 0.00 C ATOM 1358 NH1 ARG A 90 5.742 1.203 4.232 1.00 0.00 N ATOM 1359 NH2 ARG A 90 6.501 3.004 3.029 1.00 0.00 N ATOM 0 H ARG A 90 0.884 0.131 1.089 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.120 1.589 3.392 1.00 0.00 H new ATOM 0 HB2 ARG A 90 2.571 2.217 2.114 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.705 3.309 3.176 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.746 1.200 4.818 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.122 0.744 3.833 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.781 3.386 5.309 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.826 2.067 5.796 1.00 0.00 H new ATOM 0 HE ARG A 90 4.367 4.064 3.743 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.028 0.767 4.815 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.588 0.687 3.990 1.00 0.00 H new ATOM 0 HH21 ARG A 90 6.371 3.956 2.686 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.346 2.486 2.789 1.00 0.00 H new ATOM 1373 N VAL A 91 -1.265 3.003 1.730 1.00 0.00 N ATOM 1374 CA VAL A 91 -1.991 3.817 0.762 1.00 0.00 C ATOM 1375 C VAL A 91 -1.672 5.297 0.940 1.00 0.00 C ATOM 1376 O VAL A 91 -1.654 5.809 2.060 1.00 0.00 O ATOM 1377 CB VAL A 91 -3.512 3.612 0.886 1.00 0.00 C ATOM 1378 CG1 VAL A 91 -4.246 4.399 -0.189 1.00 0.00 C ATOM 1379 CG2 VAL A 91 -3.859 2.133 0.807 1.00 0.00 C ATOM 0 H VAL A 91 -1.726 2.912 2.635 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.668 3.496 -0.228 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.833 3.985 1.859 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.320 4.242 -0.086 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.022 5.460 -0.080 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.923 4.060 -1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.938 2.007 0.896 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.525 1.731 -0.150 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.363 1.599 1.618 1.00 0.00 H new ATOM 1389 N VAL A 92 -1.420 5.980 -0.172 1.00 0.00 N ATOM 1390 CA VAL A 92 -1.103 7.403 -0.139 1.00 0.00 C ATOM 1391 C VAL A 92 -1.877 8.163 -1.210 1.00 0.00 C ATOM 1392 O VAL A 92 -1.968 7.722 -2.355 1.00 0.00 O ATOM 1393 CB VAL A 92 0.405 7.647 -0.341 1.00 0.00 C ATOM 1394 CG1 VAL A 92 0.703 9.138 -0.385 1.00 0.00 C ATOM 1395 CG2 VAL A 92 1.206 6.967 0.759 1.00 0.00 C ATOM 0 H VAL A 92 -1.429 5.571 -1.106 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.394 7.770 0.845 1.00 0.00 H new ATOM 0 HB VAL A 92 0.701 7.213 -1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.773 9.291 -0.528 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.157 9.594 -1.211 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.393 9.599 0.553 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.269 7.149 0.601 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.909 7.369 1.727 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.015 5.894 0.738 1.00 0.00 H new ATOM 1405 N ALA A 93 -2.434 9.309 -0.829 1.00 0.00 N ATOM 1406 CA ALA A 93 -3.198 10.132 -1.758 1.00 0.00 C ATOM 1407 C ALA A 93 -2.324 11.216 -2.378 1.00 0.00 C ATOM 1408 O ALA A 93 -1.520 11.847 -1.692 1.00 0.00 O ATOM 1409 CB ALA A 93 -4.393 10.755 -1.050 1.00 0.00 C ATOM 0 H ALA A 93 -2.370 9.688 0.116 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.559 9.490 -2.562 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.955 11.367 -1.755 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.037 9.966 -0.660 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -4.044 11.378 -0.227 1.00 0.00 H new ATOM 1415 N TYR A 94 -2.486 11.428 -3.679 1.00 0.00 N ATOM 1416 CA TYR A 94 -1.709 12.434 -4.393 1.00 0.00 C ATOM 1417 C TYR A 94 -2.624 13.438 -5.087 1.00 0.00 C ATOM 1418 O TYR A 94 -3.378 13.084 -5.993 1.00 0.00 O ATOM 1419 CB TYR A 94 -0.793 11.767 -5.420 1.00 0.00 C ATOM 1420 CG TYR A 94 0.546 11.349 -4.856 1.00 0.00 C ATOM 1421 CD1 TYR A 94 0.655 10.247 -4.016 1.00 0.00 C ATOM 1422 CD2 TYR A 94 1.703 12.055 -5.162 1.00 0.00 C ATOM 1423 CE1 TYR A 94 1.876 9.862 -3.497 1.00 0.00 C ATOM 1424 CE2 TYR A 94 2.928 11.676 -4.649 1.00 0.00 C ATOM 1425 CZ TYR A 94 3.009 10.579 -3.817 1.00 0.00 C ATOM 1426 OH TYR A 94 4.228 10.199 -3.303 1.00 0.00 O ATOM 0 H TYR A 94 -3.149 10.916 -4.261 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.099 12.969 -3.665 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.296 10.890 -5.827 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -0.630 12.455 -6.250 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.230 9.682 -3.765 1.00 0.00 H new ATOM 0 HD2 TYR A 94 1.643 12.915 -5.812 1.00 0.00 H new ATOM 0 HE1 TYR A 94 1.942 9.004 -2.844 1.00 0.00 H new ATOM 0 HE2 TYR A 94 3.818 12.236 -4.898 1.00 0.00 H new ATOM 0 HH TYR A 94 4.924 10.808 -3.627 1.00 0.00 H new ATOM 1436 N ASN A 95 -2.551 14.693 -4.655 1.00 0.00 N ATOM 1437 CA ASN A 95 -3.373 15.750 -5.234 1.00 0.00 C ATOM 1438 C ASN A 95 -2.502 16.870 -5.795 1.00 0.00 C ATOM 1439 O ASN A 95 -1.276 16.820 -5.704 1.00 0.00 O ATOM 1440 CB ASN A 95 -4.332 16.312 -4.184 1.00 0.00 C ATOM 1441 CG ASN A 95 -3.738 17.484 -3.427 1.00 0.00 C ATOM 1442 OD1 ASN A 95 -4.012 18.643 -3.741 1.00 0.00 O ATOM 1443 ND2 ASN A 95 -2.920 17.188 -2.424 1.00 0.00 N ATOM 0 H ASN A 95 -1.931 15.003 -3.906 1.00 0.00 H new ATOM 0 HA ASN A 95 -3.952 15.320 -6.051 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -5.255 16.627 -4.671 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.597 15.524 -3.479 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -2.491 17.935 -1.879 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -2.721 16.213 -2.199 1.00 0.00 H new ATOM 1450 N GLU A 96 -3.145 17.878 -6.375 1.00 0.00 N ATOM 1451 CA GLU A 96 -2.428 19.010 -6.951 1.00 0.00 C ATOM 1452 C GLU A 96 -1.178 19.333 -6.138 1.00 0.00 C ATOM 1453 O GLU A 96 -0.066 19.342 -6.667 1.00 0.00 O ATOM 1454 CB GLU A 96 -3.339 20.238 -7.017 1.00 0.00 C ATOM 1455 CG GLU A 96 -2.909 21.259 -8.057 1.00 0.00 C ATOM 1456 CD GLU A 96 -3.530 22.623 -7.827 1.00 0.00 C ATOM 1457 OE1 GLU A 96 -4.614 22.684 -7.210 1.00 0.00 O ATOM 1458 OE2 GLU A 96 -2.933 23.629 -8.264 1.00 0.00 O ATOM 0 H GLU A 96 -4.160 17.934 -6.459 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.122 18.738 -7.961 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.356 19.914 -7.237 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -3.362 20.716 -6.038 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -1.823 21.351 -8.043 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.185 20.901 -9.049 1.00 0.00 H new ATOM 1465 N TRP A 97 -1.369 19.597 -4.851 1.00 0.00 N ATOM 1466 CA TRP A 97 -0.257 19.922 -3.964 1.00 0.00 C ATOM 1467 C TRP A 97 0.790 18.813 -3.976 1.00 0.00 C ATOM 1468 O TRP A 97 1.953 19.048 -4.301 1.00 0.00 O ATOM 1469 CB TRP A 97 -0.764 20.146 -2.538 1.00 0.00 C ATOM 1470 CG TRP A 97 -1.848 21.177 -2.449 1.00 0.00 C ATOM 1471 CD1 TRP A 97 -3.140 20.975 -2.054 1.00 0.00 C ATOM 1472 CD2 TRP A 97 -1.735 22.569 -2.763 1.00 0.00 C ATOM 1473 NE1 TRP A 97 -3.837 22.158 -2.103 1.00 0.00 N ATOM 1474 CE2 TRP A 97 -2.997 23.152 -2.534 1.00 0.00 C ATOM 1475 CE3 TRP A 97 -0.690 23.381 -3.212 1.00 0.00 C ATOM 1476 CZ2 TRP A 97 -3.240 24.507 -2.742 1.00 0.00 C ATOM 1477 CZ3 TRP A 97 -0.933 24.726 -3.418 1.00 0.00 C ATOM 1478 CH2 TRP A 97 -2.199 25.278 -3.183 1.00 0.00 C ATOM 0 H TRP A 97 -2.283 19.593 -4.398 1.00 0.00 H new ATOM 0 HA TRP A 97 0.208 20.839 -4.325 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -1.136 19.202 -2.140 1.00 0.00 H new ATOM 0 HB3 TRP A 97 0.071 20.451 -1.907 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -3.553 20.025 -1.748 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -4.820 22.277 -1.858 1.00 0.00 H new ATOM 0 HE3 TRP A 97 0.290 22.965 -3.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -4.215 24.934 -2.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -0.133 25.362 -3.766 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -2.356 26.333 -3.353 1.00 0.00 H new ATOM 1489 N GLY A 98 0.369 17.603 -3.620 1.00 0.00 N ATOM 1490 CA GLY A 98 1.283 16.477 -3.597 1.00 0.00 C ATOM 1491 C GLY A 98 0.855 15.402 -2.618 1.00 0.00 C ATOM 1492 O GLY A 98 -0.321 15.277 -2.276 1.00 0.00 O ATOM 0 H GLY A 98 -0.589 17.383 -3.347 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.351 16.048 -4.597 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.280 16.828 -3.333 1.00 0.00 H new ATOM 1496 N PRO A 99 1.824 14.600 -2.152 1.00 0.00 N ATOM 1497 CA PRO A 99 1.564 13.515 -1.201 1.00 0.00 C ATOM 1498 C PRO A 99 1.193 14.034 0.184 1.00 0.00 C ATOM 1499 O PRO A 99 1.905 14.853 0.762 1.00 0.00 O ATOM 1500 CB PRO A 99 2.896 12.762 -1.150 1.00 0.00 C ATOM 1501 CG PRO A 99 3.919 13.775 -1.531 1.00 0.00 C ATOM 1502 CD PRO A 99 3.247 14.691 -2.517 1.00 0.00 C ATOM 0 HA PRO A 99 0.720 12.897 -1.508 1.00 0.00 H new ATOM 0 HB2 PRO A 99 3.087 12.362 -0.154 1.00 0.00 H new ATOM 0 HB3 PRO A 99 2.900 11.917 -1.839 1.00 0.00 H new ATOM 0 HG2 PRO A 99 4.265 14.328 -0.658 1.00 0.00 H new ATOM 0 HG3 PRO A 99 4.794 13.299 -1.974 1.00 0.00 H new ATOM 0 HD2 PRO A 99 3.619 15.712 -2.434 1.00 0.00 H new ATOM 0 HD3 PRO A 99 3.419 14.371 -3.545 1.00 0.00 H new ATOM 1510 N GLY A 100 0.071 13.552 0.711 1.00 0.00 N ATOM 1511 CA GLY A 100 -0.375 13.979 2.024 1.00 0.00 C ATOM 1512 C GLY A 100 -0.050 12.967 3.104 1.00 0.00 C ATOM 1513 O GLY A 100 0.830 12.125 2.930 1.00 0.00 O ATOM 0 H GLY A 100 -0.537 12.874 0.252 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.093 14.932 2.271 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.452 14.149 2.001 1.00 0.00 H new ATOM 1517 N GLU A 101 -0.761 13.049 4.224 1.00 0.00 N ATOM 1518 CA GLU A 101 -0.541 12.134 5.338 1.00 0.00 C ATOM 1519 C GLU A 101 -0.711 10.685 4.892 1.00 0.00 C ATOM 1520 O GLU A 101 -1.651 10.351 4.172 1.00 0.00 O ATOM 1521 CB GLU A 101 -1.510 12.444 6.481 1.00 0.00 C ATOM 1522 CG GLU A 101 -1.086 11.852 7.815 1.00 0.00 C ATOM 1523 CD GLU A 101 0.363 12.146 8.150 1.00 0.00 C ATOM 1524 OE1 GLU A 101 1.243 11.392 7.684 1.00 0.00 O ATOM 1525 OE2 GLU A 101 0.617 13.128 8.878 1.00 0.00 O ATOM 0 H GLU A 101 -1.494 13.740 4.384 1.00 0.00 H new ATOM 0 HA GLU A 101 0.481 12.271 5.691 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.602 13.525 6.585 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.498 12.064 6.222 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.725 12.249 8.604 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.238 10.773 7.794 1.00 0.00 H new ATOM 1532 N SER A 102 0.208 9.827 5.326 1.00 0.00 N ATOM 1533 CA SER A 102 0.164 8.414 4.969 1.00 0.00 C ATOM 1534 C SER A 102 -0.596 7.611 6.021 1.00 0.00 C ATOM 1535 O SER A 102 -0.575 7.943 7.206 1.00 0.00 O ATOM 1536 CB SER A 102 1.582 7.861 4.815 1.00 0.00 C ATOM 1537 OG SER A 102 2.364 8.134 5.965 1.00 0.00 O ATOM 0 H SER A 102 0.992 10.086 5.925 1.00 0.00 H new ATOM 0 HA SER A 102 -0.360 8.321 4.018 1.00 0.00 H new ATOM 0 HB2 SER A 102 1.540 6.785 4.647 1.00 0.00 H new ATOM 0 HB3 SER A 102 2.054 8.302 3.937 1.00 0.00 H new ATOM 0 HG SER A 102 3.265 7.769 5.842 1.00 0.00 H new ATOM 1543 N SER A 103 -1.267 6.553 5.577 1.00 0.00 N ATOM 1544 CA SER A 103 -2.038 5.704 6.479 1.00 0.00 C ATOM 1545 C SER A 103 -1.131 4.708 7.194 1.00 0.00 C ATOM 1546 O SER A 103 0.027 4.526 6.819 1.00 0.00 O ATOM 1547 CB SER A 103 -3.126 4.957 5.704 1.00 0.00 C ATOM 1548 OG SER A 103 -2.559 4.084 4.743 1.00 0.00 O ATOM 0 H SER A 103 -1.293 6.263 4.599 1.00 0.00 H new ATOM 0 HA SER A 103 -2.508 6.342 7.227 1.00 0.00 H new ATOM 0 HB2 SER A 103 -3.745 4.387 6.397 1.00 0.00 H new ATOM 0 HB3 SER A 103 -3.780 5.674 5.208 1.00 0.00 H new ATOM 0 HG SER A 103 -2.338 4.589 3.933 1.00 0.00 H new ATOM 1554 N GLN A 104 -1.668 4.065 8.226 1.00 0.00 N ATOM 1555 CA GLN A 104 -0.907 3.087 8.995 1.00 0.00 C ATOM 1556 C GLN A 104 -0.589 1.858 8.150 1.00 0.00 C ATOM 1557 O GLN A 104 -1.425 1.358 7.397 1.00 0.00 O ATOM 1558 CB GLN A 104 -1.685 2.673 10.245 1.00 0.00 C ATOM 1559 CG GLN A 104 -1.816 3.783 11.275 1.00 0.00 C ATOM 1560 CD GLN A 104 -3.059 4.627 11.069 1.00 0.00 C ATOM 1561 OE1 GLN A 104 -3.267 5.194 9.996 1.00 0.00 O ATOM 1562 NE2 GLN A 104 -3.894 4.714 12.098 1.00 0.00 N ATOM 0 H GLN A 104 -2.626 4.203 8.549 1.00 0.00 H new ATOM 0 HA GLN A 104 0.032 3.551 9.297 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -2.681 2.343 9.950 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -1.189 1.818 10.705 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -1.840 3.346 12.273 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -0.935 4.423 11.228 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -3.682 4.228 12.969 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -4.747 5.267 12.017 1.00 0.00 H new ATOM 1571 N PRO A 105 0.649 1.358 8.275 1.00 0.00 N ATOM 1572 CA PRO A 105 1.106 0.181 7.530 1.00 0.00 C ATOM 1573 C PRO A 105 0.434 -1.103 8.004 1.00 0.00 C ATOM 1574 O PRO A 105 0.586 -1.503 9.159 1.00 0.00 O ATOM 1575 CB PRO A 105 2.609 0.137 7.821 1.00 0.00 C ATOM 1576 CG PRO A 105 2.761 0.838 9.127 1.00 0.00 C ATOM 1577 CD PRO A 105 1.698 1.902 9.153 1.00 0.00 C ATOM 0 HA PRO A 105 0.865 0.252 6.469 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.972 -0.889 7.878 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.179 0.634 7.036 1.00 0.00 H new ATOM 0 HG2 PRO A 105 2.639 0.144 9.959 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.754 1.277 9.221 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.327 2.075 10.163 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.075 2.856 8.785 1.00 0.00 H new ATOM 1585 N ILE A 106 -0.308 -1.744 7.107 1.00 0.00 N ATOM 1586 CA ILE A 106 -1.001 -2.983 7.435 1.00 0.00 C ATOM 1587 C ILE A 106 -0.201 -4.198 6.978 1.00 0.00 C ATOM 1588 O ILE A 106 0.498 -4.150 5.966 1.00 0.00 O ATOM 1589 CB ILE A 106 -2.400 -3.032 6.793 1.00 0.00 C ATOM 1590 CG1 ILE A 106 -2.284 -3.074 5.268 1.00 0.00 C ATOM 1591 CG2 ILE A 106 -3.228 -1.834 7.234 1.00 0.00 C ATOM 1592 CD1 ILE A 106 -3.484 -3.694 4.588 1.00 0.00 C ATOM 0 H ILE A 106 -0.444 -1.425 6.148 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.107 -3.008 8.520 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.904 -3.939 7.125 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -2.149 -2.059 4.894 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.391 -3.636 4.995 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.214 -1.883 6.772 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.335 -1.845 8.319 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.729 -0.914 6.928 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -3.333 -3.690 3.509 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.608 -4.720 4.934 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.377 -3.119 4.831 1.00 0.00 H new ATOM 1604 N LYS A 107 -0.311 -5.289 7.730 1.00 0.00 N ATOM 1605 CA LYS A 107 0.399 -6.519 7.402 1.00 0.00 C ATOM 1606 C LYS A 107 -0.570 -7.596 6.926 1.00 0.00 C ATOM 1607 O LYS A 107 -1.484 -7.988 7.653 1.00 0.00 O ATOM 1608 CB LYS A 107 1.180 -7.022 8.618 1.00 0.00 C ATOM 1609 CG LYS A 107 2.560 -6.402 8.753 1.00 0.00 C ATOM 1610 CD LYS A 107 3.502 -7.303 9.535 1.00 0.00 C ATOM 1611 CE LYS A 107 4.951 -6.875 9.366 1.00 0.00 C ATOM 1612 NZ LYS A 107 5.222 -5.562 10.014 1.00 0.00 N ATOM 0 H LYS A 107 -0.886 -5.346 8.571 1.00 0.00 H new ATOM 0 HA LYS A 107 1.098 -6.301 6.594 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.606 -6.811 9.520 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.282 -8.105 8.551 1.00 0.00 H new ATOM 0 HG2 LYS A 107 2.974 -6.214 7.762 1.00 0.00 H new ATOM 0 HG3 LYS A 107 2.479 -5.437 9.253 1.00 0.00 H new ATOM 0 HD2 LYS A 107 3.236 -7.280 10.592 1.00 0.00 H new ATOM 0 HD3 LYS A 107 3.384 -8.333 9.199 1.00 0.00 H new ATOM 0 HE2 LYS A 107 5.606 -7.633 9.795 1.00 0.00 H new ATOM 0 HE3 LYS A 107 5.189 -6.812 8.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 6.221 -5.306 9.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 4.616 -4.833 9.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 5.019 -5.629 11.032 1.00 0.00 H new ATOM 1626 N VAL A 108 -0.365 -8.073 5.702 1.00 0.00 N ATOM 1627 CA VAL A 108 -1.220 -9.107 5.131 1.00 0.00 C ATOM 1628 C VAL A 108 -0.392 -10.264 4.585 1.00 0.00 C ATOM 1629 O VAL A 108 0.584 -10.057 3.864 1.00 0.00 O ATOM 1630 CB VAL A 108 -2.103 -8.544 4.002 1.00 0.00 C ATOM 1631 CG1 VAL A 108 -2.996 -9.635 3.428 1.00 0.00 C ATOM 1632 CG2 VAL A 108 -2.935 -7.375 4.509 1.00 0.00 C ATOM 0 H VAL A 108 0.386 -7.760 5.087 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.860 -9.470 5.936 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.455 -8.180 3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.613 -9.219 2.632 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.377 -10.438 3.026 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -3.638 -10.031 4.215 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.553 -6.989 3.698 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.575 -7.711 5.325 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.274 -6.586 4.868 1.00 0.00 H new ATOM 1642 N ALA A 109 -0.787 -11.484 4.933 1.00 0.00 N ATOM 1643 CA ALA A 109 -0.083 -12.676 4.476 1.00 0.00 C ATOM 1644 C ALA A 109 -0.847 -13.366 3.351 1.00 0.00 C ATOM 1645 O ALA A 109 -2.014 -13.725 3.507 1.00 0.00 O ATOM 1646 CB ALA A 109 0.136 -13.637 5.635 1.00 0.00 C ATOM 0 H ALA A 109 -1.592 -11.673 5.531 1.00 0.00 H new ATOM 0 HA ALA A 109 0.887 -12.368 4.086 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.663 -14.522 5.279 1.00 0.00 H new ATOM 0 HB2 ALA A 109 0.730 -13.147 6.407 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -0.828 -13.931 6.051 1.00 0.00 H new ATOM 1652 N THR A 110 -0.180 -13.550 2.216 1.00 0.00 N ATOM 1653 CA THR A 110 -0.796 -14.196 1.064 1.00 0.00 C ATOM 1654 C THR A 110 -1.381 -15.552 1.441 1.00 0.00 C ATOM 1655 O THR A 110 -1.241 -16.003 2.578 1.00 0.00 O ATOM 1656 CB THR A 110 0.217 -14.388 -0.081 1.00 0.00 C ATOM 1657 OG1 THR A 110 1.430 -14.952 0.427 1.00 0.00 O ATOM 1658 CG2 THR A 110 0.516 -13.063 -0.766 1.00 0.00 C ATOM 0 H THR A 110 0.787 -13.261 2.070 1.00 0.00 H new ATOM 0 HA THR A 110 -1.597 -13.539 0.725 1.00 0.00 H new ATOM 0 HB THR A 110 -0.220 -15.067 -0.813 1.00 0.00 H new ATOM 0 HG1 THR A 110 2.179 -14.691 -0.149 1.00 0.00 H new ATOM 0 HG21 THR A 110 1.233 -13.223 -1.571 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.405 -12.650 -1.178 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.934 -12.365 -0.041 1.00 0.00 H new ATOM 1666 N GLN A 111 -2.035 -16.198 0.481 1.00 0.00 N ATOM 1667 CA GLN A 111 -2.641 -17.503 0.714 1.00 0.00 C ATOM 1668 C GLN A 111 -1.765 -18.618 0.153 1.00 0.00 C ATOM 1669 O GLN A 111 -1.020 -18.431 -0.810 1.00 0.00 O ATOM 1670 CB GLN A 111 -4.032 -17.564 0.082 1.00 0.00 C ATOM 1671 CG GLN A 111 -4.915 -16.379 0.439 1.00 0.00 C ATOM 1672 CD GLN A 111 -6.351 -16.564 -0.011 1.00 0.00 C ATOM 1673 OE1 GLN A 111 -6.686 -17.554 -0.662 1.00 0.00 O ATOM 1674 NE2 GLN A 111 -7.208 -15.611 0.335 1.00 0.00 N ATOM 0 H GLN A 111 -2.159 -15.839 -0.466 1.00 0.00 H new ATOM 0 HA GLN A 111 -2.733 -17.645 1.791 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -3.928 -17.615 -1.002 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -4.526 -18.483 0.398 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -4.893 -16.227 1.518 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -4.508 -15.477 -0.018 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -6.887 -14.808 0.875 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -8.188 -15.682 0.061 1.00 0.00 H new ATOM 1683 N PRO A 112 -1.854 -19.808 0.766 1.00 0.00 N ATOM 1684 CA PRO A 112 -1.077 -20.977 0.344 1.00 0.00 C ATOM 1685 C PRO A 112 -1.540 -21.526 -1.001 1.00 0.00 C ATOM 1686 O PRO A 112 -2.708 -21.875 -1.169 1.00 0.00 O ATOM 1687 CB PRO A 112 -1.337 -21.996 1.456 1.00 0.00 C ATOM 1688 CG PRO A 112 -2.653 -21.601 2.032 1.00 0.00 C ATOM 1689 CD PRO A 112 -2.721 -20.103 1.919 1.00 0.00 C ATOM 0 HA PRO A 112 -0.023 -20.737 0.205 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -1.366 -23.012 1.063 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -0.550 -21.968 2.210 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -3.473 -22.071 1.490 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -2.735 -21.918 3.072 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -3.742 -19.759 1.753 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -2.364 -19.615 2.826 1.00 0.00 H new