USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 820 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 85 ASN : amide:sc= 0 X(o=1.3,f=1.3) USER MOD Set 1.2: A 86 CYS SG : rot -163:sc= 1.34 USER MOD Set 2.1: A 80 ASN : amide:sc= 0.731 K(o=0.73,f=-3.4!) USER MOD Set 2.2: A 81 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 71 LYS NZ :NH3+ -165:sc=-0.00224 (180deg=-0.111) USER MOD Set 3.2: A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= -0.562 K(o=-0.56,f=-7.6!) USER MOD Single : A 32 LYS NZ :NH3+ -178:sc= 0.0574 (180deg=0.0569) USER MOD Single : A 33 GLN : amide:sc= -0.0385 K(o=-0.039,f=-1.3!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00434) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot -15:sc= -0.187 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.94 X(o=-1.9,f=-1.8!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -3.67! C(o=-3.7!,f=-2.7!) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 152:sc= 0.0639 USER MOD Single : A 70 ASN : amide:sc= -0.225 K(o=-0.22,f=-2.4!) USER MOD Single : A 73 SER OG : rot 150:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-0.48) USER MOD Single : A 92 THR OG1 : rot 74:sc= 0.137 USER MOD Single : A 93 TYR OH : rot 57:sc= 0.348 USER MOD Single : A 101 ASN : amide:sc= -4.19! C(o=-4.2!,f=-9.3!) USER MOD Single : A 104 CYS SG : rot 11:sc= -0.0266! USER MOD Single : A 106 GLN : amide:sc= -0.864 K(o=-0.86,f=-0.24) USER MOD Single : A 109 TYR OH : rot -140:sc= 0.0131 USER MOD Single : A 110 ASN : amide:sc= -2.45 K(o=-2.4,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 143 N LEU A 13 9.583 2.171 4.552 1.00 0.00 N ATOM 144 CA LEU A 13 8.761 3.086 3.766 1.00 0.00 C ATOM 145 C LEU A 13 9.630 4.093 3.020 1.00 0.00 C ATOM 146 O LEU A 13 10.671 4.521 3.518 1.00 0.00 O ATOM 147 CB LEU A 13 7.773 3.821 4.673 1.00 0.00 C ATOM 148 CG LEU A 13 8.306 5.070 5.374 1.00 0.00 C ATOM 149 CD1 LEU A 13 8.240 6.273 4.445 1.00 0.00 C ATOM 150 CD2 LEU A 13 7.526 5.338 6.653 1.00 0.00 C ATOM 0 HA LEU A 13 8.206 2.500 3.034 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.906 4.106 4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.422 3.124 5.434 1.00 0.00 H new ATOM 0 HG LEU A 13 9.349 4.898 5.638 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.624 7.153 4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.843 6.081 3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.206 6.448 4.149 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.919 6.231 7.139 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.474 5.489 6.412 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.625 4.486 7.325 1.00 0.00 H new ATOM 162 N LYS A 14 9.193 4.470 1.822 1.00 0.00 N ATOM 163 CA LYS A 14 9.928 5.430 1.007 1.00 0.00 C ATOM 164 C LYS A 14 8.976 6.250 0.143 1.00 0.00 C ATOM 165 O LYS A 14 8.045 5.725 -0.468 1.00 0.00 O ATOM 166 CB LYS A 14 10.942 4.705 0.120 1.00 0.00 C ATOM 167 CG LYS A 14 11.928 5.637 -0.563 1.00 0.00 C ATOM 168 CD LYS A 14 12.612 4.961 -1.740 1.00 0.00 C ATOM 169 CE LYS A 14 13.760 4.075 -1.284 1.00 0.00 C ATOM 170 NZ LYS A 14 14.778 3.889 -2.355 1.00 0.00 N ATOM 0 H LYS A 14 8.334 4.125 1.395 1.00 0.00 H new ATOM 0 HA LYS A 14 10.458 6.107 1.676 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.494 3.986 0.726 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.406 4.136 -0.640 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.407 6.530 -0.908 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.679 5.964 0.156 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.885 4.363 -2.290 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.987 5.718 -2.428 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.233 4.516 -0.407 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.370 3.103 -0.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.544 3.279 -2.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.333 3.444 -3.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.169 4.814 -2.627 1.00 0.00 H new ATOM 184 N PRO A 15 9.213 7.569 0.089 1.00 0.00 N ATOM 185 CA PRO A 15 8.388 8.490 -0.699 1.00 0.00 C ATOM 186 C PRO A 15 8.575 8.296 -2.200 1.00 0.00 C ATOM 187 O PRO A 15 9.639 7.893 -2.671 1.00 0.00 O ATOM 188 CB PRO A 15 8.892 9.871 -0.272 1.00 0.00 C ATOM 189 CG PRO A 15 10.290 9.640 0.186 1.00 0.00 C ATOM 190 CD PRO A 15 10.305 8.264 0.792 1.00 0.00 C ATOM 0 HA PRO A 15 7.323 8.336 -0.523 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.859 10.578 -1.101 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.278 10.287 0.526 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.990 9.707 -0.647 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.591 10.391 0.916 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.263 7.767 0.637 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.133 8.297 1.868 1.00 0.00 H new ATOM 198 N PRO A 16 7.517 8.588 -2.971 1.00 0.00 N ATOM 199 CA PRO A 16 7.540 8.454 -4.431 1.00 0.00 C ATOM 200 C PRO A 16 8.436 9.494 -5.095 1.00 0.00 C ATOM 201 O PRO A 16 8.568 10.615 -4.604 1.00 0.00 O ATOM 202 CB PRO A 16 6.079 8.672 -4.831 1.00 0.00 C ATOM 203 CG PRO A 16 5.506 9.499 -3.732 1.00 0.00 C ATOM 204 CD PRO A 16 6.217 9.073 -2.478 1.00 0.00 C ATOM 0 HA PRO A 16 7.942 7.491 -4.745 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.003 9.182 -5.791 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.550 7.724 -4.931 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.657 10.561 -3.924 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.431 9.340 -3.644 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.336 9.903 -1.782 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.670 8.291 -1.952 1.00 0.00 H new ATOM 212 N GLU A 17 9.048 9.115 -6.212 1.00 0.00 N ATOM 213 CA GLU A 17 9.931 10.018 -6.942 1.00 0.00 C ATOM 214 C GLU A 17 9.135 10.910 -7.890 1.00 0.00 C ATOM 215 O GLU A 17 9.417 12.101 -8.020 1.00 0.00 O ATOM 216 CB GLU A 17 10.973 9.220 -7.730 1.00 0.00 C ATOM 217 CG GLU A 17 10.390 8.039 -8.487 1.00 0.00 C ATOM 218 CD GLU A 17 11.363 7.455 -9.494 1.00 0.00 C ATOM 219 OE1 GLU A 17 12.364 8.129 -9.812 1.00 0.00 O ATOM 220 OE2 GLU A 17 11.121 6.322 -9.962 1.00 0.00 O ATOM 0 H GLU A 17 8.949 8.190 -6.631 1.00 0.00 H new ATOM 0 HA GLU A 17 10.440 10.652 -6.217 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.469 9.885 -8.437 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.738 8.858 -7.042 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.099 7.265 -7.777 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.484 8.355 -9.004 1.00 0.00 H new ATOM 227 N GLN A 18 8.140 10.325 -8.549 1.00 0.00 N ATOM 228 CA GLN A 18 7.303 11.066 -9.485 1.00 0.00 C ATOM 229 C GLN A 18 5.972 10.357 -9.705 1.00 0.00 C ATOM 230 O GLN A 18 5.920 9.131 -9.803 1.00 0.00 O ATOM 231 CB GLN A 18 8.028 11.242 -10.820 1.00 0.00 C ATOM 232 CG GLN A 18 8.379 9.928 -11.500 1.00 0.00 C ATOM 233 CD GLN A 18 8.426 10.046 -13.010 1.00 0.00 C ATOM 234 OE1 GLN A 18 9.227 10.803 -13.560 1.00 0.00 O ATOM 235 NE2 GLN A 18 7.566 9.297 -13.691 1.00 0.00 N ATOM 0 H GLN A 18 7.894 9.340 -8.452 1.00 0.00 H new ATOM 0 HA GLN A 18 7.103 12.048 -9.056 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.401 11.832 -11.489 1.00 0.00 H new ATOM 0 HB3 GLN A 18 8.942 11.812 -10.655 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.347 9.582 -11.136 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.645 9.172 -11.221 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.920 8.684 -13.195 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.552 9.335 -14.710 1.00 0.00 H new ATOM 244 N GLU A 19 4.897 11.136 -9.782 1.00 0.00 N ATOM 245 CA GLU A 19 3.565 10.580 -9.990 1.00 0.00 C ATOM 246 C GLU A 19 3.573 9.555 -11.120 1.00 0.00 C ATOM 247 O GLU A 19 4.086 9.820 -12.208 1.00 0.00 O ATOM 248 CB GLU A 19 2.566 11.696 -10.305 1.00 0.00 C ATOM 249 CG GLU A 19 1.120 11.232 -10.320 1.00 0.00 C ATOM 250 CD GLU A 19 0.140 12.369 -10.106 1.00 0.00 C ATOM 251 OE1 GLU A 19 0.096 12.910 -8.982 1.00 0.00 O ATOM 252 OE2 GLU A 19 -0.582 12.718 -11.063 1.00 0.00 O ATOM 0 H GLU A 19 4.923 12.153 -9.704 1.00 0.00 H new ATOM 0 HA GLU A 19 3.261 10.079 -9.071 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.676 12.490 -9.566 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.810 12.128 -11.276 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.907 10.749 -11.274 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.975 10.481 -9.543 1.00 0.00 H new ATOM 259 N ILE A 20 3.002 8.385 -10.854 1.00 0.00 N ATOM 260 CA ILE A 20 2.943 7.321 -11.849 1.00 0.00 C ATOM 261 C ILE A 20 1.537 7.183 -12.423 1.00 0.00 C ATOM 262 O ILE A 20 0.627 7.920 -12.045 1.00 0.00 O ATOM 263 CB ILE A 20 3.377 5.969 -11.253 1.00 0.00 C ATOM 264 CG1 ILE A 20 2.414 5.544 -10.142 1.00 0.00 C ATOM 265 CG2 ILE A 20 4.800 6.057 -10.722 1.00 0.00 C ATOM 266 CD1 ILE A 20 2.279 4.044 -10.001 1.00 0.00 C ATOM 0 H ILE A 20 2.574 8.150 -9.959 1.00 0.00 H new ATOM 0 HA ILE A 20 3.633 7.596 -12.647 1.00 0.00 H new ATOM 0 HB ILE A 20 3.349 5.216 -12.040 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.758 5.960 -9.195 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.431 5.972 -10.340 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.093 5.094 -10.304 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.476 6.320 -11.535 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.852 6.820 -9.946 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.581 3.816 -9.195 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.906 3.623 -10.935 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.253 3.611 -9.771 1.00 0.00 H new ATOM 278 N GLU A 21 1.368 6.232 -13.337 1.00 0.00 N ATOM 279 CA GLU A 21 0.072 5.997 -13.962 1.00 0.00 C ATOM 280 C GLU A 21 -0.490 4.638 -13.556 1.00 0.00 C ATOM 281 O GLU A 21 0.251 3.665 -13.414 1.00 0.00 O ATOM 282 CB GLU A 21 0.194 6.076 -15.486 1.00 0.00 C ATOM 283 CG GLU A 21 -0.804 5.198 -16.222 1.00 0.00 C ATOM 284 CD GLU A 21 -0.934 5.566 -17.688 1.00 0.00 C ATOM 285 OE1 GLU A 21 0.110 5.761 -18.345 1.00 0.00 O ATOM 286 OE2 GLU A 21 -2.079 5.659 -18.177 1.00 0.00 O ATOM 0 H GLU A 21 2.111 5.613 -13.660 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.614 6.772 -13.619 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.056 7.111 -15.800 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.204 5.787 -15.777 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.496 4.156 -16.139 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.779 5.282 -15.742 1.00 0.00 H new ATOM 293 N ILE A 22 -1.804 4.580 -13.369 1.00 0.00 N ATOM 294 CA ILE A 22 -2.466 3.341 -12.979 1.00 0.00 C ATOM 295 C ILE A 22 -3.684 3.069 -13.854 1.00 0.00 C ATOM 296 O ILE A 22 -4.484 3.966 -14.119 1.00 0.00 O ATOM 297 CB ILE A 22 -2.906 3.378 -11.503 1.00 0.00 C ATOM 298 CG1 ILE A 22 -1.685 3.478 -10.587 1.00 0.00 C ATOM 299 CG2 ILE A 22 -3.730 2.144 -11.165 1.00 0.00 C ATOM 300 CD1 ILE A 22 -0.830 2.230 -10.581 1.00 0.00 C ATOM 0 H ILE A 22 -2.431 5.376 -13.481 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.739 2.540 -13.113 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.527 4.260 -11.346 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.075 4.325 -10.900 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.020 3.684 -9.570 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.034 2.184 -10.119 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.616 2.113 -11.799 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.131 1.249 -11.335 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.017 2.373 -9.910 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.425 1.383 -10.239 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.465 2.034 -11.589 1.00 0.00 H new ATOM 312 N ASP A 23 -3.820 1.825 -14.300 1.00 0.00 N ATOM 313 CA ASP A 23 -4.943 1.433 -15.144 1.00 0.00 C ATOM 314 C ASP A 23 -6.079 0.857 -14.304 1.00 0.00 C ATOM 315 O ASP A 23 -5.969 -0.244 -13.765 1.00 0.00 O ATOM 316 CB ASP A 23 -4.492 0.407 -16.185 1.00 0.00 C ATOM 317 CG ASP A 23 -3.924 1.059 -17.431 1.00 0.00 C ATOM 318 OD1 ASP A 23 -4.681 1.765 -18.128 1.00 0.00 O ATOM 319 OD2 ASP A 23 -2.722 0.861 -17.709 1.00 0.00 O ATOM 0 H ASP A 23 -3.166 1.070 -14.091 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.309 2.323 -15.656 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.739 -0.246 -15.745 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.338 -0.222 -16.461 1.00 0.00 H new ATOM 324 N ARG A 24 -7.168 1.611 -14.196 1.00 0.00 N ATOM 325 CA ARG A 24 -8.324 1.177 -13.420 1.00 0.00 C ATOM 326 C ARG A 24 -8.966 -0.059 -14.045 1.00 0.00 C ATOM 327 O ARG A 24 -9.863 -0.666 -13.462 1.00 0.00 O ATOM 328 CB ARG A 24 -9.352 2.305 -13.322 1.00 0.00 C ATOM 329 CG ARG A 24 -8.946 3.419 -12.371 1.00 0.00 C ATOM 330 CD ARG A 24 -8.140 4.494 -13.084 1.00 0.00 C ATOM 331 NE ARG A 24 -8.225 5.783 -12.403 1.00 0.00 N ATOM 332 CZ ARG A 24 -7.714 6.907 -12.892 1.00 0.00 C ATOM 333 NH1 ARG A 24 -7.086 6.901 -14.060 1.00 0.00 N ATOM 334 NH2 ARG A 24 -7.831 8.041 -12.213 1.00 0.00 N ATOM 0 H ARG A 24 -7.274 2.525 -14.636 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.981 0.919 -12.418 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.512 2.726 -14.314 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.305 1.889 -12.995 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.837 3.864 -11.929 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.357 3.004 -11.553 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.097 4.184 -13.145 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.502 4.600 -14.107 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.703 5.822 -11.503 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.994 6.032 -14.585 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.695 7.766 -14.433 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.314 8.050 -11.315 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.438 8.904 -12.590 1.00 0.00 H new ATOM 348 N ASN A 25 -8.499 -0.424 -15.235 1.00 0.00 N ATOM 349 CA ASN A 25 -9.028 -1.586 -15.939 1.00 0.00 C ATOM 350 C ASN A 25 -7.944 -2.640 -16.141 1.00 0.00 C ATOM 351 O ASN A 25 -8.168 -3.657 -16.798 1.00 0.00 O ATOM 352 CB ASN A 25 -9.606 -1.168 -17.293 1.00 0.00 C ATOM 353 CG ASN A 25 -10.686 -0.111 -17.159 1.00 0.00 C ATOM 354 OD1 ASN A 25 -11.819 -0.410 -16.779 1.00 0.00 O ATOM 355 ND2 ASN A 25 -10.340 1.132 -17.472 1.00 0.00 N ATOM 0 H ASN A 25 -7.756 0.068 -15.731 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.822 -2.018 -15.330 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.804 -0.786 -17.925 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.018 -2.043 -17.795 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.025 1.885 -17.402 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.390 1.334 -17.782 1.00 0.00 H new ATOM 362 N ILE A 26 -6.771 -2.390 -15.570 1.00 0.00 N ATOM 363 CA ILE A 26 -5.653 -3.319 -15.686 1.00 0.00 C ATOM 364 C ILE A 26 -4.843 -3.367 -14.394 1.00 0.00 C ATOM 365 O ILE A 26 -4.730 -2.369 -13.683 1.00 0.00 O ATOM 366 CB ILE A 26 -4.720 -2.935 -16.849 1.00 0.00 C ATOM 367 CG1 ILE A 26 -5.503 -2.879 -18.163 1.00 0.00 C ATOM 368 CG2 ILE A 26 -3.569 -3.924 -16.954 1.00 0.00 C ATOM 369 CD1 ILE A 26 -6.115 -1.525 -18.444 1.00 0.00 C ATOM 0 H ILE A 26 -6.570 -1.553 -15.023 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.079 -4.303 -15.883 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.306 -1.946 -16.652 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.838 -3.146 -18.984 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.294 -3.628 -18.137 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.918 -3.639 -17.781 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.999 -3.919 -16.025 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.964 -4.924 -17.131 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.654 -1.559 -19.391 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.806 -1.264 -17.642 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.327 -0.774 -18.502 1.00 0.00 H new ATOM 381 N ILE A 27 -4.281 -4.534 -14.099 1.00 0.00 N ATOM 382 CA ILE A 27 -3.479 -4.712 -12.895 1.00 0.00 C ATOM 383 C ILE A 27 -2.082 -5.221 -13.235 1.00 0.00 C ATOM 384 O ILE A 27 -1.903 -6.390 -13.574 1.00 0.00 O ATOM 385 CB ILE A 27 -4.146 -5.695 -11.914 1.00 0.00 C ATOM 386 CG1 ILE A 27 -5.575 -5.245 -11.601 1.00 0.00 C ATOM 387 CG2 ILE A 27 -3.328 -5.805 -10.636 1.00 0.00 C ATOM 388 CD1 ILE A 27 -6.324 -6.200 -10.698 1.00 0.00 C ATOM 0 H ILE A 27 -4.366 -5.370 -14.677 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.402 -3.734 -12.420 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.188 -6.679 -12.381 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.543 -4.262 -11.131 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.125 -5.134 -12.535 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.812 -6.503 -9.953 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.327 -6.166 -10.874 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.258 -4.825 -10.164 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.329 -5.818 -10.518 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.387 -7.178 -11.175 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.796 -6.293 -9.749 1.00 0.00 H new ATOM 400 N GLN A 28 -1.096 -4.334 -13.139 1.00 0.00 N ATOM 401 CA GLN A 28 0.285 -4.695 -13.435 1.00 0.00 C ATOM 402 C GLN A 28 1.029 -5.091 -12.164 1.00 0.00 C ATOM 403 O GLN A 28 0.672 -4.665 -11.067 1.00 0.00 O ATOM 404 CB GLN A 28 1.003 -3.529 -14.118 1.00 0.00 C ATOM 405 CG GLN A 28 0.093 -2.681 -14.991 1.00 0.00 C ATOM 406 CD GLN A 28 -0.568 -1.553 -14.224 1.00 0.00 C ATOM 407 OE1 GLN A 28 -0.836 -1.673 -13.028 1.00 0.00 O ATOM 408 NE2 GLN A 28 -0.834 -0.447 -14.909 1.00 0.00 N ATOM 0 H GLN A 28 -1.228 -3.362 -12.859 1.00 0.00 H new ATOM 0 HA GLN A 28 0.274 -5.552 -14.109 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.455 -2.895 -13.355 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.816 -3.922 -14.729 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.672 -2.264 -15.815 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.676 -3.316 -15.431 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.595 -0.390 -15.899 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.277 0.346 -14.445 1.00 0.00 H new ATOM 417 N GLU A 29 2.064 -5.910 -12.322 1.00 0.00 N ATOM 418 CA GLU A 29 2.857 -6.365 -11.185 1.00 0.00 C ATOM 419 C GLU A 29 3.113 -5.222 -10.208 1.00 0.00 C ATOM 420 O GLU A 29 3.212 -5.435 -9.000 1.00 0.00 O ATOM 421 CB GLU A 29 4.188 -6.948 -11.665 1.00 0.00 C ATOM 422 CG GLU A 29 5.201 -5.893 -12.079 1.00 0.00 C ATOM 423 CD GLU A 29 4.968 -5.383 -13.488 1.00 0.00 C ATOM 424 OE1 GLU A 29 4.325 -6.104 -14.280 1.00 0.00 O ATOM 425 OE2 GLU A 29 5.428 -4.265 -13.798 1.00 0.00 O ATOM 0 H GLU A 29 2.373 -6.272 -13.224 1.00 0.00 H new ATOM 0 HA GLU A 29 2.293 -7.142 -10.668 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.616 -7.558 -10.869 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.001 -7.611 -12.510 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.155 -5.057 -11.381 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.205 -6.311 -12.009 1.00 0.00 H new ATOM 432 N GLU A 30 3.219 -4.008 -10.740 1.00 0.00 N ATOM 433 CA GLU A 30 3.464 -2.831 -9.915 1.00 0.00 C ATOM 434 C GLU A 30 2.550 -2.824 -8.693 1.00 0.00 C ATOM 435 O GLU A 30 2.990 -2.542 -7.579 1.00 0.00 O ATOM 436 CB GLU A 30 3.252 -1.555 -10.731 1.00 0.00 C ATOM 437 CG GLU A 30 4.508 -1.066 -11.434 1.00 0.00 C ATOM 438 CD GLU A 30 4.206 -0.326 -12.722 1.00 0.00 C ATOM 439 OE1 GLU A 30 3.772 0.843 -12.645 1.00 0.00 O ATOM 440 OE2 GLU A 30 4.402 -0.914 -13.805 1.00 0.00 O ATOM 0 H GLU A 30 3.139 -3.814 -11.738 1.00 0.00 H new ATOM 0 HA GLU A 30 4.499 -2.867 -9.574 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.476 -1.734 -11.475 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.886 -0.769 -10.071 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.062 -0.409 -10.764 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.153 -1.917 -11.651 1.00 0.00 H new ATOM 447 N GLU A 31 1.276 -3.135 -8.912 1.00 0.00 N ATOM 448 CA GLU A 31 0.300 -3.162 -7.829 1.00 0.00 C ATOM 449 C GLU A 31 0.350 -4.494 -7.085 1.00 0.00 C ATOM 450 O GLU A 31 0.360 -4.532 -5.855 1.00 0.00 O ATOM 451 CB GLU A 31 -1.108 -2.923 -8.376 1.00 0.00 C ATOM 452 CG GLU A 31 -1.313 -1.527 -8.940 1.00 0.00 C ATOM 453 CD GLU A 31 -0.230 -1.132 -9.926 1.00 0.00 C ATOM 454 OE1 GLU A 31 0.099 -1.952 -10.808 1.00 0.00 O ATOM 455 OE2 GLU A 31 0.288 -0.001 -9.814 1.00 0.00 O ATOM 0 H GLU A 31 0.896 -3.372 -9.829 1.00 0.00 H new ATOM 0 HA GLU A 31 0.550 -2.365 -7.129 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.314 -3.655 -9.157 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.832 -3.094 -7.579 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.284 -1.477 -9.433 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.334 -0.808 -8.121 1.00 0.00 H new ATOM 462 N LYS A 32 0.379 -5.586 -7.842 1.00 0.00 N ATOM 463 CA LYS A 32 0.428 -6.921 -7.257 1.00 0.00 C ATOM 464 C LYS A 32 1.600 -7.049 -6.289 1.00 0.00 C ATOM 465 O LYS A 32 1.570 -7.865 -5.369 1.00 0.00 O ATOM 466 CB LYS A 32 0.544 -7.978 -8.358 1.00 0.00 C ATOM 467 CG LYS A 32 -0.638 -7.996 -9.311 1.00 0.00 C ATOM 468 CD LYS A 32 -0.420 -8.976 -10.452 1.00 0.00 C ATOM 469 CE LYS A 32 -1.664 -9.112 -11.316 1.00 0.00 C ATOM 470 NZ LYS A 32 -2.575 -10.177 -10.813 1.00 0.00 N ATOM 0 H LYS A 32 0.369 -5.573 -8.862 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.497 -7.082 -6.703 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.456 -7.799 -8.927 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.644 -8.961 -7.897 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.542 -8.267 -8.766 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.796 -6.996 -9.714 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.416 -8.641 -11.066 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.148 -9.951 -10.048 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.196 -8.161 -11.340 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.371 -9.339 -12.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.394 -10.261 -11.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.066 -11.083 -10.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.902 -9.931 -9.857 1.00 0.00 H new ATOM 484 N GLN A 33 2.629 -6.236 -6.503 1.00 0.00 N ATOM 485 CA GLN A 33 3.810 -6.258 -5.648 1.00 0.00 C ATOM 486 C GLN A 33 3.544 -5.535 -4.332 1.00 0.00 C ATOM 487 O GLN A 33 4.210 -5.786 -3.329 1.00 0.00 O ATOM 488 CB GLN A 33 4.998 -5.615 -6.366 1.00 0.00 C ATOM 489 CG GLN A 33 5.645 -6.519 -7.403 1.00 0.00 C ATOM 490 CD GLN A 33 7.044 -6.070 -7.778 1.00 0.00 C ATOM 491 OE1 GLN A 33 7.765 -5.500 -6.959 1.00 0.00 O ATOM 492 NE2 GLN A 33 7.434 -6.326 -9.021 1.00 0.00 N ATOM 0 H GLN A 33 2.669 -5.554 -7.261 1.00 0.00 H new ATOM 0 HA GLN A 33 4.048 -7.299 -5.428 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.665 -4.698 -6.853 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.747 -5.330 -5.627 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.686 -7.537 -7.017 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.023 -6.542 -8.298 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.803 -6.801 -9.666 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.365 -6.048 -9.331 1.00 0.00 H new ATOM 501 N ALA A 34 2.566 -4.635 -4.345 1.00 0.00 N ATOM 502 CA ALA A 34 2.210 -3.877 -3.152 1.00 0.00 C ATOM 503 C ALA A 34 0.891 -4.365 -2.564 1.00 0.00 C ATOM 504 O ALA A 34 0.543 -4.027 -1.432 1.00 0.00 O ATOM 505 CB ALA A 34 2.129 -2.392 -3.476 1.00 0.00 C ATOM 0 H ALA A 34 2.006 -4.413 -5.168 1.00 0.00 H new ATOM 0 HA ALA A 34 2.989 -4.034 -2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.862 -1.837 -2.576 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.096 -2.046 -3.842 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.371 -2.227 -4.242 1.00 0.00 H new ATOM 511 N ILE A 35 0.161 -5.160 -3.339 1.00 0.00 N ATOM 512 CA ILE A 35 -1.119 -5.695 -2.893 1.00 0.00 C ATOM 513 C ILE A 35 -1.226 -7.187 -3.191 1.00 0.00 C ATOM 514 O ILE A 35 -2.244 -7.676 -3.680 1.00 0.00 O ATOM 515 CB ILE A 35 -2.298 -4.964 -3.563 1.00 0.00 C ATOM 516 CG1 ILE A 35 -2.011 -3.464 -3.654 1.00 0.00 C ATOM 517 CG2 ILE A 35 -3.585 -5.216 -2.791 1.00 0.00 C ATOM 518 CD1 ILE A 35 -2.028 -2.763 -2.314 1.00 0.00 C ATOM 0 H ILE A 35 0.434 -5.448 -4.279 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.168 -5.538 -1.816 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.421 -5.354 -4.574 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.037 -3.316 -4.120 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.750 -3.000 -4.307 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.409 -4.693 -3.277 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.795 -6.285 -2.772 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.474 -4.850 -1.770 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.817 -1.703 -2.455 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.010 -2.879 -1.855 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.270 -3.201 -1.665 1.00 0.00 H new ATOM 530 N PRO A 36 -0.151 -7.929 -2.887 1.00 0.00 N ATOM 531 CA PRO A 36 -0.099 -9.376 -3.112 1.00 0.00 C ATOM 532 C PRO A 36 -1.017 -10.143 -2.165 1.00 0.00 C ATOM 533 O PRO A 36 -1.115 -11.367 -2.237 1.00 0.00 O ATOM 534 CB PRO A 36 1.366 -9.726 -2.836 1.00 0.00 C ATOM 535 CG PRO A 36 1.843 -8.659 -1.913 1.00 0.00 C ATOM 536 CD PRO A 36 1.098 -7.412 -2.302 1.00 0.00 C ATOM 0 HA PRO A 36 -0.434 -9.645 -4.114 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.459 -10.713 -2.382 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.949 -9.743 -3.757 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.645 -8.924 -0.874 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.920 -8.515 -2.006 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.904 -6.774 -1.440 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.661 -6.815 -3.020 1.00 0.00 H new ATOM 544 N GLU A 37 -1.687 -9.413 -1.278 1.00 0.00 N ATOM 545 CA GLU A 37 -2.597 -10.026 -0.318 1.00 0.00 C ATOM 546 C GLU A 37 -3.842 -10.565 -1.015 1.00 0.00 C ATOM 547 O GLU A 37 -4.334 -11.644 -0.684 1.00 0.00 O ATOM 548 CB GLU A 37 -2.998 -9.013 0.756 1.00 0.00 C ATOM 549 CG GLU A 37 -4.375 -9.265 1.347 1.00 0.00 C ATOM 550 CD GLU A 37 -4.429 -10.531 2.181 1.00 0.00 C ATOM 551 OE1 GLU A 37 -3.707 -11.493 1.845 1.00 0.00 O ATOM 552 OE2 GLU A 37 -5.194 -10.560 3.167 1.00 0.00 O ATOM 0 H GLU A 37 -1.617 -8.398 -1.205 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.078 -10.860 0.155 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.259 -9.034 1.557 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.974 -8.012 0.326 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.662 -8.414 1.965 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.105 -9.334 0.541 1.00 0.00 H new ATOM 559 N PHE A 38 -4.347 -9.806 -1.981 1.00 0.00 N ATOM 560 CA PHE A 38 -5.536 -10.206 -2.725 1.00 0.00 C ATOM 561 C PHE A 38 -5.160 -11.045 -3.943 1.00 0.00 C ATOM 562 O PHE A 38 -6.026 -11.588 -4.628 1.00 0.00 O ATOM 563 CB PHE A 38 -6.326 -8.972 -3.166 1.00 0.00 C ATOM 564 CG PHE A 38 -7.356 -8.530 -2.166 1.00 0.00 C ATOM 565 CD1 PHE A 38 -8.443 -9.336 -1.868 1.00 0.00 C ATOM 566 CD2 PHE A 38 -7.237 -7.308 -1.524 1.00 0.00 C ATOM 567 CE1 PHE A 38 -9.392 -8.933 -0.948 1.00 0.00 C ATOM 568 CE2 PHE A 38 -8.183 -6.899 -0.603 1.00 0.00 C ATOM 569 CZ PHE A 38 -9.262 -7.712 -0.315 1.00 0.00 C ATOM 0 H PHE A 38 -3.952 -8.910 -2.267 1.00 0.00 H new ATOM 0 HA PHE A 38 -6.159 -10.812 -2.067 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.632 -8.152 -3.347 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -6.820 -9.186 -4.114 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -8.550 -10.291 -2.361 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.396 -6.668 -1.746 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -10.234 -9.571 -0.724 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -8.079 -5.944 -0.109 1.00 0.00 H new ATOM 0 HZ PHE A 38 -10.003 -7.394 0.404 1.00 0.00 H new ATOM 579 N PHE A 39 -3.861 -11.146 -4.205 1.00 0.00 N ATOM 580 CA PHE A 39 -3.369 -11.917 -5.341 1.00 0.00 C ATOM 581 C PHE A 39 -2.722 -13.219 -4.875 1.00 0.00 C ATOM 582 O PHE A 39 -1.954 -13.839 -5.609 1.00 0.00 O ATOM 583 CB PHE A 39 -2.361 -11.094 -6.145 1.00 0.00 C ATOM 584 CG PHE A 39 -2.911 -9.784 -6.633 1.00 0.00 C ATOM 585 CD1 PHE A 39 -4.004 -9.750 -7.483 1.00 0.00 C ATOM 586 CD2 PHE A 39 -2.334 -8.586 -6.241 1.00 0.00 C ATOM 587 CE1 PHE A 39 -4.513 -8.546 -7.933 1.00 0.00 C ATOM 588 CE2 PHE A 39 -2.838 -7.380 -6.688 1.00 0.00 C ATOM 589 CZ PHE A 39 -3.928 -7.360 -7.536 1.00 0.00 C ATOM 0 H PHE A 39 -3.131 -10.704 -3.647 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.219 -12.161 -5.978 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.484 -10.903 -5.526 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.026 -11.680 -7.001 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.464 -10.675 -7.798 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.481 -8.596 -5.579 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.367 -8.533 -8.594 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.380 -6.453 -6.375 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.322 -6.418 -7.888 1.00 0.00 H new ATOM 599 N GLU A 40 -3.039 -13.624 -3.649 1.00 0.00 N ATOM 600 CA GLU A 40 -2.488 -14.851 -3.085 1.00 0.00 C ATOM 601 C GLU A 40 -3.070 -16.079 -3.779 1.00 0.00 C ATOM 602 O GLU A 40 -2.360 -17.045 -4.055 1.00 0.00 O ATOM 603 CB GLU A 40 -2.771 -14.919 -1.582 1.00 0.00 C ATOM 604 CG GLU A 40 -1.718 -14.228 -0.733 1.00 0.00 C ATOM 605 CD GLU A 40 -1.593 -14.836 0.651 1.00 0.00 C ATOM 606 OE1 GLU A 40 -0.893 -15.861 0.787 1.00 0.00 O ATOM 607 OE2 GLU A 40 -2.196 -14.288 1.597 1.00 0.00 O ATOM 0 H GLU A 40 -3.673 -13.121 -3.028 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.410 -14.842 -3.245 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.742 -14.465 -1.383 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.840 -15.964 -1.281 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.754 -14.285 -1.239 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.968 -13.171 -0.640 1.00 0.00 H new ATOM 614 N GLY A 41 -4.369 -16.033 -4.059 1.00 0.00 N ATOM 615 CA GLY A 41 -5.026 -17.148 -4.718 1.00 0.00 C ATOM 616 C GLY A 41 -5.996 -17.871 -3.805 1.00 0.00 C ATOM 617 O GLY A 41 -6.092 -19.098 -3.838 1.00 0.00 O ATOM 0 H GLY A 41 -4.978 -15.244 -3.842 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.560 -16.784 -5.595 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.273 -17.851 -5.073 1.00 0.00 H new ATOM 621 N ARG A 42 -6.715 -17.111 -2.986 1.00 0.00 N ATOM 622 CA ARG A 42 -7.680 -17.687 -2.058 1.00 0.00 C ATOM 623 C ARG A 42 -9.108 -17.381 -2.498 1.00 0.00 C ATOM 624 O ARG A 42 -9.326 -16.664 -3.475 1.00 0.00 O ATOM 625 CB ARG A 42 -7.444 -17.151 -0.645 1.00 0.00 C ATOM 626 CG ARG A 42 -5.983 -17.156 -0.227 1.00 0.00 C ATOM 627 CD ARG A 42 -5.521 -18.551 0.167 1.00 0.00 C ATOM 628 NE ARG A 42 -4.102 -18.580 0.512 1.00 0.00 N ATOM 629 CZ ARG A 42 -3.632 -18.268 1.715 1.00 0.00 C ATOM 630 NH1 ARG A 42 -4.464 -17.904 2.681 1.00 0.00 N ATOM 631 NH2 ARG A 42 -2.328 -18.319 1.952 1.00 0.00 N ATOM 0 H ARG A 42 -6.647 -16.094 -2.946 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.543 -18.768 -2.056 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.827 -16.132 -0.583 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.017 -17.750 0.062 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.368 -16.786 -1.047 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.841 -16.474 0.611 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.108 -18.901 1.016 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.708 -19.241 -0.656 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.436 -18.855 -0.210 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.467 -17.863 2.501 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.101 -17.665 3.604 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.685 -18.598 1.211 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.968 -18.079 2.876 1.00 0.00 H new ATOM 645 N GLN A 43 -10.077 -17.928 -1.771 1.00 0.00 N ATOM 646 CA GLN A 43 -11.484 -17.714 -2.088 1.00 0.00 C ATOM 647 C GLN A 43 -11.942 -16.335 -1.625 1.00 0.00 C ATOM 648 O GLN A 43 -12.119 -15.425 -2.434 1.00 0.00 O ATOM 649 CB GLN A 43 -12.346 -18.796 -1.437 1.00 0.00 C ATOM 650 CG GLN A 43 -13.830 -18.655 -1.737 1.00 0.00 C ATOM 651 CD GLN A 43 -14.679 -19.637 -0.955 1.00 0.00 C ATOM 652 OE1 GLN A 43 -15.010 -19.402 0.207 1.00 0.00 O ATOM 653 NE2 GLN A 43 -15.038 -20.747 -1.591 1.00 0.00 N ATOM 0 H GLN A 43 -9.913 -18.523 -0.959 1.00 0.00 H new ATOM 0 HA GLN A 43 -11.599 -17.771 -3.170 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -12.006 -19.774 -1.779 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -12.198 -18.766 -0.358 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -14.149 -17.639 -1.504 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -13.997 -18.805 -2.804 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -14.741 -20.901 -2.555 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -15.610 -21.445 -1.116 1.00 0.00 H new ATOM 662 N ALA A 44 -12.133 -16.188 -0.318 1.00 0.00 N ATOM 663 CA ALA A 44 -12.569 -14.920 0.253 1.00 0.00 C ATOM 664 C ALA A 44 -11.823 -13.749 -0.377 1.00 0.00 C ATOM 665 O ALA A 44 -12.415 -12.713 -0.680 1.00 0.00 O ATOM 666 CB ALA A 44 -12.371 -14.925 1.761 1.00 0.00 C ATOM 0 H ALA A 44 -11.992 -16.932 0.365 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.631 -14.798 0.038 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -12.701 -13.972 2.174 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -12.955 -15.733 2.202 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -11.315 -15.074 1.989 1.00 0.00 H new ATOM 672 N LYS A 45 -10.520 -13.920 -0.572 1.00 0.00 N ATOM 673 CA LYS A 45 -9.692 -12.878 -1.167 1.00 0.00 C ATOM 674 C LYS A 45 -9.642 -13.022 -2.685 1.00 0.00 C ATOM 675 O LYS A 45 -9.249 -14.065 -3.208 1.00 0.00 O ATOM 676 CB LYS A 45 -8.274 -12.934 -0.592 1.00 0.00 C ATOM 677 CG LYS A 45 -8.207 -12.616 0.891 1.00 0.00 C ATOM 678 CD LYS A 45 -6.784 -12.314 1.332 1.00 0.00 C ATOM 679 CE LYS A 45 -6.001 -13.589 1.601 1.00 0.00 C ATOM 680 NZ LYS A 45 -6.345 -14.184 2.922 1.00 0.00 N ATOM 0 H LYS A 45 -10.014 -14.771 -0.326 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.138 -11.913 -0.926 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.861 -13.929 -0.761 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.643 -12.231 -1.135 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.846 -11.761 1.110 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.595 -13.459 1.463 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.279 -11.732 0.561 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.804 -11.701 2.233 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.205 -14.313 0.812 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.933 -13.373 1.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.753 -15.023 3.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.175 -13.485 3.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.348 -14.461 2.928 1.00 0.00 H new ATOM 694 N THR A 46 -10.042 -11.967 -3.388 1.00 0.00 N ATOM 695 CA THR A 46 -10.043 -11.976 -4.846 1.00 0.00 C ATOM 696 C THR A 46 -9.542 -10.649 -5.404 1.00 0.00 C ATOM 697 O THR A 46 -9.692 -9.593 -4.789 1.00 0.00 O ATOM 698 CB THR A 46 -11.450 -12.257 -5.405 1.00 0.00 C ATOM 699 OG1 THR A 46 -12.275 -11.094 -5.262 1.00 0.00 O ATOM 700 CG2 THR A 46 -12.094 -13.433 -4.686 1.00 0.00 C ATOM 0 H THR A 46 -10.369 -11.095 -2.971 1.00 0.00 H new ATOM 0 HA THR A 46 -9.370 -12.775 -5.158 1.00 0.00 H new ATOM 0 HB THR A 46 -11.354 -12.507 -6.462 1.00 0.00 H new ATOM 0 HG1 THR A 46 -13.168 -11.280 -5.621 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.087 -13.612 -5.098 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.479 -14.323 -4.821 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.178 -13.208 -3.623 1.00 0.00 H new ATOM 708 N PRO A 47 -8.932 -10.701 -6.598 1.00 0.00 N ATOM 709 CA PRO A 47 -8.397 -9.511 -7.266 1.00 0.00 C ATOM 710 C PRO A 47 -9.499 -8.579 -7.759 1.00 0.00 C ATOM 711 O PRO A 47 -9.267 -7.390 -7.976 1.00 0.00 O ATOM 712 CB PRO A 47 -7.616 -10.089 -8.449 1.00 0.00 C ATOM 713 CG PRO A 47 -8.260 -11.404 -8.721 1.00 0.00 C ATOM 714 CD PRO A 47 -8.718 -11.925 -7.387 1.00 0.00 C ATOM 0 HA PRO A 47 -7.791 -8.904 -6.594 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.671 -9.434 -9.318 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.560 -10.208 -8.206 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.101 -11.293 -9.406 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.557 -12.093 -9.189 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -9.633 -12.510 -7.477 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -7.969 -12.572 -6.930 1.00 0.00 H new ATOM 722 N GLU A 48 -10.697 -9.127 -7.934 1.00 0.00 N ATOM 723 CA GLU A 48 -11.834 -8.343 -8.402 1.00 0.00 C ATOM 724 C GLU A 48 -12.319 -7.385 -7.318 1.00 0.00 C ATOM 725 O GLU A 48 -12.910 -6.346 -7.611 1.00 0.00 O ATOM 726 CB GLU A 48 -12.977 -9.266 -8.830 1.00 0.00 C ATOM 727 CG GLU A 48 -12.758 -9.919 -10.185 1.00 0.00 C ATOM 728 CD GLU A 48 -13.914 -10.809 -10.597 1.00 0.00 C ATOM 729 OE1 GLU A 48 -15.020 -10.276 -10.829 1.00 0.00 O ATOM 730 OE2 GLU A 48 -13.713 -12.038 -10.689 1.00 0.00 O ATOM 0 H GLU A 48 -10.905 -10.110 -7.759 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.508 -7.757 -9.261 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.105 -10.044 -8.078 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.904 -8.693 -8.858 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.614 -9.145 -10.938 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.842 -10.509 -10.156 1.00 0.00 H new ATOM 737 N ARG A 49 -12.063 -7.743 -6.063 1.00 0.00 N ATOM 738 CA ARG A 49 -12.474 -6.917 -4.934 1.00 0.00 C ATOM 739 C ARG A 49 -11.504 -5.758 -4.727 1.00 0.00 C ATOM 740 O ARG A 49 -11.918 -4.615 -4.537 1.00 0.00 O ATOM 741 CB ARG A 49 -12.557 -7.761 -3.661 1.00 0.00 C ATOM 742 CG ARG A 49 -13.409 -7.135 -2.569 1.00 0.00 C ATOM 743 CD ARG A 49 -13.244 -7.865 -1.246 1.00 0.00 C ATOM 744 NE ARG A 49 -14.453 -7.798 -0.430 1.00 0.00 N ATOM 745 CZ ARG A 49 -14.690 -8.603 0.601 1.00 0.00 C ATOM 746 NH1 ARG A 49 -13.805 -9.530 0.938 1.00 0.00 N ATOM 747 NH2 ARG A 49 -15.814 -8.480 1.295 1.00 0.00 N ATOM 0 H ARG A 49 -11.573 -8.599 -5.803 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.460 -6.508 -5.155 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.964 -8.741 -3.911 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.550 -7.923 -3.276 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.132 -6.088 -2.445 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -14.457 -7.154 -2.868 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.993 -8.908 -1.437 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -12.410 -7.432 -0.694 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.154 -7.095 -0.664 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.940 -9.627 0.406 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.989 -10.147 1.729 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -16.497 -7.767 1.038 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.995 -9.098 2.086 1.00 0.00 H new ATOM 761 N TYR A 50 -10.211 -6.063 -4.763 1.00 0.00 N ATOM 762 CA TYR A 50 -9.181 -5.047 -4.576 1.00 0.00 C ATOM 763 C TYR A 50 -9.356 -3.904 -5.572 1.00 0.00 C ATOM 764 O TYR A 50 -9.058 -2.749 -5.267 1.00 0.00 O ATOM 765 CB TYR A 50 -7.791 -5.666 -4.732 1.00 0.00 C ATOM 766 CG TYR A 50 -6.724 -4.667 -5.118 1.00 0.00 C ATOM 767 CD1 TYR A 50 -6.172 -3.811 -4.173 1.00 0.00 C ATOM 768 CD2 TYR A 50 -6.267 -4.580 -6.427 1.00 0.00 C ATOM 769 CE1 TYR A 50 -5.197 -2.896 -4.522 1.00 0.00 C ATOM 770 CE2 TYR A 50 -5.291 -3.670 -6.784 1.00 0.00 C ATOM 771 CZ TYR A 50 -4.760 -2.830 -5.828 1.00 0.00 C ATOM 772 OH TYR A 50 -3.787 -1.921 -6.179 1.00 0.00 O ATOM 0 H TYR A 50 -9.851 -7.005 -4.920 1.00 0.00 H new ATOM 0 HA TYR A 50 -9.282 -4.645 -3.568 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -7.508 -6.144 -3.794 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -7.834 -6.450 -5.488 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.511 -3.862 -3.149 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.682 -5.235 -7.179 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.780 -2.236 -3.776 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.946 -3.617 -7.806 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.690 -1.254 -5.467 1.00 0.00 H new ATOM 782 N LEU A 51 -9.842 -4.235 -6.763 1.00 0.00 N ATOM 783 CA LEU A 51 -10.059 -3.238 -7.805 1.00 0.00 C ATOM 784 C LEU A 51 -11.139 -2.243 -7.391 1.00 0.00 C ATOM 785 O LEU A 51 -10.910 -1.033 -7.373 1.00 0.00 O ATOM 786 CB LEU A 51 -10.453 -3.919 -9.117 1.00 0.00 C ATOM 787 CG LEU A 51 -9.301 -4.301 -10.047 1.00 0.00 C ATOM 788 CD1 LEU A 51 -9.821 -5.068 -11.253 1.00 0.00 C ATOM 789 CD2 LEU A 51 -8.539 -3.060 -10.490 1.00 0.00 C ATOM 0 H LEU A 51 -10.093 -5.186 -7.031 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.126 -2.694 -7.951 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.017 -4.821 -8.880 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.127 -3.256 -9.659 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.616 -4.947 -9.499 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.987 -5.332 -11.904 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.321 -5.977 -10.918 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.528 -4.446 -11.803 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.723 -3.351 -11.151 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.214 -2.389 -11.021 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.134 -2.551 -9.616 1.00 0.00 H new ATOM 801 N LYS A 52 -12.316 -2.761 -7.056 1.00 0.00 N ATOM 802 CA LYS A 52 -13.431 -1.920 -6.638 1.00 0.00 C ATOM 803 C LYS A 52 -12.957 -0.813 -5.701 1.00 0.00 C ATOM 804 O LYS A 52 -13.093 0.372 -6.007 1.00 0.00 O ATOM 805 CB LYS A 52 -14.502 -2.765 -5.946 1.00 0.00 C ATOM 806 CG LYS A 52 -15.538 -3.336 -6.900 1.00 0.00 C ATOM 807 CD LYS A 52 -16.579 -2.297 -7.280 1.00 0.00 C ATOM 808 CE LYS A 52 -17.590 -2.086 -6.163 1.00 0.00 C ATOM 809 NZ LYS A 52 -18.522 -0.964 -6.464 1.00 0.00 N ATOM 0 H LYS A 52 -12.522 -3.760 -7.066 1.00 0.00 H new ATOM 0 HA LYS A 52 -13.859 -1.459 -7.528 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -14.019 -3.585 -5.415 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -15.007 -2.154 -5.198 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.043 -3.702 -7.799 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -16.029 -4.191 -6.436 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -16.085 -1.352 -7.508 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -17.097 -2.613 -8.186 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -18.161 -3.002 -6.012 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -17.064 -1.881 -5.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -19.195 -0.852 -5.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -17.980 -0.085 -6.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -19.043 -1.171 -7.340 1.00 0.00 H new ATOM 823 N ILE A 53 -12.401 -1.208 -4.561 1.00 0.00 N ATOM 824 CA ILE A 53 -11.905 -0.249 -3.582 1.00 0.00 C ATOM 825 C ILE A 53 -10.987 0.779 -4.235 1.00 0.00 C ATOM 826 O ILE A 53 -11.221 1.984 -4.141 1.00 0.00 O ATOM 827 CB ILE A 53 -11.142 -0.951 -2.443 1.00 0.00 C ATOM 828 CG1 ILE A 53 -12.083 -1.868 -1.659 1.00 0.00 C ATOM 829 CG2 ILE A 53 -10.505 0.077 -1.520 1.00 0.00 C ATOM 830 CD1 ILE A 53 -11.381 -3.037 -1.004 1.00 0.00 C ATOM 0 H ILE A 53 -12.283 -2.185 -4.293 1.00 0.00 H new ATOM 0 HA ILE A 53 -12.777 0.257 -3.167 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.350 -1.560 -2.878 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.591 -1.284 -0.892 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.852 -2.247 -2.332 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -9.969 -0.434 -0.720 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -9.808 0.693 -2.088 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -11.281 0.710 -1.090 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.109 -3.644 -0.466 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -10.896 -3.645 -1.768 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -10.631 -2.666 -0.305 1.00 0.00 H new ATOM 842 N ARG A 54 -9.943 0.294 -4.899 1.00 0.00 N ATOM 843 CA ARG A 54 -8.990 1.171 -5.569 1.00 0.00 C ATOM 844 C ARG A 54 -9.702 2.106 -6.542 1.00 0.00 C ATOM 845 O ARG A 54 -9.759 3.316 -6.325 1.00 0.00 O ATOM 846 CB ARG A 54 -7.941 0.344 -6.316 1.00 0.00 C ATOM 847 CG ARG A 54 -6.969 1.183 -7.128 1.00 0.00 C ATOM 848 CD ARG A 54 -6.051 0.313 -7.972 1.00 0.00 C ATOM 849 NE ARG A 54 -6.654 -0.034 -9.256 1.00 0.00 N ATOM 850 CZ ARG A 54 -6.100 -0.870 -10.127 1.00 0.00 C ATOM 851 NH1 ARG A 54 -4.936 -1.443 -9.852 1.00 0.00 N ATOM 852 NH2 ARG A 54 -6.710 -1.136 -11.275 1.00 0.00 N ATOM 0 H ARG A 54 -9.736 -0.701 -4.987 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.494 1.774 -4.809 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.380 -0.251 -5.596 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.448 -0.355 -6.981 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -7.525 1.861 -7.775 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.371 1.800 -6.457 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.111 0.837 -8.143 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.812 -0.599 -7.425 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.550 0.389 -9.497 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.464 -1.242 -8.970 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.512 -2.085 -10.522 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.606 -0.698 -11.490 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.283 -1.778 -11.943 1.00 0.00 H new ATOM 866 N ASN A 55 -10.244 1.537 -7.613 1.00 0.00 N ATOM 867 CA ASN A 55 -10.951 2.320 -8.620 1.00 0.00 C ATOM 868 C ASN A 55 -11.733 3.459 -7.972 1.00 0.00 C ATOM 869 O ASN A 55 -11.791 4.567 -8.505 1.00 0.00 O ATOM 870 CB ASN A 55 -11.900 1.424 -9.418 1.00 0.00 C ATOM 871 CG ASN A 55 -11.218 0.770 -10.604 1.00 0.00 C ATOM 872 OD1 ASN A 55 -11.729 0.802 -11.724 1.00 0.00 O ATOM 873 ND2 ASN A 55 -10.056 0.173 -10.363 1.00 0.00 N ATOM 0 H ASN A 55 -10.207 0.536 -7.806 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.212 2.749 -9.297 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -12.303 0.652 -8.763 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -12.745 2.016 -9.769 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.550 -0.283 -11.122 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.670 0.171 -9.419 1.00 0.00 H new ATOM 880 N TYR A 56 -12.333 3.177 -6.821 1.00 0.00 N ATOM 881 CA TYR A 56 -13.113 4.177 -6.101 1.00 0.00 C ATOM 882 C TYR A 56 -12.210 5.272 -5.540 1.00 0.00 C ATOM 883 O TYR A 56 -12.449 6.460 -5.758 1.00 0.00 O ATOM 884 CB TYR A 56 -13.901 3.519 -4.966 1.00 0.00 C ATOM 885 CG TYR A 56 -14.939 4.427 -4.345 1.00 0.00 C ATOM 886 CD1 TYR A 56 -14.581 5.374 -3.393 1.00 0.00 C ATOM 887 CD2 TYR A 56 -16.276 4.336 -4.709 1.00 0.00 C ATOM 888 CE1 TYR A 56 -15.526 6.204 -2.822 1.00 0.00 C ATOM 889 CE2 TYR A 56 -17.228 5.163 -4.144 1.00 0.00 C ATOM 890 CZ TYR A 56 -16.848 6.096 -3.202 1.00 0.00 C ATOM 891 OH TYR A 56 -17.792 6.921 -2.636 1.00 0.00 O ATOM 0 H TYR A 56 -12.294 2.265 -6.367 1.00 0.00 H new ATOM 0 HA TYR A 56 -13.811 4.632 -6.804 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -14.394 2.625 -5.348 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -13.205 3.194 -4.193 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -13.547 5.462 -3.095 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -16.577 3.606 -5.446 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -15.232 6.934 -2.082 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -18.264 5.079 -4.438 1.00 0.00 H new ATOM 0 HH TYR A 56 -18.673 6.717 -3.013 1.00 0.00 H new ATOM 901 N ILE A 57 -11.173 4.862 -4.817 1.00 0.00 N ATOM 902 CA ILE A 57 -10.234 5.807 -4.227 1.00 0.00 C ATOM 903 C ILE A 57 -9.553 6.649 -5.300 1.00 0.00 C ATOM 904 O ILE A 57 -9.468 7.873 -5.184 1.00 0.00 O ATOM 905 CB ILE A 57 -9.156 5.085 -3.396 1.00 0.00 C ATOM 906 CG1 ILE A 57 -9.794 4.372 -2.202 1.00 0.00 C ATOM 907 CG2 ILE A 57 -8.099 6.073 -2.927 1.00 0.00 C ATOM 908 CD1 ILE A 57 -8.887 3.350 -1.554 1.00 0.00 C ATOM 0 H ILE A 57 -10.962 3.882 -4.626 1.00 0.00 H new ATOM 0 HA ILE A 57 -10.812 6.458 -3.571 1.00 0.00 H new ATOM 0 HB ILE A 57 -8.673 4.338 -4.025 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -10.082 5.114 -1.457 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -10.709 3.878 -2.530 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.344 5.548 -2.341 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.627 6.539 -3.792 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.567 6.841 -2.311 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -9.404 2.884 -0.715 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.619 2.586 -2.284 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.983 3.842 -1.195 1.00 0.00 H new ATOM 920 N LEU A 58 -9.070 5.987 -6.346 1.00 0.00 N ATOM 921 CA LEU A 58 -8.398 6.674 -7.443 1.00 0.00 C ATOM 922 C LEU A 58 -9.302 7.740 -8.054 1.00 0.00 C ATOM 923 O LEU A 58 -8.826 8.742 -8.587 1.00 0.00 O ATOM 924 CB LEU A 58 -7.975 5.671 -8.517 1.00 0.00 C ATOM 925 CG LEU A 58 -6.594 5.039 -8.339 1.00 0.00 C ATOM 926 CD1 LEU A 58 -6.431 3.842 -9.263 1.00 0.00 C ATOM 927 CD2 LEU A 58 -5.501 6.066 -8.596 1.00 0.00 C ATOM 0 H LEU A 58 -9.131 4.975 -6.457 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.510 7.163 -7.042 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.716 4.872 -8.552 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.001 6.173 -9.484 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.504 4.692 -7.310 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.442 3.406 -9.122 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.193 3.097 -9.032 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.541 4.164 -10.298 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.525 5.599 -8.465 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.589 6.444 -9.615 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.605 6.892 -7.893 1.00 0.00 H new ATOM 939 N ASP A 59 -10.609 7.517 -7.972 1.00 0.00 N ATOM 940 CA ASP A 59 -11.581 8.459 -8.514 1.00 0.00 C ATOM 941 C ASP A 59 -11.712 9.683 -7.613 1.00 0.00 C ATOM 942 O ASP A 59 -11.555 10.817 -8.066 1.00 0.00 O ATOM 943 CB ASP A 59 -12.944 7.782 -8.676 1.00 0.00 C ATOM 944 CG ASP A 59 -13.761 8.389 -9.800 1.00 0.00 C ATOM 945 OD1 ASP A 59 -14.378 9.451 -9.577 1.00 0.00 O ATOM 946 OD2 ASP A 59 -13.784 7.800 -10.901 1.00 0.00 O ATOM 0 H ASP A 59 -11.020 6.692 -7.535 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.227 8.786 -9.492 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.798 6.719 -8.870 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.500 7.863 -7.742 1.00 0.00 H new ATOM 951 N GLN A 60 -12.001 9.445 -6.338 1.00 0.00 N ATOM 952 CA GLN A 60 -12.154 10.529 -5.375 1.00 0.00 C ATOM 953 C GLN A 60 -10.915 11.419 -5.355 1.00 0.00 C ATOM 954 O GLN A 60 -11.021 12.645 -5.337 1.00 0.00 O ATOM 955 CB GLN A 60 -12.414 9.965 -3.977 1.00 0.00 C ATOM 956 CG GLN A 60 -13.722 9.200 -3.863 1.00 0.00 C ATOM 957 CD GLN A 60 -14.892 9.950 -4.470 1.00 0.00 C ATOM 958 OE1 GLN A 60 -15.269 11.023 -3.996 1.00 0.00 O ATOM 959 NE2 GLN A 60 -15.473 9.389 -5.523 1.00 0.00 N ATOM 0 H GLN A 60 -12.134 8.512 -5.948 1.00 0.00 H new ATOM 0 HA GLN A 60 -13.008 11.134 -5.680 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.591 9.305 -3.702 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -12.418 10.785 -3.259 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.618 8.235 -4.358 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -13.930 8.999 -2.812 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -15.128 8.499 -5.882 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.265 9.848 -5.973 1.00 0.00 H new ATOM 968 N TRP A 61 -9.744 10.793 -5.357 1.00 0.00 N ATOM 969 CA TRP A 61 -8.485 11.529 -5.339 1.00 0.00 C ATOM 970 C TRP A 61 -8.533 12.714 -6.297 1.00 0.00 C ATOM 971 O TRP A 61 -8.174 13.833 -5.932 1.00 0.00 O ATOM 972 CB TRP A 61 -7.325 10.604 -5.710 1.00 0.00 C ATOM 973 CG TRP A 61 -6.194 11.314 -6.391 1.00 0.00 C ATOM 974 CD1 TRP A 61 -5.651 11.013 -7.608 1.00 0.00 C ATOM 975 CD2 TRP A 61 -5.466 12.442 -5.894 1.00 0.00 C ATOM 976 NE1 TRP A 61 -4.630 11.886 -7.896 1.00 0.00 N ATOM 977 CE2 TRP A 61 -4.497 12.773 -6.861 1.00 0.00 C ATOM 978 CE3 TRP A 61 -5.541 13.207 -4.726 1.00 0.00 C ATOM 979 CZ2 TRP A 61 -3.611 13.833 -6.694 1.00 0.00 C ATOM 980 CZ3 TRP A 61 -4.660 14.259 -4.562 1.00 0.00 C ATOM 981 CH2 TRP A 61 -3.706 14.565 -5.541 1.00 0.00 C ATOM 0 H TRP A 61 -9.640 9.778 -5.371 1.00 0.00 H new ATOM 0 HA TRP A 61 -8.329 11.909 -4.329 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -6.951 10.122 -4.807 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -7.694 9.814 -6.363 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -5.976 10.207 -8.249 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -4.063 11.875 -8.744 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -6.274 12.980 -3.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.874 14.070 -7.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -4.708 14.856 -3.663 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -3.032 15.394 -5.383 1.00 0.00 H new ATOM 992 N GLU A 62 -8.978 12.461 -7.524 1.00 0.00 N ATOM 993 CA GLU A 62 -9.072 13.509 -8.533 1.00 0.00 C ATOM 994 C GLU A 62 -10.252 14.434 -8.250 1.00 0.00 C ATOM 995 O GLU A 62 -10.201 15.629 -8.540 1.00 0.00 O ATOM 996 CB GLU A 62 -9.215 12.894 -9.927 1.00 0.00 C ATOM 997 CG GLU A 62 -8.298 11.706 -10.165 1.00 0.00 C ATOM 998 CD GLU A 62 -6.960 12.111 -10.752 1.00 0.00 C ATOM 999 OE1 GLU A 62 -6.927 13.072 -11.549 1.00 0.00 O ATOM 1000 OE2 GLU A 62 -5.945 11.466 -10.414 1.00 0.00 O ATOM 0 H GLU A 62 -9.279 11.540 -7.843 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.155 14.097 -8.495 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.248 12.579 -10.072 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.007 13.659 -10.675 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.134 11.184 -9.222 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.788 11.003 -10.838 1.00 0.00 H new ATOM 1007 N ILE A 63 -11.314 13.871 -7.682 1.00 0.00 N ATOM 1008 CA ILE A 63 -12.506 14.645 -7.359 1.00 0.00 C ATOM 1009 C ILE A 63 -12.176 15.794 -6.412 1.00 0.00 C ATOM 1010 O ILE A 63 -12.940 16.753 -6.293 1.00 0.00 O ATOM 1011 CB ILE A 63 -13.593 13.762 -6.718 1.00 0.00 C ATOM 1012 CG1 ILE A 63 -14.237 12.861 -7.773 1.00 0.00 C ATOM 1013 CG2 ILE A 63 -14.645 14.626 -6.038 1.00 0.00 C ATOM 1014 CD1 ILE A 63 -15.102 11.767 -7.188 1.00 0.00 C ATOM 0 H ILE A 63 -11.373 12.883 -7.436 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.884 15.049 -8.298 1.00 0.00 H new ATOM 0 HB ILE A 63 -13.127 13.129 -5.963 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -14.843 13.473 -8.441 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.453 12.408 -8.379 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -15.406 13.987 -5.590 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -14.174 15.229 -5.262 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -15.109 15.281 -6.775 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -15.526 11.168 -7.994 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -14.497 11.131 -6.542 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -15.908 12.213 -6.605 1.00 0.00 H new ATOM 1026 N CYS A 64 -11.034 15.691 -5.741 1.00 0.00 N ATOM 1027 CA CYS A 64 -10.602 16.722 -4.804 1.00 0.00 C ATOM 1028 C CYS A 64 -9.292 17.356 -5.260 1.00 0.00 C ATOM 1029 O CYS A 64 -9.054 18.543 -5.040 1.00 0.00 O ATOM 1030 CB CYS A 64 -10.436 16.131 -3.404 1.00 0.00 C ATOM 1031 SG CYS A 64 -11.962 16.091 -2.434 1.00 0.00 S ATOM 0 H CYS A 64 -10.391 14.904 -5.828 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.369 17.496 -4.775 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -10.048 15.116 -3.493 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.689 16.711 -2.862 1.00 0.00 H new ATOM 0 HG CYS A 64 -11.721 15.572 -1.267 1.00 0.00 H new ATOM 1037 N LYS A 65 -8.443 16.555 -5.896 1.00 0.00 N ATOM 1038 CA LYS A 65 -7.155 17.036 -6.383 1.00 0.00 C ATOM 1039 C LYS A 65 -7.279 18.449 -6.943 1.00 0.00 C ATOM 1040 O LYS A 65 -8.347 18.877 -7.383 1.00 0.00 O ATOM 1041 CB LYS A 65 -6.611 16.095 -7.460 1.00 0.00 C ATOM 1042 CG LYS A 65 -7.031 16.475 -8.869 1.00 0.00 C ATOM 1043 CD LYS A 65 -6.384 15.573 -9.907 1.00 0.00 C ATOM 1044 CE LYS A 65 -4.920 15.929 -10.120 1.00 0.00 C ATOM 1045 NZ LYS A 65 -4.749 16.959 -11.183 1.00 0.00 N ATOM 0 H LYS A 65 -8.624 15.569 -6.086 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.461 17.057 -5.543 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.522 16.084 -7.405 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.951 15.081 -7.250 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.116 16.411 -8.956 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.756 17.511 -9.064 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.464 14.534 -9.588 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.922 15.659 -10.851 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.496 16.297 -9.186 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.364 15.032 -10.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.738 17.174 -11.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.131 16.598 -12.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.259 17.824 -10.913 1.00 0.00 H new ATOM 1059 N PRO A 66 -6.163 19.192 -6.930 1.00 0.00 N ATOM 1060 CA PRO A 66 -4.886 18.693 -6.408 1.00 0.00 C ATOM 1061 C PRO A 66 -4.907 18.520 -4.894 1.00 0.00 C ATOM 1062 O PRO A 66 -4.001 17.919 -4.315 1.00 0.00 O ATOM 1063 CB PRO A 66 -3.889 19.784 -6.808 1.00 0.00 C ATOM 1064 CG PRO A 66 -4.710 21.021 -6.930 1.00 0.00 C ATOM 1065 CD PRO A 66 -6.060 20.576 -7.421 1.00 0.00 C ATOM 0 HA PRO A 66 -4.641 17.707 -6.803 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.107 19.900 -6.058 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.394 19.543 -7.749 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.793 21.531 -5.970 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.254 21.725 -7.626 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.858 21.203 -7.025 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.128 20.623 -8.508 1.00 0.00 H new ATOM 1073 N LYS A 67 -5.946 19.049 -4.256 1.00 0.00 N ATOM 1074 CA LYS A 67 -6.086 18.952 -2.808 1.00 0.00 C ATOM 1075 C LYS A 67 -5.828 17.526 -2.331 1.00 0.00 C ATOM 1076 O LYS A 67 -6.037 16.566 -3.073 1.00 0.00 O ATOM 1077 CB LYS A 67 -7.485 19.399 -2.380 1.00 0.00 C ATOM 1078 CG LYS A 67 -7.662 20.908 -2.358 1.00 0.00 C ATOM 1079 CD LYS A 67 -7.369 21.523 -3.716 1.00 0.00 C ATOM 1080 CE LYS A 67 -7.821 22.974 -3.779 1.00 0.00 C ATOM 1081 NZ LYS A 67 -7.652 23.549 -5.143 1.00 0.00 N ATOM 0 H LYS A 67 -6.704 19.550 -4.720 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.346 19.609 -2.351 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.219 18.965 -3.059 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.696 19.002 -1.387 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.682 21.151 -2.060 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.999 21.342 -1.610 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.300 21.464 -3.920 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.874 20.949 -4.493 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.868 23.041 -3.484 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.249 23.564 -3.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.971 24.539 -5.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.649 23.508 -5.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.218 23.002 -5.823 1.00 0.00 H new ATOM 1095 N TYR A 68 -5.375 17.396 -1.089 1.00 0.00 N ATOM 1096 CA TYR A 68 -5.087 16.088 -0.514 1.00 0.00 C ATOM 1097 C TYR A 68 -6.370 15.284 -0.320 1.00 0.00 C ATOM 1098 O TYR A 68 -7.473 15.830 -0.375 1.00 0.00 O ATOM 1099 CB TYR A 68 -4.363 16.243 0.824 1.00 0.00 C ATOM 1100 CG TYR A 68 -4.167 14.938 1.562 1.00 0.00 C ATOM 1101 CD1 TYR A 68 -5.183 14.398 2.340 1.00 0.00 C ATOM 1102 CD2 TYR A 68 -2.965 14.246 1.482 1.00 0.00 C ATOM 1103 CE1 TYR A 68 -5.008 13.206 3.017 1.00 0.00 C ATOM 1104 CE2 TYR A 68 -2.781 13.053 2.154 1.00 0.00 C ATOM 1105 CZ TYR A 68 -3.806 12.537 2.920 1.00 0.00 C ATOM 1106 OH TYR A 68 -3.627 11.350 3.592 1.00 0.00 O ATOM 0 H TYR A 68 -5.199 18.181 -0.461 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.442 15.549 -1.208 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.390 16.702 0.650 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.929 16.927 1.457 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.126 14.919 2.417 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.160 14.648 0.884 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.808 12.801 3.619 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.840 12.527 2.080 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.976 10.797 3.111 1.00 0.00 H new ATOM 1116 N LEU A 69 -6.217 13.984 -0.094 1.00 0.00 N ATOM 1117 CA LEU A 69 -7.362 13.103 0.109 1.00 0.00 C ATOM 1118 C LEU A 69 -7.098 12.119 1.245 1.00 0.00 C ATOM 1119 O LEU A 69 -6.014 11.545 1.342 1.00 0.00 O ATOM 1120 CB LEU A 69 -7.678 12.341 -1.178 1.00 0.00 C ATOM 1121 CG LEU A 69 -8.702 11.211 -1.055 1.00 0.00 C ATOM 1122 CD1 LEU A 69 -10.114 11.750 -1.220 1.00 0.00 C ATOM 1123 CD2 LEU A 69 -8.421 10.123 -2.082 1.00 0.00 C ATOM 0 H LEU A 69 -5.312 13.517 -0.047 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.220 13.719 0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.040 13.054 -1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.749 11.922 -1.566 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.616 10.775 -0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.829 10.932 -1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.313 12.493 -0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.214 12.213 -2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.159 9.327 -1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.479 10.546 -3.085 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.423 9.716 -1.917 1.00 0.00 H new ATOM 1135 N ASN A 70 -8.097 11.928 2.100 1.00 0.00 N ATOM 1136 CA ASN A 70 -7.973 11.012 3.228 1.00 0.00 C ATOM 1137 C ASN A 70 -8.710 9.705 2.951 1.00 0.00 C ATOM 1138 O ASN A 70 -9.677 9.674 2.189 1.00 0.00 O ATOM 1139 CB ASN A 70 -8.520 11.660 4.501 1.00 0.00 C ATOM 1140 CG ASN A 70 -9.722 12.544 4.229 1.00 0.00 C ATOM 1141 OD1 ASN A 70 -9.608 13.584 3.580 1.00 0.00 O ATOM 1142 ND2 ASN A 70 -10.883 12.133 4.725 1.00 0.00 N ATOM 0 H ASN A 70 -9.001 12.395 2.033 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.915 10.789 3.368 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.798 10.881 5.211 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.735 12.253 4.970 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -11.727 12.686 4.574 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -10.931 11.264 5.257 1.00 0.00 H new ATOM 1149 N LYS A 71 -8.248 8.628 3.575 1.00 0.00 N ATOM 1150 CA LYS A 71 -8.863 7.318 3.399 1.00 0.00 C ATOM 1151 C LYS A 71 -10.314 7.330 3.871 1.00 0.00 C ATOM 1152 O LYS A 71 -11.164 6.632 3.318 1.00 0.00 O ATOM 1153 CB LYS A 71 -8.075 6.254 4.167 1.00 0.00 C ATOM 1154 CG LYS A 71 -7.983 6.523 5.659 1.00 0.00 C ATOM 1155 CD LYS A 71 -7.495 5.300 6.417 1.00 0.00 C ATOM 1156 CE LYS A 71 -8.635 4.340 6.719 1.00 0.00 C ATOM 1157 NZ LYS A 71 -9.524 4.855 7.798 1.00 0.00 N ATOM 0 H LYS A 71 -7.448 8.636 4.208 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.847 7.077 2.336 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.544 5.283 4.010 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.068 6.192 3.755 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.305 7.358 5.838 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.961 6.820 6.037 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.732 4.788 5.831 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.024 5.612 7.349 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.220 4.175 5.814 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.227 3.374 7.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.125 4.083 8.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.944 5.226 8.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.124 5.616 7.420 1.00 0.00 H new ATOM 1171 N THR A 72 -10.591 8.130 4.896 1.00 0.00 N ATOM 1172 CA THR A 72 -11.938 8.233 5.442 1.00 0.00 C ATOM 1173 C THR A 72 -12.863 8.980 4.487 1.00 0.00 C ATOM 1174 O THR A 72 -14.079 9.004 4.677 1.00 0.00 O ATOM 1175 CB THR A 72 -11.939 8.951 6.805 1.00 0.00 C ATOM 1176 OG1 THR A 72 -10.839 8.494 7.600 1.00 0.00 O ATOM 1177 CG2 THR A 72 -13.244 8.704 7.546 1.00 0.00 C ATOM 0 H THR A 72 -9.900 8.716 5.365 1.00 0.00 H new ATOM 0 HA THR A 72 -12.303 7.215 5.576 1.00 0.00 H new ATOM 0 HB THR A 72 -11.838 10.022 6.627 1.00 0.00 H new ATOM 0 HG1 THR A 72 -10.846 8.956 8.464 1.00 0.00 H new ATOM 0 HG21 THR A 72 -13.221 9.221 8.505 1.00 0.00 H new ATOM 0 HG22 THR A 72 -14.077 9.079 6.951 1.00 0.00 H new ATOM 0 HG23 THR A 72 -13.371 7.634 7.713 1.00 0.00 H new ATOM 1185 N SER A 73 -12.278 9.587 3.459 1.00 0.00 N ATOM 1186 CA SER A 73 -13.050 10.337 2.475 1.00 0.00 C ATOM 1187 C SER A 73 -13.927 9.404 1.646 1.00 0.00 C ATOM 1188 O SER A 73 -15.039 9.762 1.256 1.00 0.00 O ATOM 1189 CB SER A 73 -12.115 11.126 1.556 1.00 0.00 C ATOM 1190 OG SER A 73 -12.845 11.815 0.556 1.00 0.00 O ATOM 0 H SER A 73 -11.273 9.574 3.286 1.00 0.00 H new ATOM 0 HA SER A 73 -13.695 11.033 3.011 1.00 0.00 H new ATOM 0 HB2 SER A 73 -11.537 11.838 2.145 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.402 10.447 1.088 1.00 0.00 H new ATOM 0 HG SER A 73 -12.367 12.634 0.308 1.00 0.00 H new ATOM 1196 N VAL A 74 -13.419 8.205 1.381 1.00 0.00 N ATOM 1197 CA VAL A 74 -14.156 7.218 0.600 1.00 0.00 C ATOM 1198 C VAL A 74 -14.861 6.215 1.505 1.00 0.00 C ATOM 1199 O VAL A 74 -15.386 5.204 1.039 1.00 0.00 O ATOM 1200 CB VAL A 74 -13.226 6.458 -0.364 1.00 0.00 C ATOM 1201 CG1 VAL A 74 -12.345 7.430 -1.135 1.00 0.00 C ATOM 1202 CG2 VAL A 74 -12.380 5.448 0.397 1.00 0.00 C ATOM 0 H VAL A 74 -12.500 7.893 1.695 1.00 0.00 H new ATOM 0 HA VAL A 74 -14.900 7.765 0.021 1.00 0.00 H new ATOM 0 HB VAL A 74 -13.841 5.915 -1.082 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.695 6.874 -1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -12.972 8.110 -1.712 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.736 8.003 -0.435 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -11.729 4.920 -0.300 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -11.773 5.967 1.139 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -13.031 4.732 0.898 1.00 0.00 H new ATOM 1212 N ARG A 75 -14.869 6.502 2.803 1.00 0.00 N ATOM 1213 CA ARG A 75 -15.509 5.624 3.775 1.00 0.00 C ATOM 1214 C ARG A 75 -16.964 5.363 3.397 1.00 0.00 C ATOM 1215 O ARG A 75 -17.381 4.224 3.187 1.00 0.00 O ATOM 1216 CB ARG A 75 -15.437 6.239 5.174 1.00 0.00 C ATOM 1217 CG ARG A 75 -14.212 5.811 5.966 1.00 0.00 C ATOM 1218 CD ARG A 75 -14.495 4.575 6.806 1.00 0.00 C ATOM 1219 NE ARG A 75 -15.793 4.652 7.471 1.00 0.00 N ATOM 1220 CZ ARG A 75 -16.008 5.340 8.587 1.00 0.00 C ATOM 1221 NH1 ARG A 75 -15.016 6.008 9.159 1.00 0.00 N ATOM 1222 NH2 ARG A 75 -17.218 5.361 9.132 1.00 0.00 N ATOM 0 H ARG A 75 -14.440 7.335 3.205 1.00 0.00 H new ATOM 0 HA ARG A 75 -14.976 4.673 3.775 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -15.440 7.325 5.085 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -16.333 5.963 5.730 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.388 5.606 5.282 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.893 6.627 6.614 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.465 3.690 6.171 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.711 4.457 7.554 1.00 0.00 H new ATOM 0 HE ARG A 75 -16.578 4.150 7.056 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.085 5.995 8.742 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -15.184 6.535 10.016 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.984 4.849 8.694 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -17.382 5.889 9.989 1.00 0.00 H new ATOM 1236 N PRO A 76 -17.755 6.442 3.308 1.00 0.00 N ATOM 1237 CA PRO A 76 -19.175 6.355 2.955 1.00 0.00 C ATOM 1238 C PRO A 76 -19.387 5.958 1.497 1.00 0.00 C ATOM 1239 O PRO A 76 -19.329 6.798 0.600 1.00 0.00 O ATOM 1240 CB PRO A 76 -19.690 7.775 3.202 1.00 0.00 C ATOM 1241 CG PRO A 76 -18.489 8.644 3.053 1.00 0.00 C ATOM 1242 CD PRO A 76 -17.324 7.830 3.545 1.00 0.00 C ATOM 0 HA PRO A 76 -19.693 5.592 3.536 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -20.466 8.045 2.485 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -20.127 7.870 4.196 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -18.347 8.939 2.013 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -18.597 9.561 3.632 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -16.410 8.066 3.000 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -17.122 8.014 4.600 1.00 0.00 H new ATOM 1250 N GLY A 77 -19.633 4.672 1.269 1.00 0.00 N ATOM 1251 CA GLY A 77 -19.850 4.186 -0.082 1.00 0.00 C ATOM 1252 C GLY A 77 -19.662 2.687 -0.196 1.00 0.00 C ATOM 1253 O GLY A 77 -20.629 1.943 -0.369 1.00 0.00 O ATOM 0 H GLY A 77 -19.686 3.958 1.995 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -20.859 4.448 -0.401 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -19.160 4.688 -0.761 1.00 0.00 H new ATOM 1257 N LEU A 78 -18.414 2.240 -0.101 1.00 0.00 N ATOM 1258 CA LEU A 78 -18.101 0.818 -0.197 1.00 0.00 C ATOM 1259 C LEU A 78 -18.361 0.113 1.131 1.00 0.00 C ATOM 1260 O LEU A 78 -17.436 -0.144 1.901 1.00 0.00 O ATOM 1261 CB LEU A 78 -16.643 0.624 -0.614 1.00 0.00 C ATOM 1262 CG LEU A 78 -16.247 1.215 -1.967 1.00 0.00 C ATOM 1263 CD1 LEU A 78 -14.738 1.165 -2.151 1.00 0.00 C ATOM 1264 CD2 LEU A 78 -16.948 0.476 -3.098 1.00 0.00 C ATOM 0 H LEU A 78 -17.603 2.842 0.042 1.00 0.00 H new ATOM 0 HA LEU A 78 -18.750 0.378 -0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -16.005 1.064 0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -16.430 -0.445 -0.631 1.00 0.00 H new ATOM 0 HG LEU A 78 -16.561 2.258 -1.991 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -14.475 1.590 -3.120 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.256 1.739 -1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.400 0.130 -2.105 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -16.654 0.910 -4.054 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -16.665 -0.576 -3.075 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -18.028 0.564 -2.976 1.00 0.00 H new ATOM 1276 N LYS A 79 -19.626 -0.200 1.391 1.00 0.00 N ATOM 1277 CA LYS A 79 -20.009 -0.879 2.623 1.00 0.00 C ATOM 1278 C LYS A 79 -19.989 -2.393 2.439 1.00 0.00 C ATOM 1279 O LYS A 79 -19.553 -3.130 3.322 1.00 0.00 O ATOM 1280 CB LYS A 79 -21.401 -0.426 3.068 1.00 0.00 C ATOM 1281 CG LYS A 79 -21.470 1.042 3.451 1.00 0.00 C ATOM 1282 CD LYS A 79 -20.821 1.297 4.801 1.00 0.00 C ATOM 1283 CE LYS A 79 -21.721 0.855 5.945 1.00 0.00 C ATOM 1284 NZ LYS A 79 -20.936 0.446 7.142 1.00 0.00 N ATOM 0 H LYS A 79 -20.404 0.006 0.764 1.00 0.00 H new ATOM 0 HA LYS A 79 -19.285 -0.615 3.394 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -22.110 -0.616 2.263 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -21.715 -1.030 3.919 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -20.973 1.642 2.688 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -22.511 1.363 3.480 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -19.872 0.763 4.856 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -20.596 2.359 4.903 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -22.394 1.669 6.213 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -22.343 0.022 5.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -21.585 0.152 7.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -20.312 -0.348 6.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -20.361 1.248 7.471 1.00 0.00 H new ATOM 1298 N ASN A 80 -20.463 -2.850 1.284 1.00 0.00 N ATOM 1299 CA ASN A 80 -20.500 -4.277 0.984 1.00 0.00 C ATOM 1300 C ASN A 80 -19.093 -4.818 0.746 1.00 0.00 C ATOM 1301 O ASN A 80 -18.737 -5.889 1.239 1.00 0.00 O ATOM 1302 CB ASN A 80 -21.374 -4.539 -0.244 1.00 0.00 C ATOM 1303 CG ASN A 80 -21.192 -3.485 -1.319 1.00 0.00 C ATOM 1304 OD1 ASN A 80 -21.548 -2.322 -1.131 1.00 0.00 O ATOM 1305 ND2 ASN A 80 -20.634 -3.889 -2.454 1.00 0.00 N ATOM 0 H ASN A 80 -20.827 -2.253 0.541 1.00 0.00 H new ATOM 0 HA ASN A 80 -20.929 -4.793 1.843 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -21.133 -5.519 -0.656 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -22.421 -4.569 0.058 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -20.485 -3.225 -3.214 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -20.354 -4.863 -2.566 1.00 0.00 H new ATOM 1312 N CYS A 81 -18.299 -4.071 -0.013 1.00 0.00 N ATOM 1313 CA CYS A 81 -16.931 -4.476 -0.317 1.00 0.00 C ATOM 1314 C CYS A 81 -15.932 -3.701 0.536 1.00 0.00 C ATOM 1315 O CYS A 81 -16.061 -2.491 0.716 1.00 0.00 O ATOM 1316 CB CYS A 81 -16.630 -4.257 -1.801 1.00 0.00 C ATOM 1317 SG CYS A 81 -17.305 -5.536 -2.887 1.00 0.00 S ATOM 0 H CYS A 81 -18.578 -3.183 -0.429 1.00 0.00 H new ATOM 0 HA CYS A 81 -16.833 -5.537 -0.086 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -17.031 -3.290 -2.103 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -15.550 -4.211 -1.939 1.00 0.00 H new ATOM 0 HG CYS A 81 -17.001 -5.263 -4.121 1.00 0.00 H new ATOM 1323 N GLY A 82 -14.936 -4.408 1.061 1.00 0.00 N ATOM 1324 CA GLY A 82 -13.931 -3.771 1.891 1.00 0.00 C ATOM 1325 C GLY A 82 -14.513 -3.188 3.163 1.00 0.00 C ATOM 1326 O GLY A 82 -15.183 -2.156 3.131 1.00 0.00 O ATOM 0 H GLY A 82 -14.807 -5.411 0.926 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -13.162 -4.499 2.148 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -13.443 -2.979 1.322 1.00 0.00 H new ATOM 1330 N ASP A 83 -14.260 -3.852 4.286 1.00 0.00 N ATOM 1331 CA ASP A 83 -14.765 -3.394 5.575 1.00 0.00 C ATOM 1332 C ASP A 83 -13.668 -2.695 6.372 1.00 0.00 C ATOM 1333 O ASP A 83 -13.079 -3.279 7.282 1.00 0.00 O ATOM 1334 CB ASP A 83 -15.323 -4.572 6.376 1.00 0.00 C ATOM 1335 CG ASP A 83 -14.468 -5.817 6.246 1.00 0.00 C ATOM 1336 OD1 ASP A 83 -13.227 -5.683 6.211 1.00 0.00 O ATOM 1337 OD2 ASP A 83 -15.040 -6.925 6.177 1.00 0.00 O ATOM 0 H ASP A 83 -13.708 -4.709 4.329 1.00 0.00 H new ATOM 0 HA ASP A 83 -15.566 -2.678 5.390 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -15.394 -4.292 7.427 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -16.335 -4.792 6.036 1.00 0.00 H new ATOM 1342 N VAL A 84 -13.397 -1.442 6.022 1.00 0.00 N ATOM 1343 CA VAL A 84 -12.370 -0.663 6.704 1.00 0.00 C ATOM 1344 C VAL A 84 -11.212 -1.550 7.149 1.00 0.00 C ATOM 1345 O VAL A 84 -10.601 -1.314 8.190 1.00 0.00 O ATOM 1346 CB VAL A 84 -12.943 0.069 7.932 1.00 0.00 C ATOM 1347 CG1 VAL A 84 -13.377 -0.930 8.994 1.00 0.00 C ATOM 1348 CG2 VAL A 84 -11.922 1.047 8.493 1.00 0.00 C ATOM 0 H VAL A 84 -13.874 -0.944 5.270 1.00 0.00 H new ATOM 0 HA VAL A 84 -12.005 0.074 5.989 1.00 0.00 H new ATOM 0 HB VAL A 84 -13.821 0.635 7.620 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -13.779 -0.395 9.854 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -14.144 -1.587 8.584 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -12.519 -1.525 9.306 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -12.343 1.555 9.360 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -11.024 0.505 8.791 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -11.665 1.782 7.730 1.00 0.00 H new ATOM 1358 N ASN A 85 -10.916 -2.571 6.352 1.00 0.00 N ATOM 1359 CA ASN A 85 -9.831 -3.495 6.663 1.00 0.00 C ATOM 1360 C ASN A 85 -8.725 -3.408 5.616 1.00 0.00 C ATOM 1361 O ASN A 85 -7.572 -3.118 5.938 1.00 0.00 O ATOM 1362 CB ASN A 85 -10.361 -4.928 6.745 1.00 0.00 C ATOM 1363 CG ASN A 85 -9.251 -5.944 6.933 1.00 0.00 C ATOM 1364 OD1 ASN A 85 -9.044 -6.816 6.090 1.00 0.00 O ATOM 1365 ND2 ASN A 85 -8.532 -5.836 8.044 1.00 0.00 N ATOM 0 H ASN A 85 -11.412 -2.780 5.486 1.00 0.00 H new ATOM 0 HA ASN A 85 -9.414 -3.214 7.630 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -11.065 -5.005 7.573 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -10.913 -5.161 5.835 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -7.773 -6.492 8.226 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -8.739 -5.097 8.716 1.00 0.00 H new ATOM 1372 N CYS A 86 -9.084 -3.661 4.363 1.00 0.00 N ATOM 1373 CA CYS A 86 -8.123 -3.613 3.267 1.00 0.00 C ATOM 1374 C CYS A 86 -8.010 -2.199 2.705 1.00 0.00 C ATOM 1375 O CYS A 86 -6.961 -1.805 2.196 1.00 0.00 O ATOM 1376 CB CYS A 86 -8.531 -4.584 2.159 1.00 0.00 C ATOM 1377 SG CYS A 86 -8.796 -6.281 2.725 1.00 0.00 S ATOM 0 H CYS A 86 -10.034 -3.902 4.080 1.00 0.00 H new ATOM 0 HA CYS A 86 -7.149 -3.909 3.658 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -9.446 -4.221 1.692 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -7.759 -4.585 1.389 1.00 0.00 H new ATOM 0 HG CYS A 86 -8.774 -7.087 1.705 1.00 0.00 H new ATOM 1383 N ILE A 87 -9.098 -1.443 2.799 1.00 0.00 N ATOM 1384 CA ILE A 87 -9.122 -0.073 2.299 1.00 0.00 C ATOM 1385 C ILE A 87 -7.801 0.636 2.578 1.00 0.00 C ATOM 1386 O ILE A 87 -7.120 1.088 1.658 1.00 0.00 O ATOM 1387 CB ILE A 87 -10.270 0.737 2.929 1.00 0.00 C ATOM 1388 CG1 ILE A 87 -11.611 0.315 2.327 1.00 0.00 C ATOM 1389 CG2 ILE A 87 -10.038 2.227 2.730 1.00 0.00 C ATOM 1390 CD1 ILE A 87 -12.803 0.708 3.171 1.00 0.00 C ATOM 0 H ILE A 87 -9.975 -1.755 3.217 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.280 -0.133 1.222 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.294 0.533 4.000 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -11.713 0.762 1.338 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -11.614 -0.766 2.190 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -10.858 2.786 3.181 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.099 2.515 3.203 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -9.991 2.449 1.664 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -13.720 0.377 2.683 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -12.725 0.239 4.152 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -12.825 1.792 3.287 1.00 0.00 H new ATOM 1402 N GLY A 88 -7.443 0.728 3.855 1.00 0.00 N ATOM 1403 CA GLY A 88 -6.204 1.383 4.233 1.00 0.00 C ATOM 1404 C GLY A 88 -5.024 0.909 3.409 1.00 0.00 C ATOM 1405 O GLY A 88 -4.341 1.712 2.772 1.00 0.00 O ATOM 0 H GLY A 88 -7.989 0.361 4.635 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -6.316 2.461 4.116 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -6.005 1.196 5.288 1.00 0.00 H new ATOM 1409 N ARG A 89 -4.781 -0.398 3.421 1.00 0.00 N ATOM 1410 CA ARG A 89 -3.673 -0.976 2.671 1.00 0.00 C ATOM 1411 C ARG A 89 -3.613 -0.400 1.260 1.00 0.00 C ATOM 1412 O ARG A 89 -2.548 0.001 0.787 1.00 0.00 O ATOM 1413 CB ARG A 89 -3.812 -2.498 2.607 1.00 0.00 C ATOM 1414 CG ARG A 89 -3.599 -3.186 3.945 1.00 0.00 C ATOM 1415 CD ARG A 89 -3.122 -4.619 3.766 1.00 0.00 C ATOM 1416 NE ARG A 89 -2.748 -5.235 5.036 1.00 0.00 N ATOM 1417 CZ ARG A 89 -3.629 -5.643 5.943 1.00 0.00 C ATOM 1418 NH1 ARG A 89 -4.928 -5.501 5.720 1.00 0.00 N ATOM 1419 NH2 ARG A 89 -3.211 -6.194 7.075 1.00 0.00 N ATOM 0 H ARG A 89 -5.337 -1.076 3.942 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.747 -0.724 3.187 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.805 -2.748 2.233 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.093 -2.890 1.888 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -2.867 -2.628 4.529 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -4.531 -3.180 4.511 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -3.910 -5.207 3.296 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.267 -4.634 3.090 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.756 -5.359 5.238 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -5.253 -5.078 4.851 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.603 -5.815 6.418 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.212 -6.305 7.250 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.888 -6.507 7.771 1.00 0.00 H new ATOM 1433 N ILE A 90 -4.761 -0.363 0.592 1.00 0.00 N ATOM 1434 CA ILE A 90 -4.838 0.164 -0.765 1.00 0.00 C ATOM 1435 C ILE A 90 -4.507 1.653 -0.796 1.00 0.00 C ATOM 1436 O ILE A 90 -3.601 2.084 -1.510 1.00 0.00 O ATOM 1437 CB ILE A 90 -6.236 -0.052 -1.374 1.00 0.00 C ATOM 1438 CG1 ILE A 90 -6.570 -1.545 -1.420 1.00 0.00 C ATOM 1439 CG2 ILE A 90 -6.306 0.555 -2.768 1.00 0.00 C ATOM 1440 CD1 ILE A 90 -8.054 -1.829 -1.501 1.00 0.00 C ATOM 0 H ILE A 90 -5.650 -0.692 0.968 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.104 -0.382 -1.358 1.00 0.00 H new ATOM 0 HB ILE A 90 -6.972 0.447 -0.744 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.075 -1.994 -2.281 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.164 -2.028 -0.531 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.300 0.394 -3.185 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.106 1.625 -2.709 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.562 0.081 -3.409 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -8.217 -2.906 -1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.553 -1.410 -0.627 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.462 -1.376 -2.404 1.00 0.00 H new ATOM 1452 N HIS A 91 -5.247 2.434 -0.015 1.00 0.00 N ATOM 1453 CA HIS A 91 -5.031 3.875 0.049 1.00 0.00 C ATOM 1454 C HIS A 91 -3.552 4.194 0.251 1.00 0.00 C ATOM 1455 O HIS A 91 -2.945 4.910 -0.547 1.00 0.00 O ATOM 1456 CB HIS A 91 -5.856 4.486 1.182 1.00 0.00 C ATOM 1457 CG HIS A 91 -5.998 5.974 1.084 1.00 0.00 C ATOM 1458 ND1 HIS A 91 -5.016 6.852 1.489 1.00 0.00 N ATOM 1459 CD2 HIS A 91 -7.016 6.737 0.621 1.00 0.00 C ATOM 1460 CE1 HIS A 91 -5.424 8.092 1.282 1.00 0.00 C ATOM 1461 NE2 HIS A 91 -6.635 8.049 0.756 1.00 0.00 N ATOM 0 H HIS A 91 -6.001 2.093 0.582 1.00 0.00 H new ATOM 0 HA HIS A 91 -5.352 4.308 -0.898 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -6.848 4.034 1.183 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.391 4.236 2.135 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -7.953 6.380 0.220 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -4.863 8.988 1.505 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -7.196 8.859 0.493 1.00 0.00 H new ATOM 1469 N THR A 92 -2.978 3.660 1.324 1.00 0.00 N ATOM 1470 CA THR A 92 -1.572 3.889 1.632 1.00 0.00 C ATOM 1471 C THR A 92 -0.695 3.652 0.408 1.00 0.00 C ATOM 1472 O THR A 92 -0.120 4.589 -0.147 1.00 0.00 O ATOM 1473 CB THR A 92 -1.092 2.977 2.777 1.00 0.00 C ATOM 1474 OG1 THR A 92 -1.876 3.213 3.952 1.00 0.00 O ATOM 1475 CG2 THR A 92 0.378 3.223 3.085 1.00 0.00 C ATOM 0 H THR A 92 -3.465 3.066 1.995 1.00 0.00 H new ATOM 0 HA THR A 92 -1.483 4.930 1.944 1.00 0.00 H new ATOM 0 HB THR A 92 -1.213 1.941 2.462 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.765 2.817 3.837 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.694 2.568 3.897 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.975 3.015 2.197 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.519 4.262 3.382 1.00 0.00 H new ATOM 1483 N TYR A 93 -0.597 2.394 -0.009 1.00 0.00 N ATOM 1484 CA TYR A 93 0.212 2.034 -1.167 1.00 0.00 C ATOM 1485 C TYR A 93 0.052 3.061 -2.284 1.00 0.00 C ATOM 1486 O TYR A 93 0.998 3.768 -2.634 1.00 0.00 O ATOM 1487 CB TYR A 93 -0.178 0.646 -1.677 1.00 0.00 C ATOM 1488 CG TYR A 93 0.343 0.341 -3.063 1.00 0.00 C ATOM 1489 CD1 TYR A 93 1.703 0.401 -3.344 1.00 0.00 C ATOM 1490 CD2 TYR A 93 -0.523 -0.007 -4.092 1.00 0.00 C ATOM 1491 CE1 TYR A 93 2.184 0.123 -4.609 1.00 0.00 C ATOM 1492 CE2 TYR A 93 -0.051 -0.288 -5.359 1.00 0.00 C ATOM 1493 CZ TYR A 93 1.303 -0.221 -5.613 1.00 0.00 C ATOM 1494 OH TYR A 93 1.777 -0.498 -6.875 1.00 0.00 O ATOM 0 H TYR A 93 -1.068 1.607 0.438 1.00 0.00 H new ATOM 0 HA TYR A 93 1.257 2.020 -0.857 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.198 -0.106 -0.983 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.265 0.561 -1.680 1.00 0.00 H new ATOM 0 HD1 TYR A 93 2.396 0.670 -2.560 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -1.584 -0.059 -3.898 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.244 0.175 -4.811 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -0.738 -0.559 -6.147 1.00 0.00 H new ATOM 0 HH TYR A 93 2.438 -1.220 -6.825 1.00 0.00 H new ATOM 1504 N LEU A 94 -1.152 3.139 -2.839 1.00 0.00 N ATOM 1505 CA LEU A 94 -1.439 4.080 -3.917 1.00 0.00 C ATOM 1506 C LEU A 94 -0.848 5.453 -3.612 1.00 0.00 C ATOM 1507 O LEU A 94 -0.465 6.189 -4.521 1.00 0.00 O ATOM 1508 CB LEU A 94 -2.949 4.197 -4.129 1.00 0.00 C ATOM 1509 CG LEU A 94 -3.663 2.925 -4.587 1.00 0.00 C ATOM 1510 CD1 LEU A 94 -5.105 2.919 -4.102 1.00 0.00 C ATOM 1511 CD2 LEU A 94 -3.608 2.798 -6.102 1.00 0.00 C ATOM 0 H LEU A 94 -1.946 2.562 -2.561 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.979 3.702 -4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.402 4.528 -3.195 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.133 4.978 -4.866 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.151 2.067 -4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.598 2.006 -4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.123 2.962 -3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.629 3.784 -4.508 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.121 1.887 -6.410 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.095 3.660 -6.557 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.568 2.756 -6.426 1.00 0.00 H new ATOM 1523 N GLU A 95 -0.776 5.789 -2.328 1.00 0.00 N ATOM 1524 CA GLU A 95 -0.231 7.073 -1.905 1.00 0.00 C ATOM 1525 C GLU A 95 1.295 7.042 -1.901 1.00 0.00 C ATOM 1526 O GLU A 95 1.949 8.055 -2.151 1.00 0.00 O ATOM 1527 CB GLU A 95 -0.748 7.437 -0.511 1.00 0.00 C ATOM 1528 CG GLU A 95 -0.737 8.930 -0.229 1.00 0.00 C ATOM 1529 CD GLU A 95 -1.238 9.265 1.163 1.00 0.00 C ATOM 1530 OE1 GLU A 95 -1.364 8.336 1.988 1.00 0.00 O ATOM 1531 OE2 GLU A 95 -1.504 10.456 1.426 1.00 0.00 O ATOM 0 H GLU A 95 -1.088 5.190 -1.563 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.560 7.830 -2.616 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -1.766 7.062 -0.401 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.139 6.930 0.237 1.00 0.00 H new ATOM 0 HG2 GLU A 95 0.277 9.311 -0.347 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.357 9.440 -0.967 1.00 0.00 H new ATOM 1538 N LEU A 96 1.856 5.872 -1.615 1.00 0.00 N ATOM 1539 CA LEU A 96 3.305 5.707 -1.578 1.00 0.00 C ATOM 1540 C LEU A 96 3.897 5.783 -2.982 1.00 0.00 C ATOM 1541 O LEU A 96 5.011 6.273 -3.170 1.00 0.00 O ATOM 1542 CB LEU A 96 3.669 4.370 -0.930 1.00 0.00 C ATOM 1543 CG LEU A 96 3.074 4.110 0.454 1.00 0.00 C ATOM 1544 CD1 LEU A 96 3.367 2.687 0.903 1.00 0.00 C ATOM 1545 CD2 LEU A 96 3.614 5.113 1.463 1.00 0.00 C ATOM 0 H LEU A 96 1.330 5.024 -1.405 1.00 0.00 H new ATOM 0 HA LEU A 96 3.724 6.518 -0.983 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.351 3.568 -1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.755 4.310 -0.854 1.00 0.00 H new ATOM 0 HG LEU A 96 1.993 4.233 0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.936 2.521 1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.930 1.984 0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.445 2.534 0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.180 4.913 2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.699 5.022 1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.351 6.123 1.149 1.00 0.00 H new ATOM 1557 N ILE A 97 3.145 5.298 -3.963 1.00 0.00 N ATOM 1558 CA ILE A 97 3.594 5.314 -5.350 1.00 0.00 C ATOM 1559 C ILE A 97 3.393 6.690 -5.977 1.00 0.00 C ATOM 1560 O ILE A 97 4.077 7.054 -6.932 1.00 0.00 O ATOM 1561 CB ILE A 97 2.851 4.264 -6.195 1.00 0.00 C ATOM 1562 CG1 ILE A 97 1.343 4.358 -5.955 1.00 0.00 C ATOM 1563 CG2 ILE A 97 3.358 2.867 -5.870 1.00 0.00 C ATOM 1564 CD1 ILE A 97 0.516 3.700 -7.038 1.00 0.00 C ATOM 0 H ILE A 97 2.221 4.889 -3.824 1.00 0.00 H new ATOM 0 HA ILE A 97 4.657 5.073 -5.340 1.00 0.00 H new ATOM 0 HB ILE A 97 3.045 4.464 -7.249 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.106 3.895 -4.997 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.060 5.408 -5.880 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.823 2.136 -6.476 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.424 2.807 -6.087 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.190 2.656 -4.814 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.543 3.805 -6.802 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.724 4.178 -7.995 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.771 2.642 -7.098 1.00 0.00 H new ATOM 1576 N GLY A 98 2.450 7.451 -5.430 1.00 0.00 N ATOM 1577 CA GLY A 98 2.177 8.779 -5.947 1.00 0.00 C ATOM 1578 C GLY A 98 0.862 8.850 -6.697 1.00 0.00 C ATOM 1579 O GLY A 98 0.256 9.916 -6.803 1.00 0.00 O ATOM 0 H GLY A 98 1.871 7.172 -4.638 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.160 9.490 -5.121 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.987 9.081 -6.611 1.00 0.00 H new ATOM 1583 N ALA A 99 0.419 7.712 -7.220 1.00 0.00 N ATOM 1584 CA ALA A 99 -0.833 7.649 -7.964 1.00 0.00 C ATOM 1585 C ALA A 99 -1.866 8.608 -7.382 1.00 0.00 C ATOM 1586 O ALA A 99 -2.622 9.242 -8.118 1.00 0.00 O ATOM 1587 CB ALA A 99 -1.374 6.227 -7.968 1.00 0.00 C ATOM 0 H ALA A 99 0.909 6.821 -7.142 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.632 7.952 -8.991 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.309 6.195 -8.527 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.648 5.563 -8.437 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.553 5.903 -6.943 1.00 0.00 H new ATOM 1593 N ILE A 100 -1.893 8.708 -6.057 1.00 0.00 N ATOM 1594 CA ILE A 100 -2.833 9.590 -5.378 1.00 0.00 C ATOM 1595 C ILE A 100 -2.123 10.460 -4.346 1.00 0.00 C ATOM 1596 O ILE A 100 -1.132 10.047 -3.747 1.00 0.00 O ATOM 1597 CB ILE A 100 -3.950 8.792 -4.678 1.00 0.00 C ATOM 1598 CG1 ILE A 100 -3.347 7.777 -3.704 1.00 0.00 C ATOM 1599 CG2 ILE A 100 -4.824 8.092 -5.707 1.00 0.00 C ATOM 1600 CD1 ILE A 100 -4.247 7.458 -2.531 1.00 0.00 C ATOM 0 H ILE A 100 -1.275 8.189 -5.433 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.277 10.226 -6.143 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.573 9.485 -4.112 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.125 6.856 -4.243 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.399 8.163 -3.330 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.609 7.532 -5.198 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.276 8.834 -6.365 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -4.214 7.407 -6.297 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.756 6.732 -1.882 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.448 8.370 -1.968 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.186 7.042 -2.896 1.00 0.00 H new ATOM 1612 N ASN A 101 -2.640 11.668 -4.142 1.00 0.00 N ATOM 1613 CA ASN A 101 -2.056 12.597 -3.182 1.00 0.00 C ATOM 1614 C ASN A 101 -0.538 12.642 -3.322 1.00 0.00 C ATOM 1615 O ASN A 101 0.192 12.489 -2.342 1.00 0.00 O ATOM 1616 CB ASN A 101 -2.436 12.194 -1.755 1.00 0.00 C ATOM 1617 CG ASN A 101 -3.932 12.013 -1.584 1.00 0.00 C ATOM 1618 OD1 ASN A 101 -4.728 12.751 -2.165 1.00 0.00 O ATOM 1619 ND2 ASN A 101 -4.321 11.028 -0.784 1.00 0.00 N ATOM 0 H ASN A 101 -3.462 12.026 -4.629 1.00 0.00 H new ATOM 0 HA ASN A 101 -2.452 13.591 -3.390 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -1.928 11.265 -1.495 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -2.083 12.955 -1.059 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.315 10.858 -0.630 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -3.626 10.441 -0.323 1.00 0.00 H new ATOM 1626 N PHE A 102 -0.068 12.853 -4.547 1.00 0.00 N ATOM 1627 CA PHE A 102 1.363 12.918 -4.817 1.00 0.00 C ATOM 1628 C PHE A 102 1.980 14.163 -4.186 1.00 0.00 C ATOM 1629 O PHE A 102 1.403 15.249 -4.236 1.00 0.00 O ATOM 1630 CB PHE A 102 1.620 12.917 -6.325 1.00 0.00 C ATOM 1631 CG PHE A 102 3.038 13.250 -6.692 1.00 0.00 C ATOM 1632 CD1 PHE A 102 4.062 12.350 -6.444 1.00 0.00 C ATOM 1633 CD2 PHE A 102 3.348 14.464 -7.285 1.00 0.00 C ATOM 1634 CE1 PHE A 102 5.368 12.653 -6.780 1.00 0.00 C ATOM 1635 CE2 PHE A 102 4.652 14.772 -7.624 1.00 0.00 C ATOM 1636 CZ PHE A 102 5.663 13.867 -7.370 1.00 0.00 C ATOM 0 H PHE A 102 -0.658 12.982 -5.369 1.00 0.00 H new ATOM 0 HA PHE A 102 1.830 12.038 -4.375 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.370 11.935 -6.727 1.00 0.00 H new ATOM 0 HB3 PHE A 102 0.952 13.636 -6.800 1.00 0.00 H new ATOM 0 HD1 PHE A 102 3.837 11.400 -5.982 1.00 0.00 H new ATOM 0 HD2 PHE A 102 2.562 15.177 -7.484 1.00 0.00 H new ATOM 0 HE1 PHE A 102 6.156 11.942 -6.582 1.00 0.00 H new ATOM 0 HE2 PHE A 102 4.880 15.720 -8.088 1.00 0.00 H new ATOM 0 HZ PHE A 102 6.683 14.108 -7.632 1.00 0.00 H new ATOM 1646 N GLY A 103 3.157 13.997 -3.590 1.00 0.00 N ATOM 1647 CA GLY A 103 3.832 15.114 -2.957 1.00 0.00 C ATOM 1648 C GLY A 103 2.882 15.999 -2.175 1.00 0.00 C ATOM 1649 O GLY A 103 2.356 16.977 -2.707 1.00 0.00 O ATOM 0 H GLY A 103 3.655 13.108 -3.535 1.00 0.00 H new ATOM 0 HA2 GLY A 103 4.605 14.735 -2.288 1.00 0.00 H new ATOM 0 HA3 GLY A 103 4.334 15.710 -3.719 1.00 0.00 H new ATOM 1653 N CYS A 104 2.659 15.655 -0.912 1.00 0.00 N ATOM 1654 CA CYS A 104 1.763 16.424 -0.056 1.00 0.00 C ATOM 1655 C CYS A 104 2.186 16.323 1.405 1.00 0.00 C ATOM 1656 O CYS A 104 2.663 15.281 1.852 1.00 0.00 O ATOM 1657 CB CYS A 104 0.323 15.933 -0.218 1.00 0.00 C ATOM 1658 SG CYS A 104 -0.285 15.976 -1.920 1.00 0.00 S ATOM 0 H CYS A 104 3.087 14.848 -0.458 1.00 0.00 H new ATOM 0 HA CYS A 104 1.819 17.469 -0.360 1.00 0.00 H new ATOM 0 HB2 CYS A 104 0.255 14.911 0.155 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -0.330 16.544 0.405 1.00 0.00 H new ATOM 0 HG CYS A 104 0.707 16.202 -2.730 1.00 0.00 H new ATOM 1664 N GLU A 105 2.010 17.414 2.144 1.00 0.00 N ATOM 1665 CA GLU A 105 2.377 17.448 3.555 1.00 0.00 C ATOM 1666 C GLU A 105 1.504 16.496 4.367 1.00 0.00 C ATOM 1667 O GLU A 105 1.877 16.079 5.463 1.00 0.00 O ATOM 1668 CB GLU A 105 2.247 18.871 4.104 1.00 0.00 C ATOM 1669 CG GLU A 105 0.845 19.444 3.984 1.00 0.00 C ATOM 1670 CD GLU A 105 0.799 20.935 4.254 1.00 0.00 C ATOM 1671 OE1 GLU A 105 1.414 21.378 5.247 1.00 0.00 O ATOM 1672 OE2 GLU A 105 0.147 21.660 3.473 1.00 0.00 O ATOM 0 H GLU A 105 1.616 18.285 1.789 1.00 0.00 H new ATOM 0 HA GLU A 105 3.415 17.126 3.643 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.544 18.875 5.153 1.00 0.00 H new ATOM 0 HB3 GLU A 105 2.943 19.521 3.573 1.00 0.00 H new ATOM 0 HG2 GLU A 105 0.461 19.248 2.983 1.00 0.00 H new ATOM 0 HG3 GLU A 105 0.186 18.931 4.684 1.00 0.00 H new ATOM 1679 N GLN A 106 0.341 16.157 3.820 1.00 0.00 N ATOM 1680 CA GLN A 106 -0.586 15.255 4.494 1.00 0.00 C ATOM 1681 C GLN A 106 -0.236 13.799 4.204 1.00 0.00 C ATOM 1682 O GLN A 106 -0.633 12.897 4.941 1.00 0.00 O ATOM 1683 CB GLN A 106 -2.022 15.544 4.056 1.00 0.00 C ATOM 1684 CG GLN A 106 -2.711 16.609 4.895 1.00 0.00 C ATOM 1685 CD GLN A 106 -4.219 16.589 4.739 1.00 0.00 C ATOM 1686 OE1 GLN A 106 -4.917 15.849 5.434 1.00 0.00 O ATOM 1687 NE2 GLN A 106 -4.731 17.404 3.824 1.00 0.00 N ATOM 0 H GLN A 106 0.018 16.493 2.913 1.00 0.00 H new ATOM 0 HA GLN A 106 -0.501 15.423 5.568 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.018 15.861 3.013 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -2.601 14.622 4.107 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -2.456 16.461 5.944 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -2.333 17.591 4.611 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -4.116 18.000 3.270 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -5.740 17.434 3.675 1.00 0.00 H new ATOM 1696 N ALA A 107 0.508 13.578 3.125 1.00 0.00 N ATOM 1697 CA ALA A 107 0.911 12.232 2.738 1.00 0.00 C ATOM 1698 C ALA A 107 1.310 11.407 3.957 1.00 0.00 C ATOM 1699 O ALA A 107 1.576 11.952 5.028 1.00 0.00 O ATOM 1700 CB ALA A 107 2.059 12.291 1.741 1.00 0.00 C ATOM 0 H ALA A 107 0.844 14.314 2.504 1.00 0.00 H new ATOM 0 HA ALA A 107 0.058 11.746 2.265 1.00 0.00 H new ATOM 0 HB1 ALA A 107 2.350 11.279 1.461 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.741 12.837 0.852 1.00 0.00 H new ATOM 0 HB3 ALA A 107 2.909 12.800 2.195 1.00 0.00 H new ATOM 1706 N VAL A 108 1.348 10.089 3.787 1.00 0.00 N ATOM 1707 CA VAL A 108 1.715 9.188 4.873 1.00 0.00 C ATOM 1708 C VAL A 108 3.204 8.863 4.839 1.00 0.00 C ATOM 1709 O VAL A 108 3.661 7.927 5.495 1.00 0.00 O ATOM 1710 CB VAL A 108 0.912 7.875 4.809 1.00 0.00 C ATOM 1711 CG1 VAL A 108 1.405 7.004 3.663 1.00 0.00 C ATOM 1712 CG2 VAL A 108 1.002 7.131 6.132 1.00 0.00 C ATOM 0 H VAL A 108 1.129 9.622 2.907 1.00 0.00 H new ATOM 0 HA VAL A 108 1.480 9.703 5.804 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.135 8.117 4.626 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.827 6.081 3.633 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.284 7.539 2.721 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.458 6.767 3.813 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.429 6.206 6.069 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.045 6.898 6.348 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.597 7.755 6.929 1.00 0.00 H new ATOM 1722 N TYR A 109 3.956 9.643 4.071 1.00 0.00 N ATOM 1723 CA TYR A 109 5.395 9.437 3.949 1.00 0.00 C ATOM 1724 C TYR A 109 6.154 10.735 4.202 1.00 0.00 C ATOM 1725 O TYR A 109 7.283 10.722 4.692 1.00 0.00 O ATOM 1726 CB TYR A 109 5.738 8.895 2.560 1.00 0.00 C ATOM 1727 CG TYR A 109 5.068 9.649 1.434 1.00 0.00 C ATOM 1728 CD1 TYR A 109 5.645 10.794 0.898 1.00 0.00 C ATOM 1729 CD2 TYR A 109 3.858 9.216 0.905 1.00 0.00 C ATOM 1730 CE1 TYR A 109 5.036 11.486 -0.130 1.00 0.00 C ATOM 1731 CE2 TYR A 109 3.243 9.902 -0.125 1.00 0.00 C ATOM 1732 CZ TYR A 109 3.836 11.036 -0.639 1.00 0.00 C ATOM 1733 OH TYR A 109 3.225 11.722 -1.664 1.00 0.00 O ATOM 0 H TYR A 109 3.594 10.424 3.524 1.00 0.00 H new ATOM 0 HA TYR A 109 5.697 8.708 4.701 1.00 0.00 H new ATOM 0 HB2 TYR A 109 6.818 8.934 2.420 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.448 7.846 2.507 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.586 11.149 1.292 1.00 0.00 H new ATOM 0 HD2 TYR A 109 3.391 8.329 1.306 1.00 0.00 H new ATOM 0 HE1 TYR A 109 5.497 12.375 -0.533 1.00 0.00 H new ATOM 0 HE2 TYR A 109 2.303 9.552 -0.525 1.00 0.00 H new ATOM 0 HH TYR A 109 2.257 11.745 -1.511 1.00 0.00 H new ATOM 1743 N ASN A 110 5.525 11.857 3.865 1.00 0.00 N ATOM 1744 CA ASN A 110 6.141 13.165 4.056 1.00 0.00 C ATOM 1745 C ASN A 110 6.299 13.481 5.540 1.00 0.00 C ATOM 1746 O ASN A 110 7.095 14.340 5.921 1.00 0.00 O ATOM 1747 CB ASN A 110 5.301 14.250 3.379 1.00 0.00 C ATOM 1748 CG ASN A 110 5.688 14.460 1.928 1.00 0.00 C ATOM 1749 OD1 ASN A 110 6.218 13.559 1.278 1.00 0.00 O ATOM 1750 ND2 ASN A 110 5.426 15.656 1.413 1.00 0.00 N ATOM 0 H ASN A 110 4.590 11.886 3.459 1.00 0.00 H new ATOM 0 HA ASN A 110 7.131 13.143 3.600 1.00 0.00 H new ATOM 0 HB2 ASN A 110 4.247 13.978 3.435 1.00 0.00 H new ATOM 0 HB3 ASN A 110 5.417 15.188 3.923 1.00 0.00 H new ATOM 0 HD21 ASN A 110 5.665 15.857 0.442 1.00 0.00 H new ATOM 0 HD22 ASN A 110 4.985 16.374 1.988 1.00 0.00 H new ATOM 1757 N ARG A 111 5.537 12.780 6.373 1.00 0.00 N ATOM 1758 CA ARG A 111 5.592 12.985 7.815 1.00 0.00 C ATOM 1759 C ARG A 111 7.023 12.852 8.329 1.00 0.00 C ATOM 1760 O ARG A 111 7.332 13.264 9.447 1.00 0.00 O ATOM 1761 CB ARG A 111 4.686 11.981 8.530 1.00 0.00 C ATOM 1762 CG ARG A 111 3.206 12.197 8.261 1.00 0.00 C ATOM 1763 CD ARG A 111 2.345 11.273 9.108 1.00 0.00 C ATOM 1764 NE ARG A 111 0.999 11.804 9.301 1.00 0.00 N ATOM 1765 CZ ARG A 111 0.722 12.834 10.094 1.00 0.00 C ATOM 1766 NH1 ARG A 111 1.693 13.440 10.762 1.00 0.00 N ATOM 1767 NH2 ARG A 111 -0.529 13.259 10.218 1.00 0.00 N ATOM 0 H ARG A 111 4.874 12.065 6.074 1.00 0.00 H new ATOM 0 HA ARG A 111 5.241 13.995 8.027 1.00 0.00 H new ATOM 0 HB2 ARG A 111 4.960 10.973 8.220 1.00 0.00 H new ATOM 0 HB3 ARG A 111 4.864 12.044 9.603 1.00 0.00 H new ATOM 0 HG2 ARG A 111 2.944 13.234 8.471 1.00 0.00 H new ATOM 0 HG3 ARG A 111 2.998 12.024 7.205 1.00 0.00 H new ATOM 0 HD2 ARG A 111 2.284 10.295 8.630 1.00 0.00 H new ATOM 0 HD3 ARG A 111 2.819 11.124 10.078 1.00 0.00 H new ATOM 0 HE ARG A 111 0.229 11.360 8.800 1.00 0.00 H new ATOM 0 HH11 ARG A 111 2.656 13.116 10.668 1.00 0.00 H new ATOM 0 HH12 ARG A 111 1.478 14.230 11.370 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -1.278 12.795 9.705 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -0.741 14.049 10.827 1.00 0.00 H new