USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 863 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 99 SER OG : rot 168:sc= -4.37! USER MOD Set 1.2: A 106 THR OG1 : rot -48:sc= -5.44! USER MOD Set 2.1: A 92 THR OG1 : rot 113:sc= 1.17 USER MOD Set 2.2: A 94 GLN : amide:sc= -1.28! C(o=-0.1!,f=-8.3!) USER MOD Set 3.1: A 26 TYR OH : rot 51:sc= -0.636! USER MOD Set 3.2: A 41 ASN : amide:sc= -5.83! C(o=-6.5!,f=-13!) USER MOD Set 4.1: A 23 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot 10:sc= -17.4! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 15:sc= -0.855 USER MOD Single : A 46 SER OG : rot -100:sc= -1.07! USER MOD Single : A 49 THR OG1 : rot 107:sc= 0.044 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot -160:sc= 0.76 USER MOD Single : A 76 GLN : amide:sc= -0.453 K(o=-0.45,f=-3.8!) USER MOD Single : A 77 GLN : amide:sc= -0.913 K(o=-0.91,f=-2!) USER MOD Single : A 82 ASN : amide:sc= -11! C(o=-11!,f=-11!) USER MOD Single : A 83 LYS NZ :NH3+ 149:sc= 0.941 (180deg=0.399) USER MOD Single : A 84 THR OG1 : rot -170:sc= -4.33! USER MOD Single : A 85 MET CE :methyl 161:sc= -7.45! (180deg=-10.4!) USER MOD Single : A 89 SER OG : rot 27:sc= 1.01 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -2.3 K(o=-2.3,f=-9.9!) USER MOD Single : A 96 TYR OH : rot 180:sc=-0.00672 USER MOD Single : A 98 SER OG : rot -66:sc= 1.07 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 157:sc= -0.0279 (180deg=-0.384) USER MOD Single : A 109 SER OG : rot -7:sc= 0.576! USER MOD Single : A 112 TYR OH : rot -133:sc= -1.23! USER MOD Single : A 116 LYS NZ :NH3+ 140:sc= 0.925 (180deg=0.192) USER MOD ----------------------------------------------------------------- ATOM 159 N PRO A 12 -8.161 -7.089 -1.134 1.00 0.00 N ATOM 160 CA PRO A 12 -6.711 -6.972 -1.253 1.00 0.00 C ATOM 161 C PRO A 12 -6.148 -6.245 -0.025 1.00 0.00 C ATOM 162 O PRO A 12 -6.558 -6.485 1.092 1.00 0.00 O ATOM 163 CB PRO A 12 -6.496 -6.128 -2.511 1.00 0.00 C ATOM 164 CG PRO A 12 -7.818 -6.313 -3.313 1.00 0.00 C ATOM 165 CD PRO A 12 -8.926 -6.500 -2.244 1.00 0.00 C ATOM 0 HA PRO A 12 -6.213 -7.940 -1.314 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -6.321 -5.081 -2.265 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -5.632 -6.471 -3.080 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.021 -5.446 -3.941 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.759 -7.178 -3.973 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.392 -5.555 -1.966 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.723 -7.159 -2.589 1.00 0.00 H new ATOM 173 N VAL A 13 -5.225 -5.341 -0.223 1.00 0.00 N ATOM 174 CA VAL A 13 -4.658 -4.587 0.929 1.00 0.00 C ATOM 175 C VAL A 13 -5.013 -3.104 0.771 1.00 0.00 C ATOM 176 O VAL A 13 -4.199 -2.320 0.324 1.00 0.00 O ATOM 177 CB VAL A 13 -3.137 -4.753 0.955 1.00 0.00 C ATOM 178 CG1 VAL A 13 -2.542 -3.848 2.036 1.00 0.00 C ATOM 179 CG2 VAL A 13 -2.791 -6.211 1.266 1.00 0.00 C ATOM 0 H VAL A 13 -4.840 -5.093 -1.135 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.072 -4.969 1.862 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.725 -4.478 -0.016 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.459 -3.967 2.054 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.790 -2.809 1.818 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.953 -4.123 3.007 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.708 -6.332 1.285 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.204 -6.484 2.237 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.215 -6.857 0.497 1.00 0.00 H new ATOM 189 N PRO A 14 -6.226 -2.766 1.139 1.00 0.00 N ATOM 190 CA PRO A 14 -6.708 -1.398 1.039 1.00 0.00 C ATOM 191 C PRO A 14 -5.684 -0.430 1.631 1.00 0.00 C ATOM 192 O PRO A 14 -5.215 -0.616 2.736 1.00 0.00 O ATOM 193 CB PRO A 14 -7.993 -1.385 1.858 1.00 0.00 C ATOM 194 CG PRO A 14 -8.480 -2.867 1.799 1.00 0.00 C ATOM 195 CD PRO A 14 -7.193 -3.733 1.683 1.00 0.00 C ATOM 0 HA PRO A 14 -6.872 -1.087 0.007 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.812 -1.063 2.883 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.731 -0.703 1.435 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.047 -3.128 2.692 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.138 -3.028 0.945 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.877 -4.127 2.649 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.333 -4.587 1.021 1.00 0.00 H new ATOM 203 N LEU A 15 -5.336 0.610 0.918 1.00 0.00 N ATOM 204 CA LEU A 15 -4.350 1.576 1.476 1.00 0.00 C ATOM 205 C LEU A 15 -4.964 2.983 1.591 1.00 0.00 C ATOM 206 O LEU A 15 -4.342 3.950 1.206 1.00 0.00 O ATOM 207 CB LEU A 15 -3.117 1.624 0.574 1.00 0.00 C ATOM 208 CG LEU A 15 -2.499 0.227 0.493 1.00 0.00 C ATOM 209 CD1 LEU A 15 -2.058 -0.060 -0.942 1.00 0.00 C ATOM 210 CD2 LEU A 15 -1.285 0.154 1.422 1.00 0.00 C ATOM 0 H LEU A 15 -5.688 0.829 -0.014 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.065 1.244 2.474 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.393 1.971 -0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.390 2.334 0.969 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.239 -0.513 0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.618 -1.056 -0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.922 -0.009 -1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.319 0.680 -1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.843 -0.841 1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.548 0.896 1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.598 0.354 2.447 1.00 0.00 H new ATOM 222 N PRO A 16 -6.155 3.058 2.153 1.00 0.00 N ATOM 223 CA PRO A 16 -6.846 4.323 2.367 1.00 0.00 C ATOM 224 C PRO A 16 -5.879 5.444 2.780 1.00 0.00 C ATOM 225 O PRO A 16 -6.170 6.610 2.602 1.00 0.00 O ATOM 226 CB PRO A 16 -7.831 4.025 3.488 1.00 0.00 C ATOM 227 CG PRO A 16 -8.109 2.492 3.356 1.00 0.00 C ATOM 228 CD PRO A 16 -6.895 1.874 2.597 1.00 0.00 C ATOM 0 HA PRO A 16 -7.330 4.678 1.457 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.411 4.271 4.463 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.746 4.607 3.379 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.223 2.034 4.339 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.036 2.313 2.811 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.292 1.240 3.247 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.214 1.258 1.757 1.00 0.00 H new ATOM 236 N GLU A 17 -4.735 5.116 3.324 1.00 0.00 N ATOM 237 CA GLU A 17 -3.771 6.184 3.733 1.00 0.00 C ATOM 238 C GLU A 17 -3.055 6.760 2.498 1.00 0.00 C ATOM 239 O GLU A 17 -2.039 7.416 2.613 1.00 0.00 O ATOM 240 CB GLU A 17 -2.734 5.590 4.689 1.00 0.00 C ATOM 241 CG GLU A 17 -2.212 6.684 5.621 1.00 0.00 C ATOM 242 CD GLU A 17 -3.384 7.321 6.370 1.00 0.00 C ATOM 243 OE1 GLU A 17 -4.439 6.708 6.410 1.00 0.00 O ATOM 244 OE2 GLU A 17 -3.207 8.410 6.891 1.00 0.00 O ATOM 0 H GLU A 17 -4.427 4.160 3.502 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.319 6.985 4.229 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.181 4.784 5.271 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.910 5.156 4.124 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.500 6.262 6.330 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.679 7.442 5.047 1.00 0.00 H new ATOM 251 N LEU A 18 -3.577 6.526 1.324 1.00 0.00 N ATOM 252 CA LEU A 18 -2.941 7.059 0.089 1.00 0.00 C ATOM 253 C LEU A 18 -4.040 7.299 -0.951 1.00 0.00 C ATOM 254 O LEU A 18 -4.350 6.425 -1.736 1.00 0.00 O ATOM 255 CB LEU A 18 -1.938 6.034 -0.448 1.00 0.00 C ATOM 256 CG LEU A 18 -0.802 6.759 -1.169 1.00 0.00 C ATOM 257 CD1 LEU A 18 0.514 6.509 -0.430 1.00 0.00 C ATOM 258 CD2 LEU A 18 -0.691 6.229 -2.599 1.00 0.00 C ATOM 0 H LEU A 18 -4.426 5.982 1.168 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.417 7.991 0.302 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.539 5.436 0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.436 5.346 -1.131 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.008 7.829 -1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.324 7.026 -0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.435 6.883 0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.722 5.439 -0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.118 6.744 -3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.484 5.159 -2.575 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.629 6.405 -3.126 1.00 0.00 H new ATOM 270 N PRO A 19 -4.613 8.476 -0.910 1.00 0.00 N ATOM 271 CA PRO A 19 -5.689 8.843 -1.818 1.00 0.00 C ATOM 272 C PRO A 19 -5.342 8.461 -3.259 1.00 0.00 C ATOM 273 O PRO A 19 -4.191 8.335 -3.623 1.00 0.00 O ATOM 274 CB PRO A 19 -5.813 10.353 -1.670 1.00 0.00 C ATOM 275 CG PRO A 19 -5.275 10.625 -0.230 1.00 0.00 C ATOM 276 CD PRO A 19 -4.213 9.521 0.046 1.00 0.00 C ATOM 0 HA PRO A 19 -6.621 8.327 -1.586 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.227 10.879 -2.423 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.846 10.684 -1.781 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.832 11.619 -0.160 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.081 10.583 0.502 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.198 9.875 -0.135 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.248 9.168 1.077 1.00 0.00 H new ATOM 284 N CYS A 20 -6.341 8.271 -4.077 1.00 0.00 N ATOM 285 CA CYS A 20 -6.091 7.890 -5.495 1.00 0.00 C ATOM 286 C CYS A 20 -6.219 9.122 -6.394 1.00 0.00 C ATOM 287 O CYS A 20 -5.237 9.726 -6.778 1.00 0.00 O ATOM 288 CB CYS A 20 -7.119 6.841 -5.919 1.00 0.00 C ATOM 289 SG CYS A 20 -6.260 5.358 -6.501 1.00 0.00 S ATOM 0 H CYS A 20 -7.324 8.364 -3.822 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.085 7.482 -5.590 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.769 6.593 -5.080 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.756 7.239 -6.709 1.00 0.00 H new ATOM 0 HG CYS A 20 -4.992 5.456 -6.229 1.00 0.00 H new ATOM 295 N GLU A 21 -7.422 9.499 -6.736 1.00 0.00 N ATOM 296 CA GLU A 21 -7.609 10.688 -7.612 1.00 0.00 C ATOM 297 C GLU A 21 -7.841 11.926 -6.745 1.00 0.00 C ATOM 298 O GLU A 21 -8.667 12.763 -7.048 1.00 0.00 O ATOM 299 CB GLU A 21 -8.821 10.468 -8.521 1.00 0.00 C ATOM 300 CG GLU A 21 -8.489 10.942 -9.937 1.00 0.00 C ATOM 301 CD GLU A 21 -9.775 11.370 -10.647 1.00 0.00 C ATOM 302 OE1 GLU A 21 -10.804 10.775 -10.376 1.00 0.00 O ATOM 303 OE2 GLU A 21 -9.707 12.286 -11.451 1.00 0.00 O ATOM 0 H GLU A 21 -8.282 9.034 -6.446 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.718 10.833 -8.224 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.093 9.412 -8.534 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.682 11.014 -8.136 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.788 11.776 -9.898 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.002 10.142 -10.495 1.00 0.00 H new ATOM 310 N LYS A 22 -7.123 12.045 -5.661 1.00 0.00 N ATOM 311 CA LYS A 22 -7.311 13.225 -4.775 1.00 0.00 C ATOM 312 C LYS A 22 -8.788 13.338 -4.403 1.00 0.00 C ATOM 313 O LYS A 22 -9.265 14.386 -4.012 1.00 0.00 O ATOM 314 CB LYS A 22 -6.871 14.494 -5.510 1.00 0.00 C ATOM 315 CG LYS A 22 -5.800 15.215 -4.689 1.00 0.00 C ATOM 316 CD LYS A 22 -6.302 15.415 -3.257 1.00 0.00 C ATOM 317 CE LYS A 22 -5.318 14.774 -2.277 1.00 0.00 C ATOM 318 NZ LYS A 22 -5.198 15.631 -1.063 1.00 0.00 N ATOM 0 H LYS A 22 -6.417 11.377 -5.353 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.711 13.106 -3.873 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.479 14.239 -6.495 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.727 15.151 -5.668 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.878 14.634 -4.684 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.567 16.179 -5.142 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.405 16.479 -3.042 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.290 14.969 -3.141 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.661 13.777 -1.999 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.343 14.655 -2.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.529 15.196 -0.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.852 16.573 -1.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.129 15.723 -0.609 1.00 0.00 H new ATOM 332 N SER A 23 -9.519 12.263 -4.523 1.00 0.00 N ATOM 333 CA SER A 23 -10.967 12.303 -4.179 1.00 0.00 C ATOM 334 C SER A 23 -11.239 11.359 -3.008 1.00 0.00 C ATOM 335 O SER A 23 -10.370 11.087 -2.204 1.00 0.00 O ATOM 336 CB SER A 23 -11.791 11.862 -5.390 1.00 0.00 C ATOM 337 OG SER A 23 -12.846 12.790 -5.604 1.00 0.00 O ATOM 0 H SER A 23 -9.175 11.358 -4.845 1.00 0.00 H new ATOM 0 HA SER A 23 -11.246 13.319 -3.899 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.157 11.805 -6.275 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.197 10.864 -5.224 1.00 0.00 H new ATOM 0 HG SER A 23 -13.375 12.511 -6.381 1.00 0.00 H new ATOM 343 N ASP A 24 -12.437 10.854 -2.907 1.00 0.00 N ATOM 344 CA ASP A 24 -12.759 9.924 -1.791 1.00 0.00 C ATOM 345 C ASP A 24 -12.231 8.528 -2.130 1.00 0.00 C ATOM 346 O ASP A 24 -12.445 7.580 -1.401 1.00 0.00 O ATOM 347 CB ASP A 24 -14.276 9.864 -1.598 1.00 0.00 C ATOM 348 CG ASP A 24 -14.620 10.211 -0.148 1.00 0.00 C ATOM 349 OD1 ASP A 24 -14.350 9.392 0.716 1.00 0.00 O ATOM 350 OD2 ASP A 24 -15.147 11.288 0.074 1.00 0.00 O ATOM 0 H ASP A 24 -13.206 11.045 -3.549 1.00 0.00 H new ATOM 0 HA ASP A 24 -12.292 10.279 -0.872 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.767 10.561 -2.276 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.645 8.868 -1.842 1.00 0.00 H new ATOM 355 N ALA A 25 -11.542 8.395 -3.232 1.00 0.00 N ATOM 356 CA ALA A 25 -11.001 7.064 -3.614 1.00 0.00 C ATOM 357 C ALA A 25 -9.637 6.865 -2.954 1.00 0.00 C ATOM 358 O ALA A 25 -8.944 7.811 -2.641 1.00 0.00 O ATOM 359 CB ALA A 25 -10.843 7.001 -5.134 1.00 0.00 C ATOM 0 H ALA A 25 -11.332 9.152 -3.882 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.684 6.281 -3.284 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.446 6.026 -5.418 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.814 7.150 -5.607 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.156 7.782 -5.461 1.00 0.00 H new ATOM 365 N TYR A 26 -9.244 5.640 -2.743 1.00 0.00 N ATOM 366 CA TYR A 26 -7.923 5.385 -2.108 1.00 0.00 C ATOM 367 C TYR A 26 -7.129 4.410 -2.978 1.00 0.00 C ATOM 368 O TYR A 26 -7.484 4.151 -4.111 1.00 0.00 O ATOM 369 CB TYR A 26 -8.122 4.786 -0.715 1.00 0.00 C ATOM 370 CG TYR A 26 -9.387 3.961 -0.682 1.00 0.00 C ATOM 371 CD1 TYR A 26 -10.635 4.594 -0.652 1.00 0.00 C ATOM 372 CD2 TYR A 26 -9.310 2.564 -0.677 1.00 0.00 C ATOM 373 CE1 TYR A 26 -11.808 3.830 -0.617 1.00 0.00 C ATOM 374 CE2 TYR A 26 -10.482 1.798 -0.641 1.00 0.00 C ATOM 375 CZ TYR A 26 -11.730 2.432 -0.612 1.00 0.00 C ATOM 376 OH TYR A 26 -12.886 1.678 -0.578 1.00 0.00 O ATOM 0 H TYR A 26 -9.780 4.806 -2.983 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.377 6.324 -2.015 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.266 4.165 -0.452 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.178 5.582 0.027 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.693 5.672 -0.656 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.347 2.076 -0.701 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -12.771 4.318 -0.594 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -10.423 0.720 -0.636 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.495 1.981 -1.283 1.00 0.00 H new ATOM 386 N PHE A 27 -6.052 3.876 -2.471 1.00 0.00 N ATOM 387 CA PHE A 27 -5.245 2.931 -3.290 1.00 0.00 C ATOM 388 C PHE A 27 -5.331 1.512 -2.718 1.00 0.00 C ATOM 389 O PHE A 27 -4.487 1.083 -1.958 1.00 0.00 O ATOM 390 CB PHE A 27 -3.785 3.390 -3.303 1.00 0.00 C ATOM 391 CG PHE A 27 -3.499 4.094 -4.608 1.00 0.00 C ATOM 392 CD1 PHE A 27 -3.765 3.450 -5.822 1.00 0.00 C ATOM 393 CD2 PHE A 27 -2.972 5.390 -4.604 1.00 0.00 C ATOM 394 CE1 PHE A 27 -3.504 4.102 -7.031 1.00 0.00 C ATOM 395 CE2 PHE A 27 -2.711 6.043 -5.815 1.00 0.00 C ATOM 396 CZ PHE A 27 -2.977 5.398 -7.029 1.00 0.00 C ATOM 0 H PHE A 27 -5.698 4.052 -1.531 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.640 2.921 -4.306 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.594 4.060 -2.465 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.121 2.534 -3.184 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.172 2.450 -5.825 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.767 5.887 -3.667 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.709 3.605 -7.967 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.305 7.044 -5.813 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.775 5.901 -7.963 1.00 0.00 H new ATOM 406 N VAL A 28 -6.340 0.777 -3.089 1.00 0.00 N ATOM 407 CA VAL A 28 -6.473 -0.618 -2.588 1.00 0.00 C ATOM 408 C VAL A 28 -5.481 -1.509 -3.343 1.00 0.00 C ATOM 409 O VAL A 28 -5.694 -1.867 -4.484 1.00 0.00 O ATOM 410 CB VAL A 28 -7.915 -1.105 -2.815 1.00 0.00 C ATOM 411 CG1 VAL A 28 -7.963 -2.637 -2.892 1.00 0.00 C ATOM 412 CG2 VAL A 28 -8.794 -0.632 -1.656 1.00 0.00 C ATOM 0 H VAL A 28 -7.081 1.083 -3.720 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.254 -0.661 -1.521 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.280 -0.695 -3.757 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.991 -2.961 -3.053 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.341 -2.979 -3.719 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.591 -3.060 -1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.817 -0.974 -1.812 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.413 -1.041 -0.720 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.779 0.457 -1.609 1.00 0.00 H new ATOM 422 N LEU A 29 -4.392 -1.860 -2.715 1.00 0.00 N ATOM 423 CA LEU A 29 -3.378 -2.717 -3.393 1.00 0.00 C ATOM 424 C LEU A 29 -4.042 -4.002 -3.889 1.00 0.00 C ATOM 425 O LEU A 29 -4.319 -4.903 -3.125 1.00 0.00 O ATOM 426 CB LEU A 29 -2.259 -3.060 -2.404 1.00 0.00 C ATOM 427 CG LEU A 29 -1.450 -4.254 -2.923 1.00 0.00 C ATOM 428 CD1 LEU A 29 0.040 -3.916 -2.897 1.00 0.00 C ATOM 429 CD2 LEU A 29 -1.712 -5.471 -2.034 1.00 0.00 C ATOM 0 H LEU A 29 -4.160 -1.590 -1.759 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.957 -2.181 -4.243 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.605 -2.198 -2.268 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.684 -3.294 -1.428 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.752 -4.477 -3.946 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.613 -4.767 -3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.228 -3.049 -3.531 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.344 -3.690 -1.875 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.137 -6.321 -2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.412 -5.246 -1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.774 -5.715 -2.055 1.00 0.00 H new ATOM 441 N ARG A 30 -4.287 -4.098 -5.167 1.00 0.00 N ATOM 442 CA ARG A 30 -4.922 -5.329 -5.712 1.00 0.00 C ATOM 443 C ARG A 30 -3.834 -6.264 -6.242 1.00 0.00 C ATOM 444 O ARG A 30 -2.656 -6.007 -6.092 1.00 0.00 O ATOM 445 CB ARG A 30 -5.874 -4.952 -6.850 1.00 0.00 C ATOM 446 CG ARG A 30 -7.219 -4.517 -6.267 1.00 0.00 C ATOM 447 CD ARG A 30 -7.856 -3.468 -7.181 1.00 0.00 C ATOM 448 NE ARG A 30 -8.501 -4.146 -8.339 1.00 0.00 N ATOM 449 CZ ARG A 30 -9.193 -5.237 -8.156 1.00 0.00 C ATOM 450 NH1 ARG A 30 -10.467 -5.165 -7.888 1.00 0.00 N ATOM 451 NH2 ARG A 30 -8.609 -6.401 -8.240 1.00 0.00 N ATOM 0 H ARG A 30 -4.075 -3.377 -5.856 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.484 -5.832 -4.924 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.445 -4.145 -7.445 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.013 -5.802 -7.519 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.880 -5.378 -6.168 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.078 -4.106 -5.267 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.595 -2.888 -6.628 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.098 -2.767 -7.532 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.402 -3.757 -9.277 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.924 -4.255 -7.821 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.007 -6.018 -7.745 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.612 -6.458 -8.449 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.149 -7.254 -8.097 1.00 0.00 H new ATOM 465 N ASP A 31 -4.215 -7.347 -6.860 1.00 0.00 N ATOM 466 CA ASP A 31 -3.196 -8.293 -7.397 1.00 0.00 C ATOM 467 C ASP A 31 -3.498 -8.590 -8.867 1.00 0.00 C ATOM 468 O ASP A 31 -4.281 -9.461 -9.188 1.00 0.00 O ATOM 469 CB ASP A 31 -3.232 -9.595 -6.592 1.00 0.00 C ATOM 470 CG ASP A 31 -4.594 -10.269 -6.768 1.00 0.00 C ATOM 471 OD1 ASP A 31 -5.514 -9.599 -7.208 1.00 0.00 O ATOM 472 OD2 ASP A 31 -4.695 -11.445 -6.458 1.00 0.00 O ATOM 0 H ASP A 31 -5.186 -7.618 -7.017 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.206 -7.844 -7.315 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.438 -10.263 -6.926 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.051 -9.388 -5.537 1.00 0.00 H new ATOM 477 N GLY A 32 -2.882 -7.871 -9.765 1.00 0.00 N ATOM 478 CA GLY A 32 -3.134 -8.112 -11.214 1.00 0.00 C ATOM 479 C GLY A 32 -2.727 -9.542 -11.572 1.00 0.00 C ATOM 480 O GLY A 32 -2.419 -10.344 -10.714 1.00 0.00 O ATOM 0 H GLY A 32 -2.215 -7.127 -9.558 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.188 -7.955 -11.442 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.569 -7.400 -11.816 1.00 0.00 H new ATOM 484 N ALA A 33 -2.722 -9.868 -12.837 1.00 0.00 N ATOM 485 CA ALA A 33 -2.335 -11.247 -13.248 1.00 0.00 C ATOM 486 C ALA A 33 -0.832 -11.290 -13.536 1.00 0.00 C ATOM 487 O ALA A 33 -0.325 -12.240 -14.099 1.00 0.00 O ATOM 488 CB ALA A 33 -3.107 -11.638 -14.509 1.00 0.00 C ATOM 0 H ALA A 33 -2.969 -9.240 -13.602 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.572 -11.946 -12.446 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -2.825 -12.647 -14.810 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.177 -11.607 -14.305 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.870 -10.940 -15.312 1.00 0.00 H new ATOM 494 N ALA A 34 -0.116 -10.269 -13.154 1.00 0.00 N ATOM 495 CA ALA A 34 1.353 -10.252 -13.405 1.00 0.00 C ATOM 496 C ALA A 34 2.086 -9.887 -12.113 1.00 0.00 C ATOM 497 O ALA A 34 3.075 -10.496 -11.756 1.00 0.00 O ATOM 498 CB ALA A 34 1.672 -9.215 -14.484 1.00 0.00 C ATOM 0 H ALA A 34 -0.485 -9.445 -12.679 1.00 0.00 H new ATOM 0 HA ALA A 34 1.677 -11.237 -13.740 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.746 -9.201 -14.669 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.149 -9.475 -15.404 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.349 -8.230 -14.148 1.00 0.00 H new ATOM 504 N GLY A 35 1.611 -8.895 -11.409 1.00 0.00 N ATOM 505 CA GLY A 35 2.281 -8.492 -10.141 1.00 0.00 C ATOM 506 C GLY A 35 1.328 -7.633 -9.310 1.00 0.00 C ATOM 507 O GLY A 35 0.416 -7.020 -9.829 1.00 0.00 O ATOM 0 H GLY A 35 0.788 -8.347 -11.658 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.576 -9.376 -9.576 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.192 -7.935 -10.360 1.00 0.00 H new ATOM 511 N VAL A 36 1.529 -7.583 -8.021 1.00 0.00 N ATOM 512 CA VAL A 36 0.632 -6.762 -7.159 1.00 0.00 C ATOM 513 C VAL A 36 0.797 -5.282 -7.513 1.00 0.00 C ATOM 514 O VAL A 36 1.820 -4.866 -8.019 1.00 0.00 O ATOM 515 CB VAL A 36 0.998 -6.978 -5.690 1.00 0.00 C ATOM 516 CG1 VAL A 36 2.510 -6.831 -5.514 1.00 0.00 C ATOM 517 CG2 VAL A 36 0.282 -5.936 -4.829 1.00 0.00 C ATOM 0 H VAL A 36 2.275 -8.075 -7.528 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.403 -7.062 -7.324 1.00 0.00 H new ATOM 0 HB VAL A 36 0.692 -7.978 -5.382 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.771 -6.985 -4.467 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.022 -7.572 -6.128 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.817 -5.831 -5.821 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.542 -6.089 -3.782 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.589 -4.936 -5.137 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.796 -6.039 -4.954 1.00 0.00 H new ATOM 527 N PHE A 37 -0.203 -4.486 -7.250 1.00 0.00 N ATOM 528 CA PHE A 37 -0.105 -3.034 -7.570 1.00 0.00 C ATOM 529 C PHE A 37 -1.093 -2.256 -6.698 1.00 0.00 C ATOM 530 O PHE A 37 -1.684 -2.793 -5.784 1.00 0.00 O ATOM 531 CB PHE A 37 -0.442 -2.813 -9.047 1.00 0.00 C ATOM 532 CG PHE A 37 -1.920 -3.028 -9.265 1.00 0.00 C ATOM 533 CD1 PHE A 37 -2.500 -4.266 -8.960 1.00 0.00 C ATOM 534 CD2 PHE A 37 -2.711 -1.990 -9.771 1.00 0.00 C ATOM 535 CE1 PHE A 37 -3.870 -4.465 -9.162 1.00 0.00 C ATOM 536 CE2 PHE A 37 -4.081 -2.189 -9.973 1.00 0.00 C ATOM 537 CZ PHE A 37 -4.662 -3.426 -9.668 1.00 0.00 C ATOM 0 H PHE A 37 -1.084 -4.779 -6.827 1.00 0.00 H new ATOM 0 HA PHE A 37 0.908 -2.684 -7.374 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.163 -1.803 -9.347 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.132 -3.501 -9.668 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.890 -5.067 -8.569 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.264 -1.035 -10.006 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.317 -5.420 -8.928 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.691 -1.388 -10.364 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.720 -3.579 -9.823 1.00 0.00 H new ATOM 547 N LEU A 38 -1.276 -0.995 -6.975 1.00 0.00 N ATOM 548 CA LEU A 38 -2.228 -0.184 -6.158 1.00 0.00 C ATOM 549 C LEU A 38 -3.231 0.510 -7.080 1.00 0.00 C ATOM 550 O LEU A 38 -2.942 1.532 -7.670 1.00 0.00 O ATOM 551 CB LEU A 38 -1.475 0.882 -5.345 1.00 0.00 C ATOM 552 CG LEU A 38 0.033 0.776 -5.583 1.00 0.00 C ATOM 553 CD1 LEU A 38 0.702 2.098 -5.203 1.00 0.00 C ATOM 554 CD2 LEU A 38 0.605 -0.350 -4.720 1.00 0.00 C ATOM 0 H LEU A 38 -0.810 -0.490 -7.729 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.748 -0.852 -5.472 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.824 1.875 -5.627 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.691 0.757 -4.284 1.00 0.00 H new ATOM 0 HG LEU A 38 0.222 0.562 -6.635 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.776 2.024 -5.372 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.293 2.902 -5.815 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.514 2.312 -4.151 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.679 -0.427 -4.888 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.417 -0.134 -3.668 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.127 -1.292 -4.988 1.00 0.00 H new ATOM 566 N ALA A 39 -4.413 -0.031 -7.203 1.00 0.00 N ATOM 567 CA ALA A 39 -5.431 0.607 -8.080 1.00 0.00 C ATOM 568 C ALA A 39 -6.393 1.427 -7.218 1.00 0.00 C ATOM 569 O ALA A 39 -6.548 1.185 -6.034 1.00 0.00 O ATOM 570 CB ALA A 39 -6.221 -0.468 -8.831 1.00 0.00 C ATOM 0 H ALA A 39 -4.715 -0.885 -6.735 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.930 1.254 -8.800 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.964 0.007 -9.471 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.540 -1.059 -9.443 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.722 -1.119 -8.114 1.00 0.00 H new ATOM 576 N ALA A 40 -7.043 2.393 -7.803 1.00 0.00 N ATOM 577 CA ALA A 40 -7.997 3.222 -7.020 1.00 0.00 C ATOM 578 C ALA A 40 -9.199 2.362 -6.628 1.00 0.00 C ATOM 579 O ALA A 40 -9.717 1.604 -7.423 1.00 0.00 O ATOM 580 CB ALA A 40 -8.466 4.400 -7.876 1.00 0.00 C ATOM 0 H ALA A 40 -6.955 2.643 -8.788 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.509 3.601 -6.122 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.166 5.009 -7.304 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.607 5.006 -8.163 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.960 4.025 -8.772 1.00 0.00 H new ATOM 586 N ASN A 41 -9.644 2.466 -5.406 1.00 0.00 N ATOM 587 CA ASN A 41 -10.810 1.646 -4.970 1.00 0.00 C ATOM 588 C ASN A 41 -12.078 2.146 -5.667 1.00 0.00 C ATOM 589 O ASN A 41 -13.135 1.560 -5.547 1.00 0.00 O ATOM 590 CB ASN A 41 -10.980 1.762 -3.454 1.00 0.00 C ATOM 591 CG ASN A 41 -12.326 1.161 -3.045 1.00 0.00 C ATOM 592 OD1 ASN A 41 -13.311 1.865 -2.933 1.00 0.00 O ATOM 593 ND2 ASN A 41 -12.412 -0.120 -2.814 1.00 0.00 N ATOM 0 H ASN A 41 -9.252 3.081 -4.693 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.638 0.603 -5.236 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.168 1.242 -2.945 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.929 2.808 -3.150 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.305 -0.530 -2.540 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.586 -0.712 -2.908 1.00 0.00 H new ATOM 600 N THR A 42 -11.983 3.226 -6.395 1.00 0.00 N ATOM 601 CA THR A 42 -13.185 3.758 -7.096 1.00 0.00 C ATOM 602 C THR A 42 -13.177 3.293 -8.556 1.00 0.00 C ATOM 603 O THR A 42 -14.054 3.637 -9.321 1.00 0.00 O ATOM 604 CB THR A 42 -13.171 5.287 -7.045 1.00 0.00 C ATOM 605 OG1 THR A 42 -11.918 5.765 -7.515 1.00 0.00 O ATOM 606 CG2 THR A 42 -13.391 5.754 -5.606 1.00 0.00 C ATOM 0 H THR A 42 -11.126 3.762 -6.534 1.00 0.00 H new ATOM 0 HA THR A 42 -14.084 3.387 -6.604 1.00 0.00 H new ATOM 0 HB THR A 42 -13.968 5.678 -7.677 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.446 5.043 -7.980 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.381 6.843 -5.571 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.354 5.389 -5.248 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.596 5.363 -4.971 1.00 0.00 H new ATOM 614 N PHE A 43 -12.195 2.514 -8.938 1.00 0.00 N ATOM 615 CA PHE A 43 -12.113 2.011 -10.346 1.00 0.00 C ATOM 616 C PHE A 43 -13.525 1.724 -10.877 1.00 0.00 C ATOM 617 O PHE A 43 -14.366 1.245 -10.143 1.00 0.00 O ATOM 618 CB PHE A 43 -11.293 0.717 -10.357 1.00 0.00 C ATOM 619 CG PHE A 43 -11.219 0.168 -11.762 1.00 0.00 C ATOM 620 CD1 PHE A 43 -12.313 -0.517 -12.304 1.00 0.00 C ATOM 621 CD2 PHE A 43 -10.057 0.348 -12.522 1.00 0.00 C ATOM 622 CE1 PHE A 43 -12.244 -1.025 -13.607 1.00 0.00 C ATOM 623 CE2 PHE A 43 -9.988 -0.160 -13.826 1.00 0.00 C ATOM 624 CZ PHE A 43 -11.082 -0.846 -14.368 1.00 0.00 C ATOM 0 H PHE A 43 -11.439 2.202 -8.329 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.640 2.761 -10.979 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -10.289 0.909 -9.979 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.748 -0.018 -9.693 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -13.210 -0.654 -11.718 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.214 0.878 -12.103 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -13.087 -1.555 -14.025 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -9.092 -0.023 -14.413 1.00 0.00 H new ATOM 0 HZ PHE A 43 -11.030 -1.237 -15.373 1.00 0.00 H new ATOM 634 N PRO A 44 -13.746 2.017 -12.137 1.00 0.00 N ATOM 635 CA PRO A 44 -12.733 2.593 -13.017 1.00 0.00 C ATOM 636 C PRO A 44 -12.570 4.095 -12.757 1.00 0.00 C ATOM 637 O PRO A 44 -11.776 4.754 -13.397 1.00 0.00 O ATOM 638 CB PRO A 44 -13.283 2.362 -14.418 1.00 0.00 C ATOM 639 CG PRO A 44 -14.830 2.326 -14.202 1.00 0.00 C ATOM 640 CD PRO A 44 -15.051 1.768 -12.765 1.00 0.00 C ATOM 0 HA PRO A 44 -11.751 2.144 -12.864 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.992 3.161 -15.100 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.916 1.429 -14.844 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.261 3.322 -14.304 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -15.313 1.692 -14.945 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.859 2.285 -12.246 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.304 0.708 -12.773 1.00 0.00 H new ATOM 648 N LYS A 45 -13.320 4.639 -11.833 1.00 0.00 N ATOM 649 CA LYS A 45 -13.215 6.096 -11.533 1.00 0.00 C ATOM 650 C LYS A 45 -11.748 6.533 -11.598 1.00 0.00 C ATOM 651 O LYS A 45 -11.441 7.663 -11.918 1.00 0.00 O ATOM 652 CB LYS A 45 -13.770 6.361 -10.132 1.00 0.00 C ATOM 653 CG LYS A 45 -13.342 7.752 -9.666 1.00 0.00 C ATOM 654 CD LYS A 45 -14.060 8.101 -8.361 1.00 0.00 C ATOM 655 CE LYS A 45 -14.126 9.621 -8.205 1.00 0.00 C ATOM 656 NZ LYS A 45 -14.578 9.959 -6.826 1.00 0.00 N ATOM 0 H LYS A 45 -14.004 4.132 -11.271 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.788 6.663 -12.267 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.858 6.288 -10.141 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.405 5.605 -9.436 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.263 7.780 -9.517 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.578 8.491 -10.431 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.066 7.681 -8.364 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.533 7.661 -7.515 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.147 10.060 -8.396 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.813 10.043 -8.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.623 10.992 -6.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.521 9.552 -6.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.906 9.569 -6.135 1.00 0.00 H new ATOM 670 N SER A 46 -10.842 5.643 -11.302 1.00 0.00 N ATOM 671 CA SER A 46 -9.401 6.005 -11.353 1.00 0.00 C ATOM 672 C SER A 46 -8.603 4.825 -11.908 1.00 0.00 C ATOM 673 O SER A 46 -8.586 3.752 -11.338 1.00 0.00 O ATOM 674 CB SER A 46 -8.907 6.339 -9.945 1.00 0.00 C ATOM 675 OG SER A 46 -8.822 7.750 -9.800 1.00 0.00 O ATOM 0 H SER A 46 -11.039 4.681 -11.027 1.00 0.00 H new ATOM 0 HA SER A 46 -9.266 6.873 -11.998 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.588 5.926 -9.201 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.931 5.885 -9.772 1.00 0.00 H new ATOM 0 HG SER A 46 -7.891 8.035 -9.911 1.00 0.00 H new ATOM 681 N ARG A 47 -7.940 5.013 -13.016 1.00 0.00 N ATOM 682 CA ARG A 47 -7.146 3.898 -13.604 1.00 0.00 C ATOM 683 C ARG A 47 -5.729 3.937 -13.033 1.00 0.00 C ATOM 684 O ARG A 47 -4.829 3.291 -13.533 1.00 0.00 O ATOM 685 CB ARG A 47 -7.091 4.058 -15.126 1.00 0.00 C ATOM 686 CG ARG A 47 -7.987 3.007 -15.783 1.00 0.00 C ATOM 687 CD ARG A 47 -7.813 3.064 -17.302 1.00 0.00 C ATOM 688 NE ARG A 47 -8.768 4.054 -17.874 1.00 0.00 N ATOM 689 CZ ARG A 47 -10.053 3.853 -17.774 1.00 0.00 C ATOM 690 NH1 ARG A 47 -10.598 2.814 -18.347 1.00 0.00 N ATOM 691 NH2 ARG A 47 -10.795 4.691 -17.104 1.00 0.00 N ATOM 0 H ARG A 47 -7.914 5.889 -13.538 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.613 2.944 -13.359 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.418 5.058 -15.409 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.065 3.947 -15.477 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.731 2.014 -15.414 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.029 3.186 -15.519 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.789 3.344 -17.551 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.989 2.080 -17.736 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.417 4.889 -18.344 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.019 2.159 -18.873 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.603 2.657 -18.269 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.370 5.504 -16.658 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.800 4.533 -17.026 1.00 0.00 H new ATOM 705 N GLU A 48 -5.526 4.688 -11.985 1.00 0.00 N ATOM 706 CA GLU A 48 -4.169 4.768 -11.377 1.00 0.00 C ATOM 707 C GLU A 48 -3.748 3.378 -10.897 1.00 0.00 C ATOM 708 O GLU A 48 -4.207 2.896 -9.881 1.00 0.00 O ATOM 709 CB GLU A 48 -4.198 5.731 -10.190 1.00 0.00 C ATOM 710 CG GLU A 48 -4.768 7.078 -10.640 1.00 0.00 C ATOM 711 CD GLU A 48 -5.462 7.760 -9.459 1.00 0.00 C ATOM 712 OE1 GLU A 48 -5.279 7.300 -8.344 1.00 0.00 O ATOM 713 OE2 GLU A 48 -6.163 8.731 -9.690 1.00 0.00 O ATOM 0 H GLU A 48 -6.242 5.250 -11.524 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.457 5.130 -12.119 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.807 5.317 -9.386 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.192 5.864 -9.792 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.969 7.713 -11.022 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.476 6.931 -11.456 1.00 0.00 H new ATOM 720 N THR A 49 -2.881 2.727 -11.622 1.00 0.00 N ATOM 721 CA THR A 49 -2.432 1.368 -11.208 1.00 0.00 C ATOM 722 C THR A 49 -0.953 1.192 -11.556 1.00 0.00 C ATOM 723 O THR A 49 -0.504 1.585 -12.616 1.00 0.00 O ATOM 724 CB THR A 49 -3.260 0.310 -11.944 1.00 0.00 C ATOM 725 OG1 THR A 49 -2.488 -0.874 -12.091 1.00 0.00 O ATOM 726 CG2 THR A 49 -3.658 0.837 -13.324 1.00 0.00 C ATOM 0 H THR A 49 -2.464 3.078 -12.484 1.00 0.00 H new ATOM 0 HA THR A 49 -2.568 1.252 -10.133 1.00 0.00 H new ATOM 0 HB THR A 49 -4.160 0.089 -11.370 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.824 -1.562 -11.479 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.247 0.083 -13.846 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.250 1.745 -13.210 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.761 1.060 -13.901 1.00 0.00 H new ATOM 734 N ARG A 50 -0.190 0.606 -10.675 1.00 0.00 N ATOM 735 CA ARG A 50 1.260 0.407 -10.959 1.00 0.00 C ATOM 736 C ARG A 50 1.994 0.078 -9.657 1.00 0.00 C ATOM 737 O ARG A 50 1.408 0.062 -8.592 1.00 0.00 O ATOM 738 CB ARG A 50 1.841 1.687 -11.563 1.00 0.00 C ATOM 739 CG ARG A 50 2.260 1.426 -13.011 1.00 0.00 C ATOM 740 CD ARG A 50 2.934 2.674 -13.581 1.00 0.00 C ATOM 741 NE ARG A 50 2.357 2.984 -14.918 1.00 0.00 N ATOM 742 CZ ARG A 50 2.642 2.229 -15.943 1.00 0.00 C ATOM 743 NH1 ARG A 50 1.912 1.178 -16.202 1.00 0.00 N ATOM 744 NH2 ARG A 50 3.656 2.522 -16.710 1.00 0.00 N ATOM 0 H ARG A 50 -0.507 0.256 -9.771 1.00 0.00 H new ATOM 0 HA ARG A 50 1.383 -0.416 -11.663 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.101 2.487 -11.526 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.700 2.020 -10.980 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.944 0.578 -13.055 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.389 1.164 -13.611 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.790 3.518 -12.907 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.009 2.513 -13.665 1.00 0.00 H new ATOM 0 HE ARG A 50 1.739 3.787 -15.033 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.119 0.948 -15.603 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.134 0.587 -17.003 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.227 3.343 -16.509 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.877 1.930 -17.511 1.00 0.00 H new ATOM 758 N ALA A 51 3.272 -0.182 -9.731 1.00 0.00 N ATOM 759 CA ALA A 51 4.035 -0.507 -8.494 1.00 0.00 C ATOM 760 C ALA A 51 4.156 0.751 -7.625 1.00 0.00 C ATOM 761 O ALA A 51 4.268 1.847 -8.139 1.00 0.00 O ATOM 762 CB ALA A 51 5.428 -1.007 -8.868 1.00 0.00 C ATOM 0 H ALA A 51 3.818 -0.183 -10.592 1.00 0.00 H new ATOM 0 HA ALA A 51 3.511 -1.284 -7.938 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.985 -1.244 -7.962 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.340 -1.902 -9.485 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.955 -0.233 -9.425 1.00 0.00 H new ATOM 768 N PRO A 52 4.112 0.558 -6.330 1.00 0.00 N ATOM 769 CA PRO A 52 4.196 1.657 -5.381 1.00 0.00 C ATOM 770 C PRO A 52 5.650 2.086 -5.145 1.00 0.00 C ATOM 771 O PRO A 52 6.551 1.271 -5.091 1.00 0.00 O ATOM 772 CB PRO A 52 3.613 1.081 -4.098 1.00 0.00 C ATOM 773 CG PRO A 52 3.911 -0.449 -4.208 1.00 0.00 C ATOM 774 CD PRO A 52 3.966 -0.778 -5.730 1.00 0.00 C ATOM 0 HA PRO A 52 3.670 2.543 -5.738 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.080 1.517 -3.215 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.543 1.276 -4.022 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.855 -0.697 -3.723 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.135 -1.032 -3.712 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.805 -1.429 -5.976 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.061 -1.281 -6.071 1.00 0.00 H new ATOM 782 N LEU A 53 5.874 3.362 -4.978 1.00 0.00 N ATOM 783 CA LEU A 53 7.250 3.861 -4.711 1.00 0.00 C ATOM 784 C LEU A 53 7.854 3.057 -3.554 1.00 0.00 C ATOM 785 O LEU A 53 7.204 2.807 -2.558 1.00 0.00 O ATOM 786 CB LEU A 53 7.182 5.333 -4.319 1.00 0.00 C ATOM 787 CG LEU A 53 8.251 6.106 -5.087 1.00 0.00 C ATOM 788 CD1 LEU A 53 9.597 5.398 -4.950 1.00 0.00 C ATOM 789 CD2 LEU A 53 7.869 6.186 -6.565 1.00 0.00 C ATOM 0 H LEU A 53 5.155 4.084 -5.016 1.00 0.00 H new ATOM 0 HA LEU A 53 7.866 3.748 -5.603 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.194 5.736 -4.542 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.337 5.444 -3.246 1.00 0.00 H new ATOM 0 HG LEU A 53 8.326 7.113 -4.677 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.357 5.953 -5.500 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.875 5.346 -3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.520 4.389 -5.355 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.635 6.739 -7.109 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.788 5.179 -6.975 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.912 6.697 -6.666 1.00 0.00 H new ATOM 801 N VAL A 54 9.088 2.653 -3.671 1.00 0.00 N ATOM 802 CA VAL A 54 9.723 1.873 -2.576 1.00 0.00 C ATOM 803 C VAL A 54 9.645 2.677 -1.278 1.00 0.00 C ATOM 804 O VAL A 54 9.313 2.157 -0.231 1.00 0.00 O ATOM 805 CB VAL A 54 11.186 1.608 -2.933 1.00 0.00 C ATOM 806 CG1 VAL A 54 11.775 0.585 -1.965 1.00 0.00 C ATOM 807 CG2 VAL A 54 11.271 1.061 -4.360 1.00 0.00 C ATOM 0 H VAL A 54 9.684 2.830 -4.480 1.00 0.00 H new ATOM 0 HA VAL A 54 9.205 0.923 -2.445 1.00 0.00 H new ATOM 0 HB VAL A 54 11.748 2.539 -2.862 1.00 0.00 H new ATOM 0 HG11 VAL A 54 12.818 0.399 -2.223 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.716 0.971 -0.947 1.00 0.00 H new ATOM 0 HG13 VAL A 54 11.213 -0.346 -2.033 1.00 0.00 H new ATOM 0 HG21 VAL A 54 12.314 0.872 -4.616 1.00 0.00 H new ATOM 0 HG22 VAL A 54 10.706 0.131 -4.427 1.00 0.00 H new ATOM 0 HG23 VAL A 54 10.854 1.790 -5.055 1.00 0.00 H new ATOM 817 N GLU A 55 9.938 3.947 -1.340 1.00 0.00 N ATOM 818 CA GLU A 55 9.871 4.787 -0.113 1.00 0.00 C ATOM 819 C GLU A 55 8.430 4.807 0.399 1.00 0.00 C ATOM 820 O GLU A 55 8.184 4.820 1.588 1.00 0.00 O ATOM 821 CB GLU A 55 10.318 6.212 -0.442 1.00 0.00 C ATOM 822 CG GLU A 55 9.761 6.621 -1.807 1.00 0.00 C ATOM 823 CD GLU A 55 9.002 7.942 -1.676 1.00 0.00 C ATOM 824 OE1 GLU A 55 9.210 8.625 -0.686 1.00 0.00 O ATOM 825 OE2 GLU A 55 8.228 8.250 -2.566 1.00 0.00 O ATOM 0 H GLU A 55 10.221 4.438 -2.188 1.00 0.00 H new ATOM 0 HA GLU A 55 10.528 4.374 0.652 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.967 6.901 0.327 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.406 6.270 -0.450 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.574 6.726 -2.526 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.097 5.845 -2.188 1.00 0.00 H new ATOM 832 N GLU A 56 7.476 4.799 -0.493 1.00 0.00 N ATOM 833 CA GLU A 56 6.053 4.808 -0.055 1.00 0.00 C ATOM 834 C GLU A 56 5.803 3.585 0.828 1.00 0.00 C ATOM 835 O GLU A 56 5.270 3.689 1.914 1.00 0.00 O ATOM 836 CB GLU A 56 5.139 4.753 -1.280 1.00 0.00 C ATOM 837 CG GLU A 56 4.360 6.065 -1.395 1.00 0.00 C ATOM 838 CD GLU A 56 4.839 6.838 -2.625 1.00 0.00 C ATOM 839 OE1 GLU A 56 5.915 7.409 -2.560 1.00 0.00 O ATOM 840 OE2 GLU A 56 4.121 6.845 -3.612 1.00 0.00 O ATOM 0 H GLU A 56 7.621 4.787 -1.503 1.00 0.00 H new ATOM 0 HA GLU A 56 5.842 5.719 0.505 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.730 4.589 -2.181 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.448 3.914 -1.194 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.292 5.860 -1.474 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.504 6.665 -0.497 1.00 0.00 H new ATOM 847 N LEU A 57 6.192 2.427 0.370 1.00 0.00 N ATOM 848 CA LEU A 57 5.987 1.199 1.185 1.00 0.00 C ATOM 849 C LEU A 57 6.607 1.407 2.567 1.00 0.00 C ATOM 850 O LEU A 57 6.036 1.043 3.576 1.00 0.00 O ATOM 851 CB LEU A 57 6.661 0.009 0.499 1.00 0.00 C ATOM 852 CG LEU A 57 6.027 -0.213 -0.875 1.00 0.00 C ATOM 853 CD1 LEU A 57 7.005 -0.977 -1.770 1.00 0.00 C ATOM 854 CD2 LEU A 57 4.742 -1.028 -0.717 1.00 0.00 C ATOM 0 H LEU A 57 6.643 2.279 -0.533 1.00 0.00 H new ATOM 0 HA LEU A 57 4.920 1.000 1.285 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.730 0.194 0.393 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.552 -0.887 1.111 1.00 0.00 H new ATOM 0 HG LEU A 57 5.795 0.751 -1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.554 -1.136 -2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.923 -0.399 -1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.236 -1.941 -1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.289 -1.187 -1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.976 -1.992 -0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.044 -0.487 -0.078 1.00 0.00 H new ATOM 866 N TYR A 58 7.772 1.997 2.622 1.00 0.00 N ATOM 867 CA TYR A 58 8.422 2.233 3.940 1.00 0.00 C ATOM 868 C TYR A 58 7.430 2.934 4.869 1.00 0.00 C ATOM 869 O TYR A 58 7.218 2.523 5.992 1.00 0.00 O ATOM 870 CB TYR A 58 9.657 3.118 3.750 1.00 0.00 C ATOM 871 CG TYR A 58 10.683 2.785 4.805 1.00 0.00 C ATOM 872 CD1 TYR A 58 10.620 3.398 6.063 1.00 0.00 C ATOM 873 CD2 TYR A 58 11.699 1.861 4.527 1.00 0.00 C ATOM 874 CE1 TYR A 58 11.572 3.089 7.042 1.00 0.00 C ATOM 875 CE2 TYR A 58 12.651 1.553 5.507 1.00 0.00 C ATOM 876 CZ TYR A 58 12.587 2.166 6.763 1.00 0.00 C ATOM 877 OH TYR A 58 13.525 1.861 7.728 1.00 0.00 O ATOM 0 H TYR A 58 8.299 2.324 1.812 1.00 0.00 H new ATOM 0 HA TYR A 58 8.724 1.281 4.376 1.00 0.00 H new ATOM 0 HB2 TYR A 58 10.078 2.964 2.757 1.00 0.00 H new ATOM 0 HB3 TYR A 58 9.378 4.169 3.818 1.00 0.00 H new ATOM 0 HD1 TYR A 58 9.836 4.110 6.278 1.00 0.00 H new ATOM 0 HD2 TYR A 58 11.748 1.387 3.558 1.00 0.00 H new ATOM 0 HE1 TYR A 58 11.523 3.562 8.012 1.00 0.00 H new ATOM 0 HE2 TYR A 58 13.435 0.842 5.293 1.00 0.00 H new ATOM 0 HH TYR A 58 14.158 1.203 7.372 1.00 0.00 H new ATOM 887 N ARG A 59 6.813 3.986 4.404 1.00 0.00 N ATOM 888 CA ARG A 59 5.829 4.709 5.256 1.00 0.00 C ATOM 889 C ARG A 59 4.613 3.812 5.489 1.00 0.00 C ATOM 890 O ARG A 59 3.915 3.936 6.475 1.00 0.00 O ATOM 891 CB ARG A 59 5.389 5.993 4.549 1.00 0.00 C ATOM 892 CG ARG A 59 4.367 6.730 5.417 1.00 0.00 C ATOM 893 CD ARG A 59 3.151 7.105 4.565 1.00 0.00 C ATOM 894 NE ARG A 59 1.937 7.157 5.428 1.00 0.00 N ATOM 895 CZ ARG A 59 1.814 8.095 6.327 1.00 0.00 C ATOM 896 NH1 ARG A 59 2.620 9.122 6.314 1.00 0.00 N ATOM 897 NH2 ARG A 59 0.885 8.007 7.239 1.00 0.00 N ATOM 0 H ARG A 59 6.948 4.375 3.471 1.00 0.00 H new ATOM 0 HA ARG A 59 6.287 4.962 6.212 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.252 6.632 4.363 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.953 5.755 3.579 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.060 6.099 6.251 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.816 7.627 5.844 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.312 8.071 4.087 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.013 6.374 3.768 1.00 0.00 H new ATOM 0 HE ARG A 59 1.202 6.459 5.316 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.346 9.191 5.601 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.524 9.855 7.017 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.255 7.205 7.249 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.789 8.740 7.942 1.00 0.00 H new ATOM 911 N PHE A 60 4.357 2.904 4.587 1.00 0.00 N ATOM 912 CA PHE A 60 3.190 1.994 4.751 1.00 0.00 C ATOM 913 C PHE A 60 3.662 0.669 5.353 1.00 0.00 C ATOM 914 O PHE A 60 2.997 -0.342 5.249 1.00 0.00 O ATOM 915 CB PHE A 60 2.548 1.733 3.387 1.00 0.00 C ATOM 916 CG PHE A 60 1.643 2.886 3.026 1.00 0.00 C ATOM 917 CD1 PHE A 60 2.192 4.116 2.646 1.00 0.00 C ATOM 918 CD2 PHE A 60 0.253 2.724 3.072 1.00 0.00 C ATOM 919 CE1 PHE A 60 1.352 5.185 2.313 1.00 0.00 C ATOM 920 CE2 PHE A 60 -0.588 3.793 2.738 1.00 0.00 C ATOM 921 CZ PHE A 60 -0.038 5.023 2.358 1.00 0.00 C ATOM 0 H PHE A 60 4.908 2.754 3.742 1.00 0.00 H new ATOM 0 HA PHE A 60 2.458 2.457 5.413 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.320 1.612 2.627 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.978 0.804 3.413 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.264 4.240 2.610 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.171 1.775 3.365 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.776 6.135 2.021 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.660 3.668 2.774 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.686 5.847 2.099 1.00 0.00 H new ATOM 931 N ARG A 61 4.807 0.665 5.980 1.00 0.00 N ATOM 932 CA ARG A 61 5.320 -0.595 6.587 1.00 0.00 C ATOM 933 C ARG A 61 4.394 -1.024 7.726 1.00 0.00 C ATOM 934 O ARG A 61 4.162 -2.197 7.942 1.00 0.00 O ATOM 935 CB ARG A 61 6.729 -0.361 7.136 1.00 0.00 C ATOM 936 CG ARG A 61 7.761 -0.857 6.120 1.00 0.00 C ATOM 937 CD ARG A 61 8.815 -1.704 6.836 1.00 0.00 C ATOM 938 NE ARG A 61 10.157 -1.078 6.664 1.00 0.00 N ATOM 939 CZ ARG A 61 11.210 -1.636 7.194 1.00 0.00 C ATOM 940 NH1 ARG A 61 11.094 -2.348 8.282 1.00 0.00 N ATOM 941 NH2 ARG A 61 12.380 -1.484 6.637 1.00 0.00 N ATOM 0 H ARG A 61 5.409 1.480 6.098 1.00 0.00 H new ATOM 0 HA ARG A 61 5.352 -1.377 5.829 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.881 0.699 7.337 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.854 -0.886 8.083 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.270 -1.446 5.345 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.235 -0.010 5.624 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.573 -1.785 7.896 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.820 -2.716 6.432 1.00 0.00 H new ATOM 0 HE ARG A 61 10.252 -0.213 6.132 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.180 -2.468 8.718 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.918 -2.784 8.696 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.472 -0.928 5.786 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.203 -1.921 7.052 1.00 0.00 H new ATOM 955 N ASP A 62 3.859 -0.082 8.454 1.00 0.00 N ATOM 956 CA ASP A 62 2.947 -0.434 9.579 1.00 0.00 C ATOM 957 C ASP A 62 1.702 -1.132 9.027 1.00 0.00 C ATOM 958 O ASP A 62 0.914 -1.690 9.765 1.00 0.00 O ATOM 959 CB ASP A 62 2.532 0.841 10.317 1.00 0.00 C ATOM 960 CG ASP A 62 1.994 0.476 11.701 1.00 0.00 C ATOM 961 OD1 ASP A 62 1.815 -0.703 11.954 1.00 0.00 O ATOM 962 OD2 ASP A 62 1.770 1.383 12.486 1.00 0.00 O ATOM 0 H ASP A 62 4.014 0.917 8.318 1.00 0.00 H new ATOM 0 HA ASP A 62 3.462 -1.102 10.269 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.385 1.513 10.412 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.770 1.372 9.747 1.00 0.00 H new ATOM 967 N ARG A 63 1.519 -1.110 7.735 1.00 0.00 N ATOM 968 CA ARG A 63 0.328 -1.775 7.138 1.00 0.00 C ATOM 969 C ARG A 63 0.796 -2.891 6.204 1.00 0.00 C ATOM 970 O ARG A 63 0.029 -3.744 5.804 1.00 0.00 O ATOM 971 CB ARG A 63 -0.483 -0.750 6.342 1.00 0.00 C ATOM 972 CG ARG A 63 -1.888 -0.635 6.936 1.00 0.00 C ATOM 973 CD ARG A 63 -2.552 0.648 6.431 1.00 0.00 C ATOM 974 NE ARG A 63 -3.240 1.329 7.563 1.00 0.00 N ATOM 975 CZ ARG A 63 -3.655 2.559 7.430 1.00 0.00 C ATOM 976 NH1 ARG A 63 -4.709 2.817 6.703 1.00 0.00 N ATOM 977 NH2 ARG A 63 -3.017 3.531 8.023 1.00 0.00 N ATOM 0 H ARG A 63 2.144 -0.659 7.067 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.295 -2.193 7.928 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.014 0.220 6.366 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.543 -1.051 5.296 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.486 -1.502 6.654 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.834 -0.625 8.025 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.804 1.310 5.995 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.269 0.414 5.644 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.387 0.834 8.443 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.207 2.057 6.240 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.034 3.778 6.599 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.194 3.329 8.591 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.342 4.492 7.919 1.00 0.00 H new ATOM 991 N LEU A 64 2.052 -2.886 5.857 1.00 0.00 N ATOM 992 CA LEU A 64 2.588 -3.935 4.949 1.00 0.00 C ATOM 993 C LEU A 64 2.388 -5.320 5.579 1.00 0.00 C ATOM 994 O LEU A 64 3.033 -5.645 6.556 1.00 0.00 O ATOM 995 CB LEU A 64 4.082 -3.693 4.748 1.00 0.00 C ATOM 996 CG LEU A 64 4.481 -4.116 3.337 1.00 0.00 C ATOM 997 CD1 LEU A 64 5.950 -3.769 3.105 1.00 0.00 C ATOM 998 CD2 LEU A 64 4.281 -5.624 3.181 1.00 0.00 C ATOM 0 H LEU A 64 2.735 -2.194 6.166 1.00 0.00 H new ATOM 0 HA LEU A 64 2.064 -3.893 3.994 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.315 -2.639 4.903 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.655 -4.257 5.484 1.00 0.00 H new ATOM 0 HG LEU A 64 3.862 -3.593 2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.240 -4.069 2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.092 -2.694 3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.568 -4.295 3.833 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.566 -5.926 2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.901 -6.150 3.907 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.233 -5.872 3.352 1.00 0.00 H new ATOM 1010 N PRO A 65 1.510 -6.102 5.001 1.00 0.00 N ATOM 1011 CA PRO A 65 1.241 -7.441 5.499 1.00 0.00 C ATOM 1012 C PRO A 65 2.558 -8.208 5.650 1.00 0.00 C ATOM 1013 O PRO A 65 3.037 -8.424 6.744 1.00 0.00 O ATOM 1014 CB PRO A 65 0.350 -8.079 4.436 1.00 0.00 C ATOM 1015 CG PRO A 65 -0.315 -6.852 3.736 1.00 0.00 C ATOM 1016 CD PRO A 65 0.729 -5.705 3.819 1.00 0.00 C ATOM 0 HA PRO A 65 0.761 -7.443 6.478 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.929 -8.677 3.733 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.394 -8.740 4.880 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.565 -7.080 2.700 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.244 -6.573 4.234 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.345 -5.646 2.922 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.258 -4.730 3.947 1.00 0.00 H new ATOM 1024 N GLU A 66 3.146 -8.612 4.557 1.00 0.00 N ATOM 1025 CA GLU A 66 4.429 -9.360 4.626 1.00 0.00 C ATOM 1026 C GLU A 66 4.829 -9.791 3.216 1.00 0.00 C ATOM 1027 O GLU A 66 5.994 -9.889 2.889 1.00 0.00 O ATOM 1028 CB GLU A 66 4.238 -10.602 5.491 1.00 0.00 C ATOM 1029 CG GLU A 66 5.586 -11.045 6.062 1.00 0.00 C ATOM 1030 CD GLU A 66 5.680 -10.629 7.531 1.00 0.00 C ATOM 1031 OE1 GLU A 66 4.953 -11.192 8.333 1.00 0.00 O ATOM 1032 OE2 GLU A 66 6.477 -9.754 7.829 1.00 0.00 O ATOM 0 H GLU A 66 2.789 -8.454 3.615 1.00 0.00 H new ATOM 0 HA GLU A 66 5.205 -8.726 5.056 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.541 -10.389 6.302 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.801 -11.406 4.899 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.694 -12.126 5.972 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.399 -10.595 5.493 1.00 0.00 H new ATOM 1039 N LYS A 67 3.866 -10.048 2.374 1.00 0.00 N ATOM 1040 CA LYS A 67 4.180 -10.484 0.981 1.00 0.00 C ATOM 1041 C LYS A 67 4.744 -9.320 0.153 1.00 0.00 C ATOM 1042 O LYS A 67 4.920 -9.436 -1.043 1.00 0.00 O ATOM 1043 CB LYS A 67 2.903 -11.002 0.316 1.00 0.00 C ATOM 1044 CG LYS A 67 3.271 -11.949 -0.828 1.00 0.00 C ATOM 1045 CD LYS A 67 2.007 -12.327 -1.604 1.00 0.00 C ATOM 1046 CE LYS A 67 1.244 -11.058 -1.987 1.00 0.00 C ATOM 1047 NZ LYS A 67 0.586 -11.253 -3.309 1.00 0.00 N ATOM 0 H LYS A 67 2.872 -9.975 2.590 1.00 0.00 H new ATOM 0 HA LYS A 67 4.931 -11.273 1.026 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.284 -11.522 1.048 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.314 -10.167 -0.064 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.990 -11.471 -1.493 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.750 -12.845 -0.433 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.272 -12.889 -2.500 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.375 -12.975 -0.997 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.497 -10.827 -1.228 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.927 -10.210 -2.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.067 -10.390 -3.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.308 -11.454 -4.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -0.078 -12.052 -3.252 1.00 0.00 H new ATOM 1061 N LEU A 68 5.031 -8.201 0.764 1.00 0.00 N ATOM 1062 CA LEU A 68 5.584 -7.056 -0.016 1.00 0.00 C ATOM 1063 C LEU A 68 6.710 -6.392 0.779 1.00 0.00 C ATOM 1064 O LEU A 68 7.230 -5.364 0.392 1.00 0.00 O ATOM 1065 CB LEU A 68 4.483 -6.023 -0.288 1.00 0.00 C ATOM 1066 CG LEU A 68 3.109 -6.696 -0.250 1.00 0.00 C ATOM 1067 CD1 LEU A 68 2.561 -6.650 1.177 1.00 0.00 C ATOM 1068 CD2 LEU A 68 2.153 -5.952 -1.185 1.00 0.00 C ATOM 0 H LEU A 68 4.908 -8.031 1.762 1.00 0.00 H new ATOM 0 HA LEU A 68 5.970 -7.429 -0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.528 -5.228 0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.642 -5.558 -1.261 1.00 0.00 H new ATOM 0 HG LEU A 68 3.202 -7.733 -0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.582 -7.129 1.206 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.243 -7.176 1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.467 -5.612 1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.174 -6.430 -1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.060 -4.916 -0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.544 -5.980 -2.202 1.00 0.00 H new ATOM 1080 N ARG A 69 7.093 -6.968 1.886 1.00 0.00 N ATOM 1081 CA ARG A 69 8.185 -6.362 2.699 1.00 0.00 C ATOM 1082 C ARG A 69 9.482 -6.356 1.889 1.00 0.00 C ATOM 1083 O ARG A 69 10.176 -5.362 1.817 1.00 0.00 O ATOM 1084 CB ARG A 69 8.386 -7.181 3.975 1.00 0.00 C ATOM 1085 CG ARG A 69 9.666 -6.726 4.677 1.00 0.00 C ATOM 1086 CD ARG A 69 9.387 -6.525 6.168 1.00 0.00 C ATOM 1087 NE ARG A 69 10.024 -7.625 6.945 1.00 0.00 N ATOM 1088 CZ ARG A 69 10.814 -7.344 7.945 1.00 0.00 C ATOM 1089 NH1 ARG A 69 11.966 -6.773 7.727 1.00 0.00 N ATOM 1090 NH2 ARG A 69 10.450 -7.636 9.165 1.00 0.00 N ATOM 0 H ARG A 69 6.698 -7.830 2.262 1.00 0.00 H new ATOM 0 HA ARG A 69 7.916 -5.339 2.962 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.530 -7.056 4.639 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.449 -8.242 3.733 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.452 -7.469 4.540 1.00 0.00 H new ATOM 0 HG3 ARG A 69 10.025 -5.797 4.235 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.777 -5.561 6.495 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.312 -6.512 6.349 1.00 0.00 H new ATOM 0 HE ARG A 69 9.843 -8.597 6.696 1.00 0.00 H new ATOM 0 HH11 ARG A 69 12.250 -6.546 6.774 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.583 -6.554 8.509 1.00 0.00 H new ATOM 0 HH21 ARG A 69 9.549 -8.083 9.335 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.067 -7.417 9.947 1.00 0.00 H new ATOM 1104 N TYR A 70 9.815 -7.460 1.277 1.00 0.00 N ATOM 1105 CA TYR A 70 11.067 -7.517 0.473 1.00 0.00 C ATOM 1106 C TYR A 70 11.068 -6.383 -0.555 1.00 0.00 C ATOM 1107 O TYR A 70 12.107 -5.917 -0.980 1.00 0.00 O ATOM 1108 CB TYR A 70 11.148 -8.861 -0.251 1.00 0.00 C ATOM 1109 CG TYR A 70 9.841 -9.135 -0.958 1.00 0.00 C ATOM 1110 CD1 TYR A 70 9.605 -8.590 -2.226 1.00 0.00 C ATOM 1111 CD2 TYR A 70 8.869 -9.934 -0.346 1.00 0.00 C ATOM 1112 CE1 TYR A 70 8.395 -8.845 -2.882 1.00 0.00 C ATOM 1113 CE2 TYR A 70 7.659 -10.190 -1.003 1.00 0.00 C ATOM 1114 CZ TYR A 70 7.422 -9.644 -2.271 1.00 0.00 C ATOM 1115 OH TYR A 70 6.230 -9.897 -2.919 1.00 0.00 O ATOM 0 H TYR A 70 9.274 -8.324 1.300 1.00 0.00 H new ATOM 0 HA TYR A 70 11.927 -7.408 1.134 1.00 0.00 H new ATOM 0 HB2 TYR A 70 11.967 -8.849 -0.970 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.361 -9.657 0.462 1.00 0.00 H new ATOM 0 HD1 TYR A 70 10.356 -7.973 -2.698 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.052 -10.353 0.632 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.212 -8.425 -3.860 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.909 -10.808 -0.532 1.00 0.00 H new ATOM 0 HH TYR A 70 5.558 -10.186 -2.267 1.00 0.00 H new ATOM 1125 N LEU A 71 9.910 -5.934 -0.956 1.00 0.00 N ATOM 1126 CA LEU A 71 9.843 -4.830 -1.953 1.00 0.00 C ATOM 1127 C LEU A 71 10.045 -3.492 -1.238 1.00 0.00 C ATOM 1128 O LEU A 71 10.779 -2.638 -1.693 1.00 0.00 O ATOM 1129 CB LEU A 71 8.474 -4.845 -2.638 1.00 0.00 C ATOM 1130 CG LEU A 71 8.593 -5.515 -4.007 1.00 0.00 C ATOM 1131 CD1 LEU A 71 7.315 -6.303 -4.302 1.00 0.00 C ATOM 1132 CD2 LEU A 71 8.784 -4.441 -5.078 1.00 0.00 C ATOM 0 H LEU A 71 9.007 -6.285 -0.636 1.00 0.00 H new ATOM 0 HA LEU A 71 10.623 -4.964 -2.703 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.753 -5.381 -2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.102 -3.827 -2.751 1.00 0.00 H new ATOM 0 HG LEU A 71 9.447 -6.193 -4.009 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.399 -6.781 -5.278 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.172 -7.065 -3.536 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.461 -5.625 -4.303 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.869 -4.914 -6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.927 -3.767 -5.074 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.692 -3.875 -4.868 1.00 0.00 H new ATOM 1144 N ALA A 72 9.405 -3.308 -0.116 1.00 0.00 N ATOM 1145 CA ALA A 72 9.565 -2.031 0.633 1.00 0.00 C ATOM 1146 C ALA A 72 10.982 -1.953 1.206 1.00 0.00 C ATOM 1147 O ALA A 72 11.388 -0.945 1.748 1.00 0.00 O ATOM 1148 CB ALA A 72 8.547 -1.980 1.774 1.00 0.00 C ATOM 0 H ALA A 72 8.778 -3.988 0.314 1.00 0.00 H new ATOM 0 HA ALA A 72 9.398 -1.189 -0.039 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.663 -1.046 2.323 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.538 -2.038 1.365 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.714 -2.820 2.448 1.00 0.00 H new ATOM 1154 N ASP A 73 11.738 -3.012 1.091 1.00 0.00 N ATOM 1155 CA ASP A 73 13.128 -2.999 1.628 1.00 0.00 C ATOM 1156 C ASP A 73 14.093 -2.534 0.536 1.00 0.00 C ATOM 1157 O ASP A 73 15.149 -2.001 0.813 1.00 0.00 O ATOM 1158 CB ASP A 73 13.513 -4.411 2.076 1.00 0.00 C ATOM 1159 CG ASP A 73 13.201 -4.578 3.565 1.00 0.00 C ATOM 1160 OD1 ASP A 73 13.332 -3.607 4.290 1.00 0.00 O ATOM 1161 OD2 ASP A 73 12.835 -5.676 3.953 1.00 0.00 O ATOM 0 H ASP A 73 11.452 -3.885 0.648 1.00 0.00 H new ATOM 0 HA ASP A 73 13.183 -2.318 2.477 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.964 -5.151 1.494 1.00 0.00 H new ATOM 0 HB3 ASP A 73 14.574 -4.585 1.894 1.00 0.00 H new ATOM 1166 N ALA A 74 13.740 -2.734 -0.704 1.00 0.00 N ATOM 1167 CA ALA A 74 14.638 -2.305 -1.813 1.00 0.00 C ATOM 1168 C ALA A 74 14.901 -0.800 -1.708 1.00 0.00 C ATOM 1169 O ALA A 74 14.188 -0.095 -1.021 1.00 0.00 O ATOM 1170 CB ALA A 74 13.969 -2.610 -3.155 1.00 0.00 C ATOM 0 H ALA A 74 12.869 -3.176 -0.997 1.00 0.00 H new ATOM 0 HA ALA A 74 15.583 -2.844 -1.743 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.624 -2.297 -3.968 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.781 -3.681 -3.233 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.025 -2.070 -3.222 1.00 0.00 H new ATOM 1176 N PRO A 75 15.918 -0.351 -2.400 1.00 0.00 N ATOM 1177 CA PRO A 75 16.286 1.057 -2.403 1.00 0.00 C ATOM 1178 C PRO A 75 15.059 1.916 -2.728 1.00 0.00 C ATOM 1179 O PRO A 75 14.127 1.464 -3.363 1.00 0.00 O ATOM 1180 CB PRO A 75 17.335 1.176 -3.504 1.00 0.00 C ATOM 1181 CG PRO A 75 17.934 -0.263 -3.592 1.00 0.00 C ATOM 1182 CD PRO A 75 16.770 -1.225 -3.222 1.00 0.00 C ATOM 0 HA PRO A 75 16.664 1.397 -1.439 1.00 0.00 H new ATOM 0 HB2 PRO A 75 16.891 1.485 -4.450 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.097 1.914 -3.254 1.00 0.00 H new ATOM 0 HG2 PRO A 75 18.310 -0.470 -4.594 1.00 0.00 H new ATOM 0 HG3 PRO A 75 18.773 -0.381 -2.906 1.00 0.00 H new ATOM 0 HD2 PRO A 75 16.248 -1.595 -4.104 1.00 0.00 H new ATOM 0 HD3 PRO A 75 17.118 -2.097 -2.668 1.00 0.00 H new ATOM 1190 N GLN A 76 15.049 3.147 -2.298 1.00 0.00 N ATOM 1191 CA GLN A 76 13.877 4.022 -2.584 1.00 0.00 C ATOM 1192 C GLN A 76 14.355 5.346 -3.180 1.00 0.00 C ATOM 1193 O GLN A 76 13.763 6.384 -2.963 1.00 0.00 O ATOM 1194 CB GLN A 76 13.112 4.292 -1.288 1.00 0.00 C ATOM 1195 CG GLN A 76 13.161 3.050 -0.396 1.00 0.00 C ATOM 1196 CD GLN A 76 14.062 3.322 0.810 1.00 0.00 C ATOM 1197 OE1 GLN A 76 14.574 4.413 0.967 1.00 0.00 O ATOM 1198 NE2 GLN A 76 14.278 2.369 1.676 1.00 0.00 N ATOM 0 H GLN A 76 15.799 3.584 -1.763 1.00 0.00 H new ATOM 0 HA GLN A 76 13.220 3.522 -3.296 1.00 0.00 H new ATOM 0 HB2 GLN A 76 13.548 5.144 -0.767 1.00 0.00 H new ATOM 0 HB3 GLN A 76 12.077 4.551 -1.512 1.00 0.00 H new ATOM 0 HG2 GLN A 76 12.157 2.790 -0.062 1.00 0.00 H new ATOM 0 HG3 GLN A 76 13.539 2.198 -0.961 1.00 0.00 H new ATOM 0 HE21 GLN A 76 13.848 1.453 1.544 1.00 0.00 H new ATOM 0 HE22 GLN A 76 14.876 2.540 2.484 1.00 0.00 H new ATOM 1207 N GLN A 77 15.410 5.317 -3.945 1.00 0.00 N ATOM 1208 CA GLN A 77 15.912 6.574 -4.564 1.00 0.00 C ATOM 1209 C GLN A 77 17.353 6.383 -5.045 1.00 0.00 C ATOM 1210 O GLN A 77 17.834 7.129 -5.868 1.00 0.00 O ATOM 1211 CB GLN A 77 15.885 7.711 -3.537 1.00 0.00 C ATOM 1212 CG GLN A 77 16.237 7.162 -2.154 1.00 0.00 C ATOM 1213 CD GLN A 77 16.994 8.227 -1.359 1.00 0.00 C ATOM 1214 OE1 GLN A 77 18.057 8.659 -1.758 1.00 0.00 O ATOM 1215 NE2 GLN A 77 16.487 8.672 -0.242 1.00 0.00 N ATOM 0 H GLN A 77 15.946 4.478 -4.168 1.00 0.00 H new ATOM 0 HA GLN A 77 15.270 6.823 -5.409 1.00 0.00 H new ATOM 0 HB2 GLN A 77 16.594 8.489 -3.822 1.00 0.00 H new ATOM 0 HB3 GLN A 77 14.898 8.172 -3.516 1.00 0.00 H new ATOM 0 HG2 GLN A 77 15.329 6.874 -1.624 1.00 0.00 H new ATOM 0 HG3 GLN A 77 16.847 6.264 -2.252 1.00 0.00 H new ATOM 0 HE21 GLN A 77 15.594 8.309 0.093 1.00 0.00 H new ATOM 0 HE22 GLN A 77 16.983 9.382 0.296 1.00 0.00 H new ATOM 1224 N ASP A 78 18.049 5.402 -4.529 1.00 0.00 N ATOM 1225 CA ASP A 78 19.463 5.180 -4.955 1.00 0.00 C ATOM 1226 C ASP A 78 20.376 6.168 -4.217 1.00 0.00 C ATOM 1227 O ASP A 78 19.925 7.198 -3.757 1.00 0.00 O ATOM 1228 CB ASP A 78 19.587 5.400 -6.465 1.00 0.00 C ATOM 1229 CG ASP A 78 20.380 4.250 -7.086 1.00 0.00 C ATOM 1230 OD1 ASP A 78 20.299 3.151 -6.563 1.00 0.00 O ATOM 1231 OD2 ASP A 78 21.057 4.490 -8.071 1.00 0.00 O ATOM 0 H ASP A 78 17.699 4.746 -3.831 1.00 0.00 H new ATOM 0 HA ASP A 78 19.758 4.159 -4.715 1.00 0.00 H new ATOM 0 HB2 ASP A 78 18.597 5.458 -6.917 1.00 0.00 H new ATOM 0 HB3 ASP A 78 20.085 6.349 -6.665 1.00 0.00 H new ATOM 1236 N PRO A 79 21.638 5.821 -4.125 1.00 0.00 N ATOM 1237 CA PRO A 79 22.628 6.654 -3.450 1.00 0.00 C ATOM 1238 C PRO A 79 22.614 8.083 -4.008 1.00 0.00 C ATOM 1239 O PRO A 79 23.154 8.994 -3.412 1.00 0.00 O ATOM 1240 CB PRO A 79 23.962 5.979 -3.748 1.00 0.00 C ATOM 1241 CG PRO A 79 23.563 4.495 -4.023 1.00 0.00 C ATOM 1242 CD PRO A 79 22.160 4.564 -4.685 1.00 0.00 C ATOM 0 HA PRO A 79 22.432 6.740 -2.381 1.00 0.00 H new ATOM 0 HB2 PRO A 79 24.456 6.428 -4.609 1.00 0.00 H new ATOM 0 HB3 PRO A 79 24.650 6.061 -2.907 1.00 0.00 H new ATOM 0 HG2 PRO A 79 24.284 4.009 -4.680 1.00 0.00 H new ATOM 0 HG3 PRO A 79 23.534 3.918 -3.099 1.00 0.00 H new ATOM 0 HD2 PRO A 79 22.220 4.592 -5.773 1.00 0.00 H new ATOM 0 HD3 PRO A 79 21.539 3.708 -4.422 1.00 0.00 H new ATOM 1250 N GLU A 80 22.007 8.293 -5.146 1.00 0.00 N ATOM 1251 CA GLU A 80 21.974 9.665 -5.727 1.00 0.00 C ATOM 1252 C GLU A 80 20.748 10.413 -5.199 1.00 0.00 C ATOM 1253 O GLU A 80 20.802 11.594 -4.924 1.00 0.00 O ATOM 1254 CB GLU A 80 21.898 9.572 -7.252 1.00 0.00 C ATOM 1255 CG GLU A 80 22.064 10.967 -7.859 1.00 0.00 C ATOM 1256 CD GLU A 80 21.168 11.098 -9.092 1.00 0.00 C ATOM 1257 OE1 GLU A 80 20.021 10.688 -9.013 1.00 0.00 O ATOM 1258 OE2 GLU A 80 21.644 11.606 -10.094 1.00 0.00 O ATOM 0 H GLU A 80 21.534 7.576 -5.696 1.00 0.00 H new ATOM 0 HA GLU A 80 22.878 10.202 -5.441 1.00 0.00 H new ATOM 0 HB2 GLU A 80 22.677 8.907 -7.625 1.00 0.00 H new ATOM 0 HB3 GLU A 80 20.942 9.144 -7.553 1.00 0.00 H new ATOM 0 HG2 GLU A 80 21.803 11.728 -7.124 1.00 0.00 H new ATOM 0 HG3 GLU A 80 23.105 11.134 -8.134 1.00 0.00 H new ATOM 1265 N GLY A 81 19.646 9.733 -5.048 1.00 0.00 N ATOM 1266 CA GLY A 81 18.421 10.407 -4.529 1.00 0.00 C ATOM 1267 C GLY A 81 17.254 10.171 -5.486 1.00 0.00 C ATOM 1268 O GLY A 81 16.117 10.080 -5.068 1.00 0.00 O ATOM 0 H GLY A 81 19.540 8.741 -5.261 1.00 0.00 H new ATOM 0 HA2 GLY A 81 18.175 10.022 -3.539 1.00 0.00 H new ATOM 0 HA3 GLY A 81 18.602 11.476 -4.419 1.00 0.00 H new ATOM 1272 N ASN A 82 17.519 10.071 -6.763 1.00 0.00 N ATOM 1273 CA ASN A 82 16.410 9.835 -7.733 1.00 0.00 C ATOM 1274 C ASN A 82 15.471 8.776 -7.159 1.00 0.00 C ATOM 1275 O ASN A 82 15.722 7.594 -7.275 1.00 0.00 O ATOM 1276 CB ASN A 82 16.972 9.346 -9.075 1.00 0.00 C ATOM 1277 CG ASN A 82 18.286 8.588 -8.862 1.00 0.00 C ATOM 1278 OD1 ASN A 82 18.595 8.171 -7.766 1.00 0.00 O ATOM 1279 ND2 ASN A 82 19.079 8.387 -9.878 1.00 0.00 N ATOM 0 H ASN A 82 18.450 10.142 -7.174 1.00 0.00 H new ATOM 0 HA ASN A 82 15.870 10.767 -7.899 1.00 0.00 H new ATOM 0 HB2 ASN A 82 16.246 8.697 -9.565 1.00 0.00 H new ATOM 0 HB3 ASN A 82 17.139 10.195 -9.737 1.00 0.00 H new ATOM 0 HD21 ASN A 82 19.955 7.881 -9.749 1.00 0.00 H new ATOM 0 HD22 ASN A 82 18.823 8.736 -10.802 1.00 0.00 H new ATOM 1286 N LYS A 83 14.401 9.200 -6.528 1.00 0.00 N ATOM 1287 CA LYS A 83 13.437 8.233 -5.920 1.00 0.00 C ATOM 1288 C LYS A 83 13.349 6.975 -6.763 1.00 0.00 C ATOM 1289 O LYS A 83 13.447 7.013 -7.973 1.00 0.00 O ATOM 1290 CB LYS A 83 12.058 8.868 -5.823 1.00 0.00 C ATOM 1291 CG LYS A 83 12.017 9.774 -4.596 1.00 0.00 C ATOM 1292 CD LYS A 83 10.658 9.643 -3.911 1.00 0.00 C ATOM 1293 CE LYS A 83 9.899 10.967 -4.020 1.00 0.00 C ATOM 1294 NZ LYS A 83 8.435 10.695 -4.088 1.00 0.00 N ATOM 0 H LYS A 83 14.154 10.182 -6.408 1.00 0.00 H new ATOM 0 HA LYS A 83 13.792 7.972 -4.923 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.844 9.443 -6.724 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.292 8.096 -5.748 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.813 9.502 -3.903 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.190 10.809 -4.889 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.081 8.842 -4.374 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.792 9.374 -2.863 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.123 11.599 -3.161 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.221 11.511 -4.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.915 11.482 -3.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.146 10.599 -5.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 8.222 9.814 -3.579 1.00 0.00 H new ATOM 1308 N THR A 84 13.172 5.858 -6.133 1.00 0.00 N ATOM 1309 CA THR A 84 13.088 4.590 -6.895 1.00 0.00 C ATOM 1310 C THR A 84 11.780 3.888 -6.567 1.00 0.00 C ATOM 1311 O THR A 84 11.502 3.567 -5.429 1.00 0.00 O ATOM 1312 CB THR A 84 14.265 3.697 -6.515 1.00 0.00 C ATOM 1313 OG1 THR A 84 15.385 4.507 -6.190 1.00 0.00 O ATOM 1314 CG2 THR A 84 14.621 2.803 -7.691 1.00 0.00 C ATOM 0 H THR A 84 13.081 5.766 -5.121 1.00 0.00 H new ATOM 0 HA THR A 84 13.123 4.799 -7.964 1.00 0.00 H new ATOM 0 HB THR A 84 13.993 3.083 -5.656 1.00 0.00 H new ATOM 0 HG1 THR A 84 16.181 3.943 -6.100 1.00 0.00 H new ATOM 0 HG21 THR A 84 15.462 2.164 -7.421 1.00 0.00 H new ATOM 0 HG22 THR A 84 13.763 2.183 -7.950 1.00 0.00 H new ATOM 0 HG23 THR A 84 14.894 3.420 -8.547 1.00 0.00 H new ATOM 1322 N MET A 85 10.966 3.654 -7.556 1.00 0.00 N ATOM 1323 CA MET A 85 9.669 2.977 -7.288 1.00 0.00 C ATOM 1324 C MET A 85 9.774 1.499 -7.666 1.00 0.00 C ATOM 1325 O MET A 85 10.770 1.051 -8.196 1.00 0.00 O ATOM 1326 CB MET A 85 8.542 3.668 -8.078 1.00 0.00 C ATOM 1327 CG MET A 85 8.389 3.047 -9.468 1.00 0.00 C ATOM 1328 SD MET A 85 6.854 3.629 -10.224 1.00 0.00 S ATOM 1329 CE MET A 85 5.996 2.036 -10.188 1.00 0.00 C ATOM 0 H MET A 85 11.140 3.900 -8.531 1.00 0.00 H new ATOM 0 HA MET A 85 9.433 3.048 -6.226 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.603 3.581 -7.531 1.00 0.00 H new ATOM 0 HB3 MET A 85 8.758 4.732 -8.173 1.00 0.00 H new ATOM 0 HG2 MET A 85 9.240 3.316 -10.094 1.00 0.00 H new ATOM 0 HG3 MET A 85 8.380 1.960 -9.393 1.00 0.00 H new ATOM 0 HE1 MET A 85 4.923 2.198 -10.289 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.348 1.415 -11.011 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.200 1.534 -9.242 1.00 0.00 H new ATOM 1339 N VAL A 86 8.753 0.738 -7.394 1.00 0.00 N ATOM 1340 CA VAL A 86 8.800 -0.707 -7.736 1.00 0.00 C ATOM 1341 C VAL A 86 8.367 -0.903 -9.193 1.00 0.00 C ATOM 1342 O VAL A 86 7.648 -0.102 -9.754 1.00 0.00 O ATOM 1343 CB VAL A 86 7.858 -1.478 -6.808 1.00 0.00 C ATOM 1344 CG1 VAL A 86 7.620 -2.886 -7.362 1.00 0.00 C ATOM 1345 CG2 VAL A 86 8.492 -1.580 -5.418 1.00 0.00 C ATOM 0 H VAL A 86 7.890 1.054 -6.951 1.00 0.00 H new ATOM 0 HA VAL A 86 9.817 -1.080 -7.611 1.00 0.00 H new ATOM 0 HB VAL A 86 6.905 -0.952 -6.742 1.00 0.00 H new ATOM 0 HG11 VAL A 86 6.949 -3.430 -6.697 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.171 -2.816 -8.353 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.570 -3.415 -7.431 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.825 -2.128 -4.753 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.444 -2.105 -5.490 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.659 -0.579 -5.020 1.00 0.00 H new ATOM 1355 N ARG A 87 8.803 -1.969 -9.802 1.00 0.00 N ATOM 1356 CA ARG A 87 8.421 -2.243 -11.216 1.00 0.00 C ATOM 1357 C ARG A 87 8.193 -3.747 -11.373 1.00 0.00 C ATOM 1358 O ARG A 87 8.231 -4.489 -10.411 1.00 0.00 O ATOM 1359 CB ARG A 87 9.544 -1.801 -12.157 1.00 0.00 C ATOM 1360 CG ARG A 87 10.062 -0.430 -11.724 1.00 0.00 C ATOM 1361 CD ARG A 87 9.091 0.648 -12.206 1.00 0.00 C ATOM 1362 NE ARG A 87 9.854 1.866 -12.599 1.00 0.00 N ATOM 1363 CZ ARG A 87 9.523 2.524 -13.676 1.00 0.00 C ATOM 1364 NH1 ARG A 87 8.264 2.692 -13.978 1.00 0.00 N ATOM 1365 NH2 ARG A 87 10.451 3.013 -14.452 1.00 0.00 N ATOM 0 H ARG A 87 9.413 -2.668 -9.378 1.00 0.00 H new ATOM 0 HA ARG A 87 7.514 -1.692 -11.465 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.355 -2.530 -12.140 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.177 -1.756 -13.182 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.159 -0.390 -10.639 1.00 0.00 H new ATOM 0 HG3 ARG A 87 11.054 -0.255 -12.139 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.513 0.279 -13.053 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.380 0.891 -11.417 1.00 0.00 H new ATOM 0 HE ARG A 87 10.635 2.185 -12.026 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.539 2.309 -13.372 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.006 3.206 -14.820 1.00 0.00 H new ATOM 0 HH21 ARG A 87 11.435 2.881 -14.217 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.193 3.527 -15.294 1.00 0.00 H new ATOM 1379 N PHE A 88 7.966 -4.212 -12.570 1.00 0.00 N ATOM 1380 CA PHE A 88 7.749 -5.673 -12.758 1.00 0.00 C ATOM 1381 C PHE A 88 8.353 -6.122 -14.088 1.00 0.00 C ATOM 1382 O PHE A 88 8.294 -5.422 -15.079 1.00 0.00 O ATOM 1383 CB PHE A 88 6.251 -5.982 -12.756 1.00 0.00 C ATOM 1384 CG PHE A 88 6.054 -7.474 -12.887 1.00 0.00 C ATOM 1385 CD1 PHE A 88 6.199 -8.094 -14.134 1.00 0.00 C ATOM 1386 CD2 PHE A 88 5.727 -8.237 -11.759 1.00 0.00 C ATOM 1387 CE1 PHE A 88 6.017 -9.477 -14.253 1.00 0.00 C ATOM 1388 CE2 PHE A 88 5.546 -9.620 -11.879 1.00 0.00 C ATOM 1389 CZ PHE A 88 5.691 -10.239 -13.126 1.00 0.00 C ATOM 0 H PHE A 88 7.922 -3.649 -13.419 1.00 0.00 H new ATOM 0 HA PHE A 88 8.232 -6.208 -11.940 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.794 -5.622 -11.834 1.00 0.00 H new ATOM 0 HB3 PHE A 88 5.759 -5.464 -13.579 1.00 0.00 H new ATOM 0 HD1 PHE A 88 6.451 -7.506 -15.004 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.615 -7.759 -10.797 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.128 -9.956 -15.215 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.295 -10.209 -11.010 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.551 -11.306 -13.218 1.00 0.00 H new ATOM 1399 N SER A 89 8.924 -7.294 -14.115 1.00 0.00 N ATOM 1400 CA SER A 89 9.525 -7.803 -15.377 1.00 0.00 C ATOM 1401 C SER A 89 8.857 -9.129 -15.744 1.00 0.00 C ATOM 1402 O SER A 89 8.675 -9.995 -14.910 1.00 0.00 O ATOM 1403 CB SER A 89 11.025 -8.025 -15.177 1.00 0.00 C ATOM 1404 OG SER A 89 11.666 -6.767 -15.007 1.00 0.00 O ATOM 0 H SER A 89 9.000 -7.922 -13.315 1.00 0.00 H new ATOM 0 HA SER A 89 9.374 -7.078 -16.177 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.198 -8.656 -14.305 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.445 -8.547 -16.037 1.00 0.00 H new ATOM 0 HG SER A 89 11.029 -6.123 -14.634 1.00 0.00 H new ATOM 1410 N ARG A 90 8.488 -9.296 -16.984 1.00 0.00 N ATOM 1411 CA ARG A 90 7.829 -10.566 -17.398 1.00 0.00 C ATOM 1412 C ARG A 90 8.896 -11.570 -17.830 1.00 0.00 C ATOM 1413 O ARG A 90 8.640 -12.751 -17.949 1.00 0.00 O ATOM 1414 CB ARG A 90 6.879 -10.294 -18.565 1.00 0.00 C ATOM 1415 CG ARG A 90 6.153 -8.967 -18.335 1.00 0.00 C ATOM 1416 CD ARG A 90 4.754 -9.037 -18.950 1.00 0.00 C ATOM 1417 NE ARG A 90 4.588 -7.930 -19.933 1.00 0.00 N ATOM 1418 CZ ARG A 90 3.711 -6.989 -19.715 1.00 0.00 C ATOM 1419 NH1 ARG A 90 3.398 -6.660 -18.491 1.00 0.00 N ATOM 1420 NH2 ARG A 90 3.147 -6.377 -20.719 1.00 0.00 N ATOM 0 H ARG A 90 8.614 -8.609 -17.727 1.00 0.00 H new ATOM 0 HA ARG A 90 7.262 -10.973 -16.561 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.437 -10.258 -19.501 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.156 -11.105 -18.656 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.082 -8.759 -17.267 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.718 -8.149 -18.782 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.609 -9.999 -19.442 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.997 -8.961 -18.169 1.00 0.00 H new ATOM 0 HE ARG A 90 5.160 -7.908 -20.777 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.839 -7.139 -17.706 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.712 -5.924 -18.320 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.391 -6.634 -21.675 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.461 -5.641 -20.548 1.00 0.00 H new ATOM 1434 N LYS A 91 10.095 -11.110 -18.060 1.00 0.00 N ATOM 1435 CA LYS A 91 11.179 -12.041 -18.476 1.00 0.00 C ATOM 1436 C LYS A 91 11.405 -13.072 -17.370 1.00 0.00 C ATOM 1437 O LYS A 91 11.931 -14.142 -17.602 1.00 0.00 O ATOM 1438 CB LYS A 91 12.469 -11.253 -18.712 1.00 0.00 C ATOM 1439 CG LYS A 91 12.441 -10.635 -20.112 1.00 0.00 C ATOM 1440 CD LYS A 91 11.472 -9.452 -20.131 1.00 0.00 C ATOM 1441 CE LYS A 91 11.857 -8.458 -19.034 1.00 0.00 C ATOM 1442 NZ LYS A 91 11.932 -7.086 -19.610 1.00 0.00 N ATOM 0 H LYS A 91 10.370 -10.131 -17.978 1.00 0.00 H new ATOM 0 HA LYS A 91 10.894 -12.548 -19.398 1.00 0.00 H new ATOM 0 HB2 LYS A 91 12.573 -10.471 -17.960 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.333 -11.910 -18.610 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.440 -10.304 -20.395 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.134 -11.382 -20.844 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.498 -8.963 -21.105 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.451 -9.802 -19.977 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.123 -8.486 -18.229 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.818 -8.734 -18.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.194 -6.410 -18.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.648 -7.065 -20.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.006 -6.824 -20.005 1.00 0.00 H new ATOM 1456 N THR A 92 11.009 -12.757 -16.166 1.00 0.00 N ATOM 1457 CA THR A 92 11.199 -13.720 -15.045 1.00 0.00 C ATOM 1458 C THR A 92 10.090 -13.526 -14.010 1.00 0.00 C ATOM 1459 O THR A 92 10.185 -13.992 -12.892 1.00 0.00 O ATOM 1460 CB THR A 92 12.559 -13.474 -14.387 1.00 0.00 C ATOM 1461 OG1 THR A 92 12.841 -12.081 -14.396 1.00 0.00 O ATOM 1462 CG2 THR A 92 13.646 -14.221 -15.160 1.00 0.00 C ATOM 0 H THR A 92 10.563 -11.876 -15.911 1.00 0.00 H new ATOM 0 HA THR A 92 11.160 -14.738 -15.431 1.00 0.00 H new ATOM 0 HB THR A 92 12.536 -13.835 -13.359 1.00 0.00 H new ATOM 0 HG1 THR A 92 12.837 -11.740 -13.477 1.00 0.00 H new ATOM 0 HG21 THR A 92 14.613 -14.044 -14.690 1.00 0.00 H new ATOM 0 HG22 THR A 92 13.429 -15.289 -15.153 1.00 0.00 H new ATOM 0 HG23 THR A 92 13.672 -13.863 -16.189 1.00 0.00 H new ATOM 1470 N LYS A 93 9.038 -12.842 -14.371 1.00 0.00 N ATOM 1471 CA LYS A 93 7.925 -12.618 -13.407 1.00 0.00 C ATOM 1472 C LYS A 93 8.502 -12.253 -12.038 1.00 0.00 C ATOM 1473 O LYS A 93 8.384 -12.999 -11.087 1.00 0.00 O ATOM 1474 CB LYS A 93 7.090 -13.895 -13.286 1.00 0.00 C ATOM 1475 CG LYS A 93 6.098 -13.968 -14.448 1.00 0.00 C ATOM 1476 CD LYS A 93 5.194 -15.190 -14.272 1.00 0.00 C ATOM 1477 CE LYS A 93 5.622 -16.287 -15.249 1.00 0.00 C ATOM 1478 NZ LYS A 93 5.656 -17.598 -14.541 1.00 0.00 N ATOM 0 H LYS A 93 8.902 -12.428 -15.293 1.00 0.00 H new ATOM 0 HA LYS A 93 7.294 -11.804 -13.763 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.740 -14.770 -13.294 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.555 -13.904 -12.336 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.496 -13.060 -14.484 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.635 -14.033 -15.395 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.256 -15.557 -13.247 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.154 -14.915 -14.450 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.928 -16.333 -16.088 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.605 -16.059 -15.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 5.947 -18.344 -15.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.335 -17.550 -13.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.710 -17.816 -14.169 1.00 0.00 H new ATOM 1492 N GLN A 94 9.129 -11.113 -11.931 1.00 0.00 N ATOM 1493 CA GLN A 94 9.714 -10.710 -10.620 1.00 0.00 C ATOM 1494 C GLN A 94 9.477 -9.216 -10.387 1.00 0.00 C ATOM 1495 O GLN A 94 8.792 -8.560 -11.147 1.00 0.00 O ATOM 1496 CB GLN A 94 11.218 -10.991 -10.625 1.00 0.00 C ATOM 1497 CG GLN A 94 11.456 -12.501 -10.553 1.00 0.00 C ATOM 1498 CD GLN A 94 12.814 -12.833 -11.176 1.00 0.00 C ATOM 1499 OE1 GLN A 94 13.377 -12.034 -11.897 1.00 0.00 O ATOM 1500 NE2 GLN A 94 13.366 -13.990 -10.926 1.00 0.00 N ATOM 0 H GLN A 94 9.261 -10.446 -12.691 1.00 0.00 H new ATOM 0 HA GLN A 94 9.238 -11.280 -9.822 1.00 0.00 H new ATOM 0 HB2 GLN A 94 11.672 -10.583 -11.528 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.694 -10.496 -9.778 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.428 -12.835 -9.516 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.663 -13.031 -11.080 1.00 0.00 H new ATOM 0 HE21 GLN A 94 12.893 -14.661 -10.320 1.00 0.00 H new ATOM 0 HE22 GLN A 94 14.270 -14.223 -11.336 1.00 0.00 H new ATOM 1509 N GLN A 95 10.037 -8.674 -9.340 1.00 0.00 N ATOM 1510 CA GLN A 95 9.844 -7.223 -9.058 1.00 0.00 C ATOM 1511 C GLN A 95 11.190 -6.501 -9.123 1.00 0.00 C ATOM 1512 O GLN A 95 12.161 -6.919 -8.522 1.00 0.00 O ATOM 1513 CB GLN A 95 9.242 -7.047 -7.661 1.00 0.00 C ATOM 1514 CG GLN A 95 8.123 -6.006 -7.716 1.00 0.00 C ATOM 1515 CD GLN A 95 6.956 -6.553 -8.541 1.00 0.00 C ATOM 1516 OE1 GLN A 95 7.117 -7.493 -9.294 1.00 0.00 O ATOM 1517 NE2 GLN A 95 5.781 -5.998 -8.430 1.00 0.00 N ATOM 0 H GLN A 95 10.620 -9.173 -8.668 1.00 0.00 H new ATOM 0 HA GLN A 95 9.169 -6.801 -9.803 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.851 -7.998 -7.299 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.013 -6.731 -6.958 1.00 0.00 H new ATOM 0 HG2 GLN A 95 7.787 -5.764 -6.708 1.00 0.00 H new ATOM 0 HG3 GLN A 95 8.493 -5.082 -8.159 1.00 0.00 H new ATOM 0 HE21 GLN A 95 5.647 -5.209 -7.797 1.00 0.00 H new ATOM 0 HE22 GLN A 95 4.996 -6.353 -8.976 1.00 0.00 H new ATOM 1526 N TYR A 96 11.255 -5.413 -9.841 1.00 0.00 N ATOM 1527 CA TYR A 96 12.535 -4.657 -9.939 1.00 0.00 C ATOM 1528 C TYR A 96 12.246 -3.164 -9.743 1.00 0.00 C ATOM 1529 O TYR A 96 11.310 -2.632 -10.296 1.00 0.00 O ATOM 1530 CB TYR A 96 13.170 -4.897 -11.315 1.00 0.00 C ATOM 1531 CG TYR A 96 12.472 -4.062 -12.365 1.00 0.00 C ATOM 1532 CD1 TYR A 96 12.846 -2.727 -12.558 1.00 0.00 C ATOM 1533 CD2 TYR A 96 11.457 -4.624 -13.147 1.00 0.00 C ATOM 1534 CE1 TYR A 96 12.205 -1.954 -13.532 1.00 0.00 C ATOM 1535 CE2 TYR A 96 10.816 -3.852 -14.122 1.00 0.00 C ATOM 1536 CZ TYR A 96 11.191 -2.516 -14.315 1.00 0.00 C ATOM 1537 OH TYR A 96 10.558 -1.754 -15.277 1.00 0.00 O ATOM 0 H TYR A 96 10.475 -5.015 -10.365 1.00 0.00 H new ATOM 0 HA TYR A 96 13.229 -4.996 -9.170 1.00 0.00 H new ATOM 0 HB2 TYR A 96 14.230 -4.644 -11.284 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.102 -5.953 -11.576 1.00 0.00 H new ATOM 0 HD1 TYR A 96 13.630 -2.293 -11.955 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.168 -5.654 -12.998 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.493 -0.924 -13.679 1.00 0.00 H new ATOM 0 HE2 TYR A 96 10.032 -4.286 -14.726 1.00 0.00 H new ATOM 0 HH TYR A 96 9.880 -2.297 -15.731 1.00 0.00 H new ATOM 1547 N VAL A 97 13.034 -2.485 -8.958 1.00 0.00 N ATOM 1548 CA VAL A 97 12.781 -1.029 -8.734 1.00 0.00 C ATOM 1549 C VAL A 97 13.516 -0.212 -9.792 1.00 0.00 C ATOM 1550 O VAL A 97 14.401 -0.698 -10.463 1.00 0.00 O ATOM 1551 CB VAL A 97 13.288 -0.622 -7.349 1.00 0.00 C ATOM 1552 CG1 VAL A 97 12.273 -1.037 -6.288 1.00 0.00 C ATOM 1553 CG2 VAL A 97 14.627 -1.309 -7.071 1.00 0.00 C ATOM 0 H VAL A 97 13.839 -2.870 -8.463 1.00 0.00 H new ATOM 0 HA VAL A 97 11.709 -0.841 -8.801 1.00 0.00 H new ATOM 0 HB VAL A 97 13.421 0.459 -7.318 1.00 0.00 H new ATOM 0 HG11 VAL A 97 12.637 -0.746 -5.303 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.321 -0.544 -6.483 1.00 0.00 H new ATOM 0 HG13 VAL A 97 12.135 -2.118 -6.319 1.00 0.00 H new ATOM 0 HG21 VAL A 97 14.987 -1.018 -6.084 1.00 0.00 H new ATOM 0 HG22 VAL A 97 14.495 -2.390 -7.105 1.00 0.00 H new ATOM 0 HG23 VAL A 97 15.354 -1.008 -7.826 1.00 0.00 H new ATOM 1563 N SER A 98 13.153 1.030 -9.943 1.00 0.00 N ATOM 1564 CA SER A 98 13.829 1.889 -10.951 1.00 0.00 C ATOM 1565 C SER A 98 13.787 3.348 -10.489 1.00 0.00 C ATOM 1566 O SER A 98 12.730 3.905 -10.259 1.00 0.00 O ATOM 1567 CB SER A 98 13.115 1.752 -12.296 1.00 0.00 C ATOM 1568 OG SER A 98 13.955 1.053 -13.205 1.00 0.00 O ATOM 0 H SER A 98 12.414 1.488 -9.409 1.00 0.00 H new ATOM 0 HA SER A 98 14.867 1.576 -11.060 1.00 0.00 H new ATOM 0 HB2 SER A 98 12.174 1.217 -12.168 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.871 2.737 -12.693 1.00 0.00 H new ATOM 0 HG SER A 98 14.749 1.594 -13.398 1.00 0.00 H new ATOM 1574 N SER A 99 14.926 3.972 -10.353 1.00 0.00 N ATOM 1575 CA SER A 99 14.947 5.396 -9.912 1.00 0.00 C ATOM 1576 C SER A 99 14.153 6.229 -10.920 1.00 0.00 C ATOM 1577 O SER A 99 13.800 5.758 -11.981 1.00 0.00 O ATOM 1578 CB SER A 99 16.389 5.904 -9.865 1.00 0.00 C ATOM 1579 OG SER A 99 16.850 6.131 -11.189 1.00 0.00 O ATOM 0 H SER A 99 15.842 3.558 -10.528 1.00 0.00 H new ATOM 0 HA SER A 99 14.507 5.480 -8.919 1.00 0.00 H new ATOM 0 HB2 SER A 99 16.443 6.826 -9.286 1.00 0.00 H new ATOM 0 HB3 SER A 99 17.027 5.175 -9.365 1.00 0.00 H new ATOM 0 HG SER A 99 17.691 6.633 -11.161 1.00 0.00 H new ATOM 1585 N GLU A 100 13.869 7.461 -10.605 1.00 0.00 N ATOM 1586 CA GLU A 100 13.103 8.309 -11.561 1.00 0.00 C ATOM 1587 C GLU A 100 13.497 9.776 -11.381 1.00 0.00 C ATOM 1588 O GLU A 100 14.264 10.121 -10.504 1.00 0.00 O ATOM 1589 CB GLU A 100 11.604 8.145 -11.301 1.00 0.00 C ATOM 1590 CG GLU A 100 10.992 7.254 -12.384 1.00 0.00 C ATOM 1591 CD GLU A 100 10.034 6.251 -11.740 1.00 0.00 C ATOM 1592 OE1 GLU A 100 9.296 6.651 -10.855 1.00 0.00 O ATOM 1593 OE2 GLU A 100 10.055 5.099 -12.142 1.00 0.00 O ATOM 0 H GLU A 100 14.132 7.917 -9.731 1.00 0.00 H new ATOM 0 HA GLU A 100 13.331 7.999 -12.581 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.441 7.704 -10.318 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.116 9.120 -11.298 1.00 0.00 H new ATOM 0 HG2 GLU A 100 10.460 7.864 -13.114 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.779 6.727 -12.923 1.00 0.00 H new ATOM 1600 N LYS A 101 12.973 10.643 -12.204 1.00 0.00 N ATOM 1601 CA LYS A 101 13.311 12.087 -12.083 1.00 0.00 C ATOM 1602 C LYS A 101 12.091 12.936 -12.443 1.00 0.00 C ATOM 1603 O LYS A 101 12.132 13.745 -13.349 1.00 0.00 O ATOM 1604 CB LYS A 101 14.459 12.422 -13.017 1.00 0.00 C ATOM 1605 CG LYS A 101 15.617 12.920 -12.164 1.00 0.00 C ATOM 1606 CD LYS A 101 16.292 14.095 -12.858 1.00 0.00 C ATOM 1607 CE LYS A 101 17.690 13.684 -13.324 1.00 0.00 C ATOM 1608 NZ LYS A 101 18.583 14.877 -13.324 1.00 0.00 N ATOM 0 H LYS A 101 12.324 10.412 -12.956 1.00 0.00 H new ATOM 0 HA LYS A 101 13.607 12.301 -11.056 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.756 11.543 -13.589 1.00 0.00 H new ATOM 0 HB3 LYS A 101 14.158 13.184 -13.736 1.00 0.00 H new ATOM 0 HG2 LYS A 101 15.255 13.224 -11.182 1.00 0.00 H new ATOM 0 HG3 LYS A 101 16.336 12.117 -12.004 1.00 0.00 H new ATOM 0 HD2 LYS A 101 15.694 14.419 -13.710 1.00 0.00 H new ATOM 0 HD3 LYS A 101 16.360 14.943 -12.176 1.00 0.00 H new ATOM 0 HE2 LYS A 101 18.093 12.914 -12.666 1.00 0.00 H new ATOM 0 HE3 LYS A 101 17.640 13.254 -14.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 19.534 14.599 -13.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 18.200 15.597 -13.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 18.639 15.269 -12.362 1.00 0.00 H new ATOM 1622 N ASP A 102 11.004 12.754 -11.742 1.00 0.00 N ATOM 1623 CA ASP A 102 9.776 13.546 -12.039 1.00 0.00 C ATOM 1624 C ASP A 102 9.072 12.968 -13.269 1.00 0.00 C ATOM 1625 O ASP A 102 8.013 13.418 -13.658 1.00 0.00 O ATOM 1626 CB ASP A 102 10.157 15.004 -12.307 1.00 0.00 C ATOM 1627 CG ASP A 102 9.041 15.924 -11.808 1.00 0.00 C ATOM 1628 OD1 ASP A 102 8.105 15.418 -11.213 1.00 0.00 O ATOM 1629 OD2 ASP A 102 9.143 17.120 -12.030 1.00 0.00 O ATOM 0 H ASP A 102 10.914 12.089 -10.974 1.00 0.00 H new ATOM 0 HA ASP A 102 9.103 13.498 -11.183 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.093 15.245 -11.803 1.00 0.00 H new ATOM 0 HB3 ASP A 102 10.320 15.158 -13.374 1.00 0.00 H new ATOM 1634 N GLY A 103 9.651 11.972 -13.883 1.00 0.00 N ATOM 1635 CA GLY A 103 9.013 11.367 -15.087 1.00 0.00 C ATOM 1636 C GLY A 103 10.072 11.165 -16.170 1.00 0.00 C ATOM 1637 O GLY A 103 9.825 11.368 -17.343 1.00 0.00 O ATOM 0 H GLY A 103 10.537 11.551 -13.603 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.553 10.413 -14.829 1.00 0.00 H new ATOM 0 HA3 GLY A 103 8.218 12.015 -15.456 1.00 0.00 H new ATOM 1641 N LYS A 104 11.254 10.774 -15.784 1.00 0.00 N ATOM 1642 CA LYS A 104 12.336 10.565 -16.787 1.00 0.00 C ATOM 1643 C LYS A 104 12.871 9.136 -16.687 1.00 0.00 C ATOM 1644 O LYS A 104 13.546 8.659 -17.578 1.00 0.00 O ATOM 1645 CB LYS A 104 13.477 11.545 -16.504 1.00 0.00 C ATOM 1646 CG LYS A 104 13.902 12.223 -17.806 1.00 0.00 C ATOM 1647 CD LYS A 104 13.047 13.471 -18.036 1.00 0.00 C ATOM 1648 CE LYS A 104 13.600 14.629 -17.204 1.00 0.00 C ATOM 1649 NZ LYS A 104 14.868 15.119 -17.814 1.00 0.00 N ATOM 0 H LYS A 104 11.518 10.590 -14.816 1.00 0.00 H new ATOM 0 HA LYS A 104 11.936 10.732 -17.787 1.00 0.00 H new ATOM 0 HB2 LYS A 104 13.156 12.294 -15.780 1.00 0.00 H new ATOM 0 HB3 LYS A 104 14.323 11.017 -16.063 1.00 0.00 H new ATOM 0 HG2 LYS A 104 14.956 12.495 -17.759 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.788 11.532 -18.642 1.00 0.00 H new ATOM 0 HD2 LYS A 104 13.048 13.736 -19.093 1.00 0.00 H new ATOM 0 HD3 LYS A 104 12.012 13.272 -17.759 1.00 0.00 H new ATOM 0 HE2 LYS A 104 12.871 15.438 -17.157 1.00 0.00 H new ATOM 0 HE3 LYS A 104 13.780 14.302 -16.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 15.039 16.101 -17.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 15.658 14.520 -17.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 14.793 15.078 -18.850 1.00 0.00 H new ATOM 1663 N ALA A 105 12.591 8.460 -15.600 1.00 0.00 N ATOM 1664 CA ALA A 105 13.094 7.066 -15.416 1.00 0.00 C ATOM 1665 C ALA A 105 14.518 7.122 -14.859 1.00 0.00 C ATOM 1666 O ALA A 105 14.861 6.407 -13.939 1.00 0.00 O ATOM 1667 CB ALA A 105 13.088 6.318 -16.752 1.00 0.00 C ATOM 0 H ALA A 105 12.031 8.819 -14.827 1.00 0.00 H new ATOM 0 HA ALA A 105 12.444 6.536 -14.720 1.00 0.00 H new ATOM 0 HB1 ALA A 105 13.457 5.303 -16.603 1.00 0.00 H new ATOM 0 HB2 ALA A 105 12.071 6.280 -17.143 1.00 0.00 H new ATOM 0 HB3 ALA A 105 13.731 6.837 -17.463 1.00 0.00 H new ATOM 1673 N THR A 106 15.343 7.981 -15.401 1.00 0.00 N ATOM 1674 CA THR A 106 16.744 8.115 -14.905 1.00 0.00 C ATOM 1675 C THR A 106 17.631 7.010 -15.493 1.00 0.00 C ATOM 1676 O THR A 106 18.772 7.244 -15.838 1.00 0.00 O ATOM 1677 CB THR A 106 16.762 8.036 -13.375 1.00 0.00 C ATOM 1678 OG1 THR A 106 15.477 8.366 -12.862 1.00 0.00 O ATOM 1679 CG2 THR A 106 17.787 9.025 -12.829 1.00 0.00 C ATOM 0 H THR A 106 15.102 8.601 -16.174 1.00 0.00 H new ATOM 0 HA THR A 106 17.135 9.082 -15.222 1.00 0.00 H new ATOM 0 HB THR A 106 17.026 7.023 -13.071 1.00 0.00 H new ATOM 0 HG1 THR A 106 15.157 9.189 -13.287 1.00 0.00 H new ATOM 0 HG21 THR A 106 17.801 8.970 -11.740 1.00 0.00 H new ATOM 0 HG22 THR A 106 18.775 8.777 -13.218 1.00 0.00 H new ATOM 0 HG23 THR A 106 17.518 10.035 -13.138 1.00 0.00 H new ATOM 1687 N GLY A 107 17.126 5.812 -15.612 1.00 0.00 N ATOM 1688 CA GLY A 107 17.956 4.711 -16.176 1.00 0.00 C ATOM 1689 C GLY A 107 18.340 3.738 -15.060 1.00 0.00 C ATOM 1690 O GLY A 107 18.945 2.712 -15.299 1.00 0.00 O ATOM 0 H GLY A 107 16.178 5.549 -15.344 1.00 0.00 H new ATOM 0 HA2 GLY A 107 17.403 4.187 -16.955 1.00 0.00 H new ATOM 0 HA3 GLY A 107 18.853 5.119 -16.641 1.00 0.00 H new ATOM 1694 N TRP A 108 17.995 4.051 -13.839 1.00 0.00 N ATOM 1695 CA TRP A 108 18.343 3.138 -12.712 1.00 0.00 C ATOM 1696 C TRP A 108 17.273 2.053 -12.591 1.00 0.00 C ATOM 1697 O TRP A 108 16.090 2.326 -12.639 1.00 0.00 O ATOM 1698 CB TRP A 108 18.412 3.932 -11.407 1.00 0.00 C ATOM 1699 CG TRP A 108 19.172 3.150 -10.382 1.00 0.00 C ATOM 1700 CD1 TRP A 108 20.516 3.188 -10.223 1.00 0.00 C ATOM 1701 CD2 TRP A 108 18.667 2.220 -9.375 1.00 0.00 C ATOM 1702 NE1 TRP A 108 20.868 2.346 -9.184 1.00 0.00 N ATOM 1703 CE2 TRP A 108 19.766 1.727 -8.630 1.00 0.00 C ATOM 1704 CE3 TRP A 108 17.380 1.760 -9.034 1.00 0.00 C ATOM 1705 CZ2 TRP A 108 19.596 0.814 -7.590 1.00 0.00 C ATOM 1706 CZ3 TRP A 108 17.207 0.840 -7.987 1.00 0.00 C ATOM 1707 CH2 TRP A 108 18.312 0.369 -7.267 1.00 0.00 C ATOM 0 H TRP A 108 17.489 4.896 -13.574 1.00 0.00 H new ATOM 0 HA TRP A 108 19.312 2.678 -12.905 1.00 0.00 H new ATOM 0 HB2 TRP A 108 18.897 4.893 -11.579 1.00 0.00 H new ATOM 0 HB3 TRP A 108 17.406 4.144 -11.045 1.00 0.00 H new ATOM 0 HD1 TRP A 108 21.202 3.780 -10.812 1.00 0.00 H new ATOM 0 HE1 TRP A 108 21.826 2.200 -8.866 1.00 0.00 H new ATOM 0 HE3 TRP A 108 16.520 2.117 -9.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 20.451 0.453 -7.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 16.215 0.494 -7.736 1.00 0.00 H new ATOM 0 HH2 TRP A 108 18.171 -0.338 -6.463 1.00 0.00 H new ATOM 1718 N SER A 109 17.678 0.823 -12.433 1.00 0.00 N ATOM 1719 CA SER A 109 16.680 -0.275 -12.310 1.00 0.00 C ATOM 1720 C SER A 109 17.298 -1.442 -11.532 1.00 0.00 C ATOM 1721 O SER A 109 18.056 -2.225 -12.069 1.00 0.00 O ATOM 1722 CB SER A 109 16.276 -0.752 -13.705 1.00 0.00 C ATOM 1723 OG SER A 109 17.255 -1.658 -14.194 1.00 0.00 O ATOM 0 H SER A 109 18.654 0.532 -12.384 1.00 0.00 H new ATOM 0 HA SER A 109 15.800 0.090 -11.780 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.301 -1.238 -13.667 1.00 0.00 H new ATOM 0 HB3 SER A 109 16.182 0.099 -14.380 1.00 0.00 H new ATOM 0 HG SER A 109 18.020 -1.676 -13.581 1.00 0.00 H new ATOM 1729 N ALA A 110 16.979 -1.566 -10.272 1.00 0.00 N ATOM 1730 CA ALA A 110 17.548 -2.684 -9.467 1.00 0.00 C ATOM 1731 C ALA A 110 16.629 -3.901 -9.570 1.00 0.00 C ATOM 1732 O ALA A 110 15.444 -3.777 -9.808 1.00 0.00 O ATOM 1733 CB ALA A 110 17.660 -2.257 -8.002 1.00 0.00 C ATOM 0 H ALA A 110 16.350 -0.942 -9.766 1.00 0.00 H new ATOM 0 HA ALA A 110 18.537 -2.937 -9.848 1.00 0.00 H new ATOM 0 HB1 ALA A 110 18.076 -3.076 -7.415 1.00 0.00 H new ATOM 0 HB2 ALA A 110 18.313 -1.387 -7.925 1.00 0.00 H new ATOM 0 HB3 ALA A 110 16.671 -2.003 -7.620 1.00 0.00 H new ATOM 1739 N PHE A 111 17.165 -5.078 -9.398 1.00 0.00 N ATOM 1740 CA PHE A 111 16.318 -6.299 -9.495 1.00 0.00 C ATOM 1741 C PHE A 111 16.358 -7.071 -8.177 1.00 0.00 C ATOM 1742 O PHE A 111 17.398 -7.249 -7.579 1.00 0.00 O ATOM 1743 CB PHE A 111 16.835 -7.199 -10.622 1.00 0.00 C ATOM 1744 CG PHE A 111 16.970 -6.398 -11.891 1.00 0.00 C ATOM 1745 CD1 PHE A 111 15.884 -6.282 -12.766 1.00 0.00 C ATOM 1746 CD2 PHE A 111 18.185 -5.772 -12.196 1.00 0.00 C ATOM 1747 CE1 PHE A 111 16.014 -5.541 -13.946 1.00 0.00 C ATOM 1748 CE2 PHE A 111 18.314 -5.031 -13.374 1.00 0.00 C ATOM 1749 CZ PHE A 111 17.228 -4.915 -14.249 1.00 0.00 C ATOM 0 H PHE A 111 18.150 -5.246 -9.195 1.00 0.00 H new ATOM 0 HA PHE A 111 15.292 -5.999 -9.706 1.00 0.00 H new ATOM 0 HB2 PHE A 111 17.799 -7.626 -10.346 1.00 0.00 H new ATOM 0 HB3 PHE A 111 16.150 -8.032 -10.778 1.00 0.00 H new ATOM 0 HD1 PHE A 111 14.947 -6.764 -12.531 1.00 0.00 H new ATOM 0 HD2 PHE A 111 19.023 -5.862 -11.521 1.00 0.00 H new ATOM 0 HE1 PHE A 111 15.177 -5.452 -14.623 1.00 0.00 H new ATOM 0 HE2 PHE A 111 19.251 -4.548 -13.609 1.00 0.00 H new ATOM 0 HZ PHE A 111 17.327 -4.342 -15.159 1.00 0.00 H new ATOM 1759 N TYR A 112 15.230 -7.541 -7.725 1.00 0.00 N ATOM 1760 CA TYR A 112 15.201 -8.311 -6.452 1.00 0.00 C ATOM 1761 C TYR A 112 15.475 -9.785 -6.752 1.00 0.00 C ATOM 1762 O TYR A 112 14.616 -10.497 -7.232 1.00 0.00 O ATOM 1763 CB TYR A 112 13.823 -8.173 -5.805 1.00 0.00 C ATOM 1764 CG TYR A 112 13.874 -8.699 -4.392 1.00 0.00 C ATOM 1765 CD1 TYR A 112 14.880 -8.265 -3.521 1.00 0.00 C ATOM 1766 CD2 TYR A 112 12.916 -9.619 -3.954 1.00 0.00 C ATOM 1767 CE1 TYR A 112 14.927 -8.752 -2.210 1.00 0.00 C ATOM 1768 CE2 TYR A 112 12.963 -10.107 -2.643 1.00 0.00 C ATOM 1769 CZ TYR A 112 13.968 -9.672 -1.770 1.00 0.00 C ATOM 1770 OH TYR A 112 14.014 -10.151 -0.476 1.00 0.00 O ATOM 0 H TYR A 112 14.326 -7.425 -8.183 1.00 0.00 H new ATOM 0 HA TYR A 112 15.961 -7.926 -5.772 1.00 0.00 H new ATOM 0 HB2 TYR A 112 13.513 -7.128 -5.804 1.00 0.00 H new ATOM 0 HB3 TYR A 112 13.082 -8.725 -6.383 1.00 0.00 H new ATOM 0 HD1 TYR A 112 15.619 -7.555 -3.860 1.00 0.00 H new ATOM 0 HD2 TYR A 112 12.140 -9.953 -4.627 1.00 0.00 H new ATOM 0 HE1 TYR A 112 15.703 -8.418 -1.537 1.00 0.00 H new ATOM 0 HE2 TYR A 112 12.224 -10.819 -2.305 1.00 0.00 H new ATOM 0 HH TYR A 112 13.909 -11.125 -0.484 1.00 0.00 H new ATOM 1780 N VAL A 113 16.661 -10.253 -6.473 1.00 0.00 N ATOM 1781 CA VAL A 113 16.970 -11.678 -6.744 1.00 0.00 C ATOM 1782 C VAL A 113 16.617 -12.497 -5.502 1.00 0.00 C ATOM 1783 O VAL A 113 15.666 -12.200 -4.816 1.00 0.00 O ATOM 1784 CB VAL A 113 18.457 -11.832 -7.086 1.00 0.00 C ATOM 1785 CG1 VAL A 113 18.657 -13.107 -7.907 1.00 0.00 C ATOM 1786 CG2 VAL A 113 18.930 -10.630 -7.916 1.00 0.00 C ATOM 0 H VAL A 113 17.424 -9.709 -6.071 1.00 0.00 H new ATOM 0 HA VAL A 113 16.387 -12.035 -7.593 1.00 0.00 H new ATOM 0 HB VAL A 113 19.032 -11.886 -6.161 1.00 0.00 H new ATOM 0 HG11 VAL A 113 19.713 -13.220 -8.152 1.00 0.00 H new ATOM 0 HG12 VAL A 113 18.325 -13.969 -7.328 1.00 0.00 H new ATOM 0 HG13 VAL A 113 18.076 -13.042 -8.827 1.00 0.00 H new ATOM 0 HG21 VAL A 113 19.987 -10.746 -8.155 1.00 0.00 H new ATOM 0 HG22 VAL A 113 18.353 -10.576 -8.839 1.00 0.00 H new ATOM 0 HG23 VAL A 113 18.786 -9.714 -7.344 1.00 0.00 H new ATOM 1796 N ASP A 114 17.385 -13.498 -5.182 1.00 0.00 N ATOM 1797 CA ASP A 114 17.079 -14.308 -3.966 1.00 0.00 C ATOM 1798 C ASP A 114 17.336 -13.419 -2.772 1.00 0.00 C ATOM 1799 O ASP A 114 18.429 -13.385 -2.242 1.00 0.00 O ATOM 1800 CB ASP A 114 17.995 -15.534 -3.909 1.00 0.00 C ATOM 1801 CG ASP A 114 19.404 -15.144 -4.363 1.00 0.00 C ATOM 1802 OD1 ASP A 114 19.669 -15.239 -5.551 1.00 0.00 O ATOM 1803 OD2 ASP A 114 20.192 -14.757 -3.517 1.00 0.00 O ATOM 0 H ASP A 114 18.209 -13.792 -5.706 1.00 0.00 H new ATOM 0 HA ASP A 114 16.047 -14.659 -3.980 1.00 0.00 H new ATOM 0 HB2 ASP A 114 18.026 -15.931 -2.894 1.00 0.00 H new ATOM 0 HB3 ASP A 114 17.602 -16.324 -4.548 1.00 0.00 H new ATOM 1808 N GLY A 115 16.367 -12.636 -2.381 1.00 0.00 N ATOM 1809 CA GLY A 115 16.622 -11.689 -1.271 1.00 0.00 C ATOM 1810 C GLY A 115 17.910 -10.968 -1.644 1.00 0.00 C ATOM 1811 O GLY A 115 18.672 -10.535 -0.802 1.00 0.00 O ATOM 0 H GLY A 115 15.427 -12.614 -2.777 1.00 0.00 H new ATOM 0 HA2 GLY A 115 15.797 -10.986 -1.157 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.727 -12.215 -0.322 1.00 0.00 H new ATOM 1815 N LYS A 116 18.176 -10.890 -2.932 1.00 0.00 N ATOM 1816 CA LYS A 116 19.439 -10.256 -3.393 1.00 0.00 C ATOM 1817 C LYS A 116 19.163 -9.129 -4.389 1.00 0.00 C ATOM 1818 O LYS A 116 19.345 -9.292 -5.577 1.00 0.00 O ATOM 1819 CB LYS A 116 20.309 -11.314 -4.075 1.00 0.00 C ATOM 1820 CG LYS A 116 21.545 -11.589 -3.214 1.00 0.00 C ATOM 1821 CD LYS A 116 21.118 -11.811 -1.762 1.00 0.00 C ATOM 1822 CE LYS A 116 22.172 -12.658 -1.044 1.00 0.00 C ATOM 1823 NZ LYS A 116 21.879 -14.103 -1.258 1.00 0.00 N ATOM 0 H LYS A 116 17.569 -11.239 -3.674 1.00 0.00 H new ATOM 0 HA LYS A 116 19.948 -9.836 -2.525 1.00 0.00 H new ATOM 0 HB2 LYS A 116 19.740 -12.232 -4.217 1.00 0.00 H new ATOM 0 HB3 LYS A 116 20.611 -10.970 -5.064 1.00 0.00 H new ATOM 0 HG2 LYS A 116 22.073 -12.467 -3.587 1.00 0.00 H new ATOM 0 HG3 LYS A 116 22.238 -10.750 -3.276 1.00 0.00 H new ATOM 0 HD2 LYS A 116 21.000 -10.853 -1.256 1.00 0.00 H new ATOM 0 HD3 LYS A 116 20.150 -12.311 -1.729 1.00 0.00 H new ATOM 0 HE2 LYS A 116 23.166 -12.418 -1.422 1.00 0.00 H new ATOM 0 HE3 LYS A 116 22.172 -12.430 0.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 22.769 -14.618 -1.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 21.400 -14.488 -0.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 21.264 -14.213 -2.089 1.00 0.00 H new ATOM 1837 N TRP A 117 18.753 -7.981 -3.927 1.00 0.00 N ATOM 1838 CA TRP A 117 18.507 -6.866 -4.880 1.00 0.00 C ATOM 1839 C TRP A 117 19.762 -6.672 -5.735 1.00 0.00 C ATOM 1840 O TRP A 117 20.829 -7.143 -5.397 1.00 0.00 O ATOM 1841 CB TRP A 117 18.208 -5.581 -4.109 1.00 0.00 C ATOM 1842 CG TRP A 117 16.748 -5.515 -3.808 1.00 0.00 C ATOM 1843 CD1 TRP A 117 16.202 -5.685 -2.581 1.00 0.00 C ATOM 1844 CD2 TRP A 117 15.637 -5.265 -4.720 1.00 0.00 C ATOM 1845 NE1 TRP A 117 14.830 -5.555 -2.681 1.00 0.00 N ATOM 1846 CE2 TRP A 117 14.432 -5.295 -3.977 1.00 0.00 C ATOM 1847 CE3 TRP A 117 15.555 -5.018 -6.105 1.00 0.00 C ATOM 1848 CZ2 TRP A 117 13.193 -5.084 -4.585 1.00 0.00 C ATOM 1849 CZ3 TRP A 117 14.314 -4.805 -6.715 1.00 0.00 C ATOM 1850 CH2 TRP A 117 13.133 -4.837 -5.959 1.00 0.00 C ATOM 0 H TRP A 117 18.580 -7.769 -2.944 1.00 0.00 H new ATOM 0 HA TRP A 117 17.653 -7.102 -5.515 1.00 0.00 H new ATOM 0 HB2 TRP A 117 18.783 -5.556 -3.184 1.00 0.00 H new ATOM 0 HB3 TRP A 117 18.510 -4.713 -4.695 1.00 0.00 H new ATOM 0 HD1 TRP A 117 16.749 -5.889 -1.673 1.00 0.00 H new ATOM 0 HE1 TRP A 117 14.189 -5.641 -1.892 1.00 0.00 H new ATOM 0 HE3 TRP A 117 16.456 -4.993 -6.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 12.287 -5.112 -3.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 14.265 -4.614 -7.777 1.00 0.00 H new ATOM 0 HH2 TRP A 117 12.179 -4.671 -6.438 1.00 0.00 H new ATOM 1861 N VAL A 118 19.649 -5.990 -6.841 1.00 0.00 N ATOM 1862 CA VAL A 118 20.845 -5.782 -7.709 1.00 0.00 C ATOM 1863 C VAL A 118 20.718 -4.443 -8.438 1.00 0.00 C ATOM 1864 O VAL A 118 19.725 -3.754 -8.323 1.00 0.00 O ATOM 1865 CB VAL A 118 20.949 -6.914 -8.741 1.00 0.00 C ATOM 1866 CG1 VAL A 118 21.972 -7.945 -8.272 1.00 0.00 C ATOM 1867 CG2 VAL A 118 19.595 -7.601 -8.902 1.00 0.00 C ATOM 0 H VAL A 118 18.785 -5.569 -7.181 1.00 0.00 H new ATOM 0 HA VAL A 118 21.740 -5.780 -7.087 1.00 0.00 H new ATOM 0 HB VAL A 118 21.260 -6.490 -9.696 1.00 0.00 H new ATOM 0 HG11 VAL A 118 22.043 -8.747 -9.007 1.00 0.00 H new ATOM 0 HG12 VAL A 118 22.945 -7.467 -8.161 1.00 0.00 H new ATOM 0 HG13 VAL A 118 21.659 -8.358 -7.313 1.00 0.00 H new ATOM 0 HG21 VAL A 118 19.679 -8.402 -9.636 1.00 0.00 H new ATOM 0 HG22 VAL A 118 19.282 -8.017 -7.944 1.00 0.00 H new ATOM 0 HG23 VAL A 118 18.856 -6.874 -9.241 1.00 0.00 H new ATOM 1877 N GLU A 119 21.720 -4.070 -9.187 1.00 0.00 N ATOM 1878 CA GLU A 119 21.658 -2.775 -9.923 1.00 0.00 C ATOM 1879 C GLU A 119 22.251 -2.954 -11.321 1.00 0.00 C ATOM 1880 O GLU A 119 23.450 -3.055 -11.490 1.00 0.00 O ATOM 1881 CB GLU A 119 22.461 -1.718 -9.161 1.00 0.00 C ATOM 1882 CG GLU A 119 21.759 -1.399 -7.839 1.00 0.00 C ATOM 1883 CD GLU A 119 22.156 -2.436 -6.786 1.00 0.00 C ATOM 1884 OE1 GLU A 119 22.894 -3.346 -7.128 1.00 0.00 O ATOM 1885 OE2 GLU A 119 21.716 -2.302 -5.656 1.00 0.00 O ATOM 0 H GLU A 119 22.578 -4.605 -9.321 1.00 0.00 H new ATOM 0 HA GLU A 119 20.620 -2.454 -10.007 1.00 0.00 H new ATOM 0 HB2 GLU A 119 23.471 -2.081 -8.970 1.00 0.00 H new ATOM 0 HB3 GLU A 119 22.555 -0.814 -9.762 1.00 0.00 H new ATOM 0 HG2 GLU A 119 22.033 -0.399 -7.502 1.00 0.00 H new ATOM 0 HG3 GLU A 119 20.678 -1.403 -7.979 1.00 0.00 H new ATOM 1892 N GLY A 120 21.420 -2.991 -12.328 1.00 0.00 N ATOM 1893 CA GLY A 120 21.940 -3.161 -13.715 1.00 0.00 C ATOM 1894 C GLY A 120 22.789 -1.947 -14.093 1.00 0.00 C ATOM 1895 O GLY A 120 23.922 -2.076 -14.513 1.00 0.00 O ATOM 0 H GLY A 120 20.406 -2.911 -12.250 1.00 0.00 H new ATOM 0 HA2 GLY A 120 22.537 -4.071 -13.782 1.00 0.00 H new ATOM 0 HA3 GLY A 120 21.111 -3.271 -14.415 1.00 0.00 H new