USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 689 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 29 LYS NZ :NH3+ 155:sc= -0.0168 (180deg=-0.503) USER MOD Set 1.2: A 74 CYS SG : rot -23:sc= -0.54 USER MOD Set 2.1: A 23 ASN : amide:sc= -5.88! C(o=-4.7!,f=-7.3!) USER MOD Set 2.2: B 210 LYS NZ :NH3+ -170:sc= 1.22 (180deg=1.12) USER MOD Set 3.1: A 8 LYS NZ :NH3+ -151:sc= 2.45 (180deg=1.21) USER MOD Set 3.2: A 11 SER OG : rot 180:sc= -0.0368 USER MOD Single : A 10 MET CE :methyl -142:sc= -3.74! (180deg=-7.44!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.308) USER MOD Single : A 17 GLN : amide:sc= -0.335 K(o=-0.34,f=-1.3) USER MOD Single : A 19 SER OG : rot 70:sc= 0.672 USER MOD Single : A 24 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00714) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.958 K(o=-0.96,f=-2.5) USER MOD Single : A 39 SER OG : rot -43:sc= 1.24 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0.0164 X(o=0.016,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.773 K(o=-0.77,f=-6.4!) USER MOD Single : A 58 THR OG1 : rot 180:sc= -1.29 USER MOD Single : A 60 LYS NZ :NH3+ 179:sc= -0.675 (180deg=-0.752) USER MOD Single : A 62 SER OG : rot 100:sc= -0.616 USER MOD Single : A 63 THR OG1 : rot 158:sc= 0.187 USER MOD Single : A 70 TYR OH : rot -20:sc= 1.23 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -66:sc= 1.19 USER MOD Single : B 203 THR OG1 : rot 180:sc= 0.0319 USER MOD Single : B 208 LYS NZ :NH3+ -130:sc= 0.0229 (180deg=0) USER MOD Single : B 211 TYR OH : rot 105:sc= 0.0176 USER MOD ----------------------------------------------------------------- ATOM 104 N LYS A 8 -14.678 5.831 -4.469 1.00 0.00 N ATOM 105 CA LYS A 8 -14.343 5.577 -5.848 1.00 0.00 C ATOM 106 C LYS A 8 -13.256 4.511 -5.958 1.00 0.00 C ATOM 107 O LYS A 8 -12.234 4.582 -5.268 1.00 0.00 O ATOM 108 CB LYS A 8 -13.871 6.892 -6.450 1.00 0.00 C ATOM 109 CG LYS A 8 -14.098 7.048 -7.937 1.00 0.00 C ATOM 110 CD LYS A 8 -13.022 6.374 -8.789 1.00 0.00 C ATOM 111 CE LYS A 8 -11.675 7.093 -8.716 1.00 0.00 C ATOM 112 NZ LYS A 8 -10.604 6.332 -9.415 1.00 0.00 N ATOM 0 HA LYS A 8 -15.213 5.200 -6.386 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.377 7.709 -5.936 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.805 7.001 -6.250 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.071 6.629 -8.195 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.133 8.109 -8.182 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.897 5.343 -8.460 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.355 6.339 -9.826 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.767 8.084 -9.162 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.396 7.238 -7.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.687 6.535 -8.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -10.803 5.313 -9.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -10.573 6.616 -10.415 1.00 0.00 H new ATOM 126 N PRO A 9 -13.462 3.523 -6.840 1.00 0.00 N ATOM 127 CA PRO A 9 -12.503 2.440 -7.056 1.00 0.00 C ATOM 128 C PRO A 9 -11.172 2.977 -7.545 1.00 0.00 C ATOM 129 O PRO A 9 -11.122 3.860 -8.404 1.00 0.00 O ATOM 130 CB PRO A 9 -13.164 1.559 -8.123 1.00 0.00 C ATOM 131 CG PRO A 9 -14.192 2.428 -8.768 1.00 0.00 C ATOM 132 CD PRO A 9 -14.639 3.404 -7.715 1.00 0.00 C ATOM 0 HA PRO A 9 -12.283 1.892 -6.140 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.433 1.207 -8.851 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.620 0.675 -7.677 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.775 2.949 -9.630 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.032 1.834 -9.130 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -14.916 4.365 -8.149 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.509 3.037 -7.171 1.00 0.00 H new ATOM 140 N MET A 10 -10.099 2.467 -6.977 1.00 0.00 N ATOM 141 CA MET A 10 -8.776 2.947 -7.300 1.00 0.00 C ATOM 142 C MET A 10 -8.368 2.478 -8.698 1.00 0.00 C ATOM 143 O MET A 10 -8.210 1.280 -8.942 1.00 0.00 O ATOM 144 CB MET A 10 -7.765 2.490 -6.254 1.00 0.00 C ATOM 145 CG MET A 10 -6.519 3.342 -6.253 1.00 0.00 C ATOM 146 SD MET A 10 -6.848 4.976 -5.597 1.00 0.00 S ATOM 147 CE MET A 10 -5.719 4.993 -4.225 1.00 0.00 C ATOM 0 H MET A 10 -10.120 1.717 -6.286 1.00 0.00 H new ATOM 0 HA MET A 10 -8.792 4.037 -7.295 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.226 2.523 -5.267 1.00 0.00 H new ATOM 0 HB3 MET A 10 -7.493 1.452 -6.444 1.00 0.00 H new ATOM 0 HG2 MET A 10 -5.745 2.858 -5.657 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.133 3.427 -7.269 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.181 5.505 -3.380 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.476 3.969 -3.941 1.00 0.00 H new ATOM 0 HE3 MET A 10 -4.806 5.516 -4.511 1.00 0.00 H new ATOM 157 N SER A 11 -8.225 3.431 -9.611 1.00 0.00 N ATOM 158 CA SER A 11 -7.924 3.130 -11.014 1.00 0.00 C ATOM 159 C SER A 11 -6.508 2.580 -11.177 1.00 0.00 C ATOM 160 O SER A 11 -5.732 2.589 -10.232 1.00 0.00 O ATOM 161 CB SER A 11 -8.098 4.387 -11.869 1.00 0.00 C ATOM 162 OG SER A 11 -9.368 4.982 -11.649 1.00 0.00 O ATOM 0 H SER A 11 -8.312 4.427 -9.407 1.00 0.00 H new ATOM 0 HA SER A 11 -8.623 2.363 -11.349 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.311 5.103 -11.632 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.990 4.132 -12.923 1.00 0.00 H new ATOM 0 HG SER A 11 -9.454 5.784 -12.205 1.00 0.00 H new ATOM 168 N TYR A 12 -6.168 2.119 -12.379 1.00 0.00 N ATOM 169 CA TYR A 12 -4.868 1.485 -12.623 1.00 0.00 C ATOM 170 C TYR A 12 -3.696 2.411 -12.292 1.00 0.00 C ATOM 171 O TYR A 12 -2.847 2.069 -11.467 1.00 0.00 O ATOM 172 CB TYR A 12 -4.750 1.001 -14.078 1.00 0.00 C ATOM 173 CG TYR A 12 -3.312 0.780 -14.517 1.00 0.00 C ATOM 174 CD1 TYR A 12 -2.434 0.034 -13.739 1.00 0.00 C ATOM 175 CD2 TYR A 12 -2.828 1.345 -15.691 1.00 0.00 C ATOM 176 CE1 TYR A 12 -1.122 -0.142 -14.111 1.00 0.00 C ATOM 177 CE2 TYR A 12 -1.513 1.165 -16.074 1.00 0.00 C ATOM 178 CZ TYR A 12 -0.664 0.425 -15.280 1.00 0.00 C ATOM 179 OH TYR A 12 0.649 0.253 -15.656 1.00 0.00 O ATOM 0 H TYR A 12 -6.771 2.171 -13.200 1.00 0.00 H new ATOM 0 HA TYR A 12 -4.816 0.626 -11.954 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -5.306 0.070 -14.191 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.217 1.733 -14.737 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.790 -0.416 -12.824 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.488 1.932 -16.312 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.454 -0.721 -13.490 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.152 1.603 -16.993 1.00 0.00 H new ATOM 0 HH TYR A 12 0.809 0.716 -16.505 1.00 0.00 H new ATOM 189 N GLU A 13 -3.651 3.581 -12.917 1.00 0.00 N ATOM 190 CA GLU A 13 -2.503 4.469 -12.776 1.00 0.00 C ATOM 191 C GLU A 13 -2.486 5.054 -11.381 1.00 0.00 C ATOM 192 O GLU A 13 -1.478 5.579 -10.910 1.00 0.00 O ATOM 193 CB GLU A 13 -2.554 5.578 -13.828 1.00 0.00 C ATOM 194 CG GLU A 13 -2.449 5.058 -15.249 1.00 0.00 C ATOM 195 CD GLU A 13 -2.439 6.170 -16.274 1.00 0.00 C ATOM 196 OE1 GLU A 13 -1.360 6.752 -16.509 1.00 0.00 O ATOM 197 OE2 GLU A 13 -3.507 6.465 -16.853 1.00 0.00 O ATOM 0 H GLU A 13 -4.391 3.936 -13.523 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.587 3.900 -12.932 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.487 6.131 -13.718 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.742 6.282 -13.644 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.539 4.467 -15.350 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.286 4.390 -15.451 1.00 0.00 H new ATOM 204 N GLU A 14 -3.612 4.902 -10.724 1.00 0.00 N ATOM 205 CA GLU A 14 -3.831 5.399 -9.403 1.00 0.00 C ATOM 206 C GLU A 14 -3.355 4.350 -8.399 1.00 0.00 C ATOM 207 O GLU A 14 -2.651 4.662 -7.442 1.00 0.00 O ATOM 208 CB GLU A 14 -5.324 5.677 -9.323 1.00 0.00 C ATOM 209 CG GLU A 14 -5.761 6.573 -8.194 1.00 0.00 C ATOM 210 CD GLU A 14 -7.234 6.944 -8.305 1.00 0.00 C ATOM 211 OE1 GLU A 14 -8.080 6.038 -8.480 1.00 0.00 O ATOM 212 OE2 GLU A 14 -7.556 8.149 -8.233 1.00 0.00 O ATOM 0 H GLU A 14 -4.419 4.414 -11.113 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.278 6.310 -9.173 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.642 6.127 -10.264 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.848 4.726 -9.231 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.583 6.072 -7.242 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.157 7.480 -8.195 1.00 0.00 H new ATOM 219 N LYS A 15 -3.732 3.096 -8.652 1.00 0.00 N ATOM 220 CA LYS A 15 -3.173 1.944 -7.970 1.00 0.00 C ATOM 221 C LYS A 15 -1.660 1.906 -8.078 1.00 0.00 C ATOM 222 O LYS A 15 -0.963 1.794 -7.072 1.00 0.00 O ATOM 223 CB LYS A 15 -3.734 0.661 -8.574 1.00 0.00 C ATOM 224 CG LYS A 15 -5.140 0.334 -8.115 1.00 0.00 C ATOM 225 CD LYS A 15 -5.491 -1.113 -8.409 1.00 0.00 C ATOM 226 CE LYS A 15 -6.728 -1.566 -7.652 1.00 0.00 C ATOM 227 NZ LYS A 15 -7.376 -2.734 -8.307 1.00 0.00 N ATOM 0 H LYS A 15 -4.442 2.857 -9.344 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.447 2.025 -6.918 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.727 0.749 -9.660 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.076 -0.169 -8.317 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.229 0.522 -7.045 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.851 0.992 -8.615 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.657 -1.235 -9.479 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.649 -1.751 -8.142 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.454 -1.828 -6.630 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.439 -0.742 -7.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.877 -3.299 -7.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.054 -2.400 -9.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.651 -3.321 -8.766 1.00 0.00 H new ATOM 241 N ARG A 16 -1.161 1.975 -9.307 1.00 0.00 N ATOM 242 CA ARG A 16 0.272 1.944 -9.553 1.00 0.00 C ATOM 243 C ARG A 16 0.970 3.049 -8.792 1.00 0.00 C ATOM 244 O ARG A 16 2.007 2.816 -8.173 1.00 0.00 O ATOM 245 CB ARG A 16 0.576 2.047 -11.054 1.00 0.00 C ATOM 246 CG ARG A 16 1.927 2.688 -11.377 1.00 0.00 C ATOM 247 CD ARG A 16 2.323 2.487 -12.827 1.00 0.00 C ATOM 248 NE ARG A 16 3.498 3.274 -13.192 1.00 0.00 N ATOM 249 CZ ARG A 16 4.281 3.006 -14.239 1.00 0.00 C ATOM 250 NH1 ARG A 16 4.003 1.983 -15.039 1.00 0.00 N ATOM 251 NH2 ARG A 16 5.339 3.766 -14.486 1.00 0.00 N ATOM 0 H ARG A 16 -1.731 2.053 -10.149 1.00 0.00 H new ATOM 0 HA ARG A 16 0.653 0.987 -9.196 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.547 1.048 -11.489 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.213 2.626 -11.534 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.883 3.755 -11.159 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.694 2.262 -10.730 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.526 1.431 -13.003 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.488 2.763 -13.471 1.00 0.00 H new ATOM 0 HE ARG A 16 3.735 4.078 -12.611 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.188 1.398 -14.854 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.604 1.782 -15.838 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.554 4.555 -13.876 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.938 3.562 -15.286 1.00 0.00 H new ATOM 265 N GLN A 17 0.398 4.245 -8.804 1.00 0.00 N ATOM 266 CA GLN A 17 1.020 5.336 -8.095 1.00 0.00 C ATOM 267 C GLN A 17 0.948 5.077 -6.596 1.00 0.00 C ATOM 268 O GLN A 17 1.910 5.315 -5.887 1.00 0.00 O ATOM 269 CB GLN A 17 0.416 6.693 -8.486 1.00 0.00 C ATOM 270 CG GLN A 17 1.223 7.859 -7.951 1.00 0.00 C ATOM 271 CD GLN A 17 2.657 7.836 -8.447 1.00 0.00 C ATOM 272 OE1 GLN A 17 2.936 7.393 -9.563 1.00 0.00 O ATOM 273 NE2 GLN A 17 3.580 8.285 -7.619 1.00 0.00 N ATOM 0 H GLN A 17 -0.472 4.474 -9.285 1.00 0.00 H new ATOM 0 HA GLN A 17 2.070 5.388 -8.382 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.358 6.763 -9.572 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.604 6.756 -8.108 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.751 8.794 -8.252 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.216 7.834 -6.861 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.312 8.645 -6.703 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.562 8.273 -7.895 1.00 0.00 H new ATOM 282 N LEU A 18 -0.162 4.503 -6.151 1.00 0.00 N ATOM 283 CA LEU A 18 -0.378 4.167 -4.756 1.00 0.00 C ATOM 284 C LEU A 18 0.655 3.165 -4.278 1.00 0.00 C ATOM 285 O LEU A 18 1.219 3.308 -3.197 1.00 0.00 O ATOM 286 CB LEU A 18 -1.787 3.603 -4.573 1.00 0.00 C ATOM 287 CG LEU A 18 -2.544 4.101 -3.338 1.00 0.00 C ATOM 288 CD1 LEU A 18 -2.367 3.146 -2.179 1.00 0.00 C ATOM 289 CD2 LEU A 18 -2.052 5.454 -2.900 1.00 0.00 C ATOM 0 H LEU A 18 -0.944 4.256 -6.758 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.274 5.073 -4.159 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.374 3.845 -5.459 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.720 2.516 -4.522 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.595 4.165 -3.619 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.913 3.520 -1.313 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.752 2.164 -2.455 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.308 3.065 -1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.610 5.777 -2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.992 5.394 -2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.197 6.173 -3.707 1.00 0.00 H new ATOM 301 N SER A 19 0.910 2.159 -5.103 1.00 0.00 N ATOM 302 CA SER A 19 1.921 1.161 -4.799 1.00 0.00 C ATOM 303 C SER A 19 3.282 1.834 -4.675 1.00 0.00 C ATOM 304 O SER A 19 4.128 1.432 -3.876 1.00 0.00 O ATOM 305 CB SER A 19 1.959 0.101 -5.894 1.00 0.00 C ATOM 306 OG SER A 19 0.655 -0.379 -6.191 1.00 0.00 O ATOM 0 H SER A 19 0.428 2.014 -5.990 1.00 0.00 H new ATOM 0 HA SER A 19 1.673 0.677 -3.854 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.409 0.520 -6.794 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.592 -0.729 -5.579 1.00 0.00 H new ATOM 0 HG SER A 19 0.142 0.324 -6.642 1.00 0.00 H new ATOM 312 N LEU A 20 3.464 2.877 -5.470 1.00 0.00 N ATOM 313 CA LEU A 20 4.692 3.658 -5.454 1.00 0.00 C ATOM 314 C LEU A 20 4.768 4.567 -4.215 1.00 0.00 C ATOM 315 O LEU A 20 5.793 4.594 -3.539 1.00 0.00 O ATOM 316 CB LEU A 20 4.804 4.479 -6.742 1.00 0.00 C ATOM 317 CG LEU A 20 4.948 3.656 -8.026 1.00 0.00 C ATOM 318 CD1 LEU A 20 4.885 4.546 -9.259 1.00 0.00 C ATOM 319 CD2 LEU A 20 6.245 2.873 -8.004 1.00 0.00 C ATOM 0 H LEU A 20 2.769 3.205 -6.141 1.00 0.00 H new ATOM 0 HA LEU A 20 5.534 2.969 -5.399 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.920 5.110 -6.830 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.663 5.144 -6.657 1.00 0.00 H new ATOM 0 HG LEU A 20 4.114 2.956 -8.075 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.990 3.934 -10.155 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.927 5.065 -9.284 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.693 5.277 -9.222 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.335 2.292 -8.922 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.085 3.563 -7.927 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.249 2.200 -7.147 1.00 0.00 H new ATOM 331 N ASP A 21 3.701 5.321 -3.920 1.00 0.00 N ATOM 332 CA ASP A 21 3.639 6.122 -2.706 1.00 0.00 C ATOM 333 C ASP A 21 3.935 5.256 -1.487 1.00 0.00 C ATOM 334 O ASP A 21 4.694 5.639 -0.589 1.00 0.00 O ATOM 335 CB ASP A 21 2.283 6.785 -2.550 1.00 0.00 C ATOM 336 CG ASP A 21 1.621 7.198 -3.847 1.00 0.00 C ATOM 337 OD1 ASP A 21 2.293 7.852 -4.679 1.00 0.00 O ATOM 338 OD2 ASP A 21 0.414 6.946 -4.011 1.00 0.00 O ATOM 0 H ASP A 21 2.872 5.388 -4.510 1.00 0.00 H new ATOM 0 HA ASP A 21 4.393 6.905 -2.785 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.619 6.100 -2.022 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.397 7.667 -1.920 1.00 0.00 H new ATOM 343 N ILE A 22 3.364 4.067 -1.496 1.00 0.00 N ATOM 344 CA ILE A 22 3.561 3.110 -0.419 1.00 0.00 C ATOM 345 C ILE A 22 5.013 2.625 -0.368 1.00 0.00 C ATOM 346 O ILE A 22 5.602 2.536 0.703 1.00 0.00 O ATOM 347 CB ILE A 22 2.589 1.917 -0.538 1.00 0.00 C ATOM 348 CG1 ILE A 22 1.153 2.367 -0.273 1.00 0.00 C ATOM 349 CG2 ILE A 22 2.959 0.829 0.446 1.00 0.00 C ATOM 350 CD1 ILE A 22 0.125 1.342 -0.683 1.00 0.00 C ATOM 0 H ILE A 22 2.754 3.737 -2.244 1.00 0.00 H new ATOM 0 HA ILE A 22 3.343 3.625 0.517 1.00 0.00 H new ATOM 0 HB ILE A 22 2.663 1.525 -1.552 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.037 2.584 0.789 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.965 3.296 -0.811 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.262 -0.003 0.347 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.971 0.481 0.240 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.910 1.224 1.461 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.874 1.722 -0.469 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.216 1.142 -1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.289 0.419 -0.126 1.00 0.00 H new ATOM 362 N ASN A 23 5.601 2.348 -1.524 1.00 0.00 N ATOM 363 CA ASN A 23 6.978 1.853 -1.573 1.00 0.00 C ATOM 364 C ASN A 23 7.982 2.973 -1.284 1.00 0.00 C ATOM 365 O ASN A 23 9.171 2.713 -1.077 1.00 0.00 O ATOM 366 CB ASN A 23 7.267 1.174 -2.926 1.00 0.00 C ATOM 367 CG ASN A 23 7.974 2.060 -3.945 1.00 0.00 C ATOM 368 OD1 ASN A 23 7.340 2.768 -4.712 1.00 0.00 O ATOM 369 ND2 ASN A 23 9.294 1.988 -3.988 1.00 0.00 N ATOM 0 H ASN A 23 5.155 2.455 -2.435 1.00 0.00 H new ATOM 0 HA ASN A 23 7.094 1.103 -0.791 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.877 0.288 -2.750 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.325 0.832 -3.354 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.812 2.534 -4.676 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.794 1.387 -3.333 1.00 0.00 H new ATOM 376 N LYS A 24 7.509 4.218 -1.273 1.00 0.00 N ATOM 377 CA LYS A 24 8.340 5.344 -0.861 1.00 0.00 C ATOM 378 C LYS A 24 8.601 5.298 0.636 1.00 0.00 C ATOM 379 O LYS A 24 9.637 5.766 1.107 1.00 0.00 O ATOM 380 CB LYS A 24 7.675 6.671 -1.213 1.00 0.00 C ATOM 381 CG LYS A 24 7.561 6.912 -2.701 1.00 0.00 C ATOM 382 CD LYS A 24 6.775 8.175 -2.997 1.00 0.00 C ATOM 383 CE LYS A 24 6.222 8.176 -4.411 1.00 0.00 C ATOM 384 NZ LYS A 24 7.298 8.165 -5.435 1.00 0.00 N ATOM 0 H LYS A 24 6.559 4.470 -1.544 1.00 0.00 H new ATOM 0 HA LYS A 24 9.286 5.267 -1.396 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.679 6.698 -0.771 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.245 7.484 -0.764 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.557 6.991 -3.136 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.074 6.059 -3.173 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.954 8.268 -2.286 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.418 9.044 -2.857 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.582 7.304 -4.550 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.596 9.057 -4.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.875 8.217 -6.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.924 8.983 -5.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.849 7.287 -5.350 1.00 0.00 H new ATOM 398 N LEU A 25 7.644 4.752 1.380 1.00 0.00 N ATOM 399 CA LEU A 25 7.761 4.640 2.823 1.00 0.00 C ATOM 400 C LEU A 25 8.976 3.819 3.222 1.00 0.00 C ATOM 401 O LEU A 25 9.347 2.859 2.542 1.00 0.00 O ATOM 402 CB LEU A 25 6.529 3.965 3.412 1.00 0.00 C ATOM 403 CG LEU A 25 5.181 4.468 2.926 1.00 0.00 C ATOM 404 CD1 LEU A 25 4.093 3.585 3.496 1.00 0.00 C ATOM 405 CD2 LEU A 25 4.955 5.913 3.343 1.00 0.00 C ATOM 0 H LEU A 25 6.774 4.379 1.000 1.00 0.00 H new ATOM 0 HA LEU A 25 7.862 5.655 3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.591 2.898 3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.564 4.077 4.496 1.00 0.00 H new ATOM 0 HG LEU A 25 5.159 4.429 1.837 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.121 3.938 3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.245 2.559 3.162 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.128 3.621 4.585 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.983 6.248 2.982 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.984 5.987 4.430 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.737 6.541 2.916 1.00 0.00 H new ATOM 417 N PRO A 26 9.623 4.208 4.324 1.00 0.00 N ATOM 418 CA PRO A 26 10.653 3.387 4.954 1.00 0.00 C ATOM 419 C PRO A 26 10.081 2.042 5.405 1.00 0.00 C ATOM 420 O PRO A 26 8.871 1.927 5.625 1.00 0.00 O ATOM 421 CB PRO A 26 11.117 4.203 6.165 1.00 0.00 C ATOM 422 CG PRO A 26 10.545 5.578 5.997 1.00 0.00 C ATOM 423 CD PRO A 26 9.413 5.494 5.005 1.00 0.00 C ATOM 0 HA PRO A 26 11.469 3.161 4.267 1.00 0.00 H new ATOM 0 HB2 PRO A 26 10.771 3.750 7.094 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.205 4.239 6.214 1.00 0.00 H new ATOM 0 HG2 PRO A 26 10.187 5.961 6.953 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.311 6.269 5.644 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.444 5.527 5.503 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.438 6.326 4.301 1.00 0.00 H new ATOM 431 N GLY A 27 10.945 1.041 5.551 1.00 0.00 N ATOM 432 CA GLY A 27 10.500 -0.327 5.812 1.00 0.00 C ATOM 433 C GLY A 27 9.464 -0.444 6.924 1.00 0.00 C ATOM 434 O GLY A 27 8.459 -1.144 6.767 1.00 0.00 O ATOM 0 H GLY A 27 11.957 1.150 5.493 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.082 -0.742 4.895 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.366 -0.936 6.072 1.00 0.00 H new ATOM 438 N GLU A 28 9.708 0.238 8.038 1.00 0.00 N ATOM 439 CA GLU A 28 8.793 0.232 9.183 1.00 0.00 C ATOM 440 C GLU A 28 7.383 0.672 8.776 1.00 0.00 C ATOM 441 O GLU A 28 6.383 0.104 9.222 1.00 0.00 O ATOM 442 CB GLU A 28 9.331 1.169 10.271 1.00 0.00 C ATOM 443 CG GLU A 28 8.442 1.280 11.500 1.00 0.00 C ATOM 444 CD GLU A 28 8.355 -0.011 12.292 1.00 0.00 C ATOM 445 OE1 GLU A 28 7.266 -0.626 12.321 1.00 0.00 O ATOM 446 OE2 GLU A 28 9.371 -0.419 12.891 1.00 0.00 O ATOM 0 H GLU A 28 10.541 0.810 8.176 1.00 0.00 H new ATOM 0 HA GLU A 28 8.731 -0.787 9.564 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.316 0.819 10.580 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.465 2.163 9.844 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.823 2.070 12.146 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.440 1.577 11.190 1.00 0.00 H new ATOM 453 N LYS A 29 7.307 1.662 7.901 1.00 0.00 N ATOM 454 CA LYS A 29 6.033 2.253 7.524 1.00 0.00 C ATOM 455 C LYS A 29 5.250 1.339 6.585 1.00 0.00 C ATOM 456 O LYS A 29 4.025 1.384 6.543 1.00 0.00 O ATOM 457 CB LYS A 29 6.241 3.626 6.882 1.00 0.00 C ATOM 458 CG LYS A 29 6.508 4.776 7.871 1.00 0.00 C ATOM 459 CD LYS A 29 5.849 4.598 9.233 1.00 0.00 C ATOM 460 CE LYS A 29 6.234 5.739 10.158 1.00 0.00 C ATOM 461 NZ LYS A 29 6.310 7.044 9.446 1.00 0.00 N ATOM 0 H LYS A 29 8.116 2.075 7.437 1.00 0.00 H new ATOM 0 HA LYS A 29 5.447 2.379 8.434 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.079 3.562 6.188 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.358 3.872 6.293 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.584 4.876 8.012 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.156 5.708 7.429 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.766 4.563 9.119 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.154 3.647 9.671 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.505 5.810 10.966 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.198 5.522 10.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.152 7.818 10.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.250 7.149 9.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.581 7.078 8.705 1.00 0.00 H new ATOM 475 N LEU A 30 5.943 0.489 5.850 1.00 0.00 N ATOM 476 CA LEU A 30 5.257 -0.489 5.018 1.00 0.00 C ATOM 477 C LEU A 30 4.678 -1.599 5.886 1.00 0.00 C ATOM 478 O LEU A 30 3.846 -2.382 5.436 1.00 0.00 O ATOM 479 CB LEU A 30 6.182 -1.059 3.947 1.00 0.00 C ATOM 480 CG LEU A 30 6.590 -0.072 2.861 1.00 0.00 C ATOM 481 CD1 LEU A 30 8.086 -0.094 2.640 1.00 0.00 C ATOM 482 CD2 LEU A 30 5.877 -0.391 1.572 1.00 0.00 C ATOM 0 H LEU A 30 6.962 0.453 5.810 1.00 0.00 H new ATOM 0 HA LEU A 30 4.439 0.016 4.503 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.083 -1.438 4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.689 -1.910 3.477 1.00 0.00 H new ATOM 0 HG LEU A 30 6.306 0.927 3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.349 0.620 1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.595 0.176 3.565 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.394 -1.094 2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.177 0.322 0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.137 -1.400 1.252 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.800 -0.326 1.726 1.00 0.00 H new ATOM 494 N GLY A 31 5.098 -1.633 7.145 1.00 0.00 N ATOM 495 CA GLY A 31 4.528 -2.569 8.093 1.00 0.00 C ATOM 496 C GLY A 31 3.089 -2.229 8.424 1.00 0.00 C ATOM 497 O GLY A 31 2.345 -3.054 8.949 1.00 0.00 O ATOM 0 H GLY A 31 5.825 -1.027 7.526 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.578 -3.578 7.683 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.121 -2.567 9.007 1.00 0.00 H new ATOM 501 N ARG A 32 2.711 -1.001 8.117 1.00 0.00 N ATOM 502 CA ARG A 32 1.339 -0.547 8.295 1.00 0.00 C ATOM 503 C ARG A 32 0.445 -0.987 7.135 1.00 0.00 C ATOM 504 O ARG A 32 -0.618 -1.554 7.355 1.00 0.00 O ATOM 505 CB ARG A 32 1.306 0.971 8.428 1.00 0.00 C ATOM 506 CG ARG A 32 -0.076 1.575 8.209 1.00 0.00 C ATOM 507 CD ARG A 32 -0.772 1.895 9.516 1.00 0.00 C ATOM 508 NE ARG A 32 0.007 2.804 10.351 1.00 0.00 N ATOM 509 CZ ARG A 32 -0.406 3.281 11.524 1.00 0.00 C ATOM 510 NH1 ARG A 32 -1.597 2.947 12.002 1.00 0.00 N ATOM 511 NH2 ARG A 32 0.379 4.091 12.221 1.00 0.00 N ATOM 0 H ARG A 32 3.340 -0.293 7.739 1.00 0.00 H new ATOM 0 HA ARG A 32 0.953 -1.003 9.207 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.661 1.248 9.421 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.001 1.405 7.709 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.016 2.485 7.616 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.688 0.880 7.634 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.745 2.341 9.307 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.956 0.970 10.063 1.00 0.00 H new ATOM 0 HE ARG A 32 0.926 3.092 10.015 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.203 2.321 11.471 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.907 3.316 12.901 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.297 4.348 11.859 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.065 4.457 13.119 1.00 0.00 H new ATOM 525 N VAL A 33 0.866 -0.705 5.901 1.00 0.00 N ATOM 526 CA VAL A 33 0.085 -1.081 4.720 1.00 0.00 C ATOM 527 C VAL A 33 -0.120 -2.583 4.644 1.00 0.00 C ATOM 528 O VAL A 33 -1.216 -3.033 4.327 1.00 0.00 O ATOM 529 CB VAL A 33 0.724 -0.573 3.411 1.00 0.00 C ATOM 530 CG1 VAL A 33 0.361 0.885 3.179 1.00 0.00 C ATOM 531 CG2 VAL A 33 2.231 -0.732 3.440 1.00 0.00 C ATOM 0 H VAL A 33 1.739 -0.220 5.693 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.886 -0.598 4.831 1.00 0.00 H new ATOM 0 HB VAL A 33 0.333 -1.175 2.591 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.818 1.231 2.252 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.722 0.983 3.108 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.726 1.488 4.011 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.654 -0.366 2.504 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.641 -0.160 4.272 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.483 -1.785 3.564 1.00 0.00 H new ATOM 541 N VAL A 34 0.914 -3.361 4.954 1.00 0.00 N ATOM 542 CA VAL A 34 0.763 -4.803 4.989 1.00 0.00 C ATOM 543 C VAL A 34 -0.277 -5.183 6.038 1.00 0.00 C ATOM 544 O VAL A 34 -1.124 -6.033 5.800 1.00 0.00 O ATOM 545 CB VAL A 34 2.099 -5.536 5.261 1.00 0.00 C ATOM 546 CG1 VAL A 34 3.150 -5.127 4.248 1.00 0.00 C ATOM 547 CG2 VAL A 34 2.601 -5.286 6.669 1.00 0.00 C ATOM 0 H VAL A 34 1.848 -3.020 5.180 1.00 0.00 H new ATOM 0 HA VAL A 34 0.428 -5.122 4.002 1.00 0.00 H new ATOM 0 HB VAL A 34 1.909 -6.605 5.161 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.081 -5.654 4.457 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.807 -5.381 3.245 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.319 -4.052 4.313 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.540 -5.818 6.820 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.761 -4.218 6.814 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.863 -5.643 7.387 1.00 0.00 H new ATOM 557 N HIS A 35 -0.239 -4.495 7.174 1.00 0.00 N ATOM 558 CA HIS A 35 -1.195 -4.717 8.248 1.00 0.00 C ATOM 559 C HIS A 35 -2.605 -4.333 7.798 1.00 0.00 C ATOM 560 O HIS A 35 -3.552 -5.085 8.022 1.00 0.00 O ATOM 561 CB HIS A 35 -0.771 -3.923 9.490 1.00 0.00 C ATOM 562 CG HIS A 35 -1.764 -3.938 10.615 1.00 0.00 C ATOM 563 ND1 HIS A 35 -1.810 -4.928 11.572 1.00 0.00 N ATOM 564 CD2 HIS A 35 -2.740 -3.058 10.940 1.00 0.00 C ATOM 565 CE1 HIS A 35 -2.771 -4.658 12.436 1.00 0.00 C ATOM 566 NE2 HIS A 35 -3.348 -3.529 12.074 1.00 0.00 N ATOM 0 H HIS A 35 0.452 -3.772 7.374 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.208 -5.776 8.504 1.00 0.00 H new ATOM 0 HB2 HIS A 35 0.175 -4.323 9.854 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -0.589 -2.889 9.198 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -2.992 -2.154 10.406 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -3.039 -5.259 13.293 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.123 -3.078 12.560 1.00 0.00 H new ATOM 575 N ILE A 36 -2.740 -3.169 7.162 1.00 0.00 N ATOM 576 CA ILE A 36 -4.028 -2.751 6.622 1.00 0.00 C ATOM 577 C ILE A 36 -4.529 -3.778 5.619 1.00 0.00 C ATOM 578 O ILE A 36 -5.555 -4.417 5.841 1.00 0.00 O ATOM 579 CB ILE A 36 -3.988 -1.369 5.926 1.00 0.00 C ATOM 580 CG1 ILE A 36 -3.690 -0.255 6.922 1.00 0.00 C ATOM 581 CG2 ILE A 36 -5.332 -1.114 5.258 1.00 0.00 C ATOM 582 CD1 ILE A 36 -3.378 1.069 6.262 1.00 0.00 C ATOM 0 H ILE A 36 -1.980 -2.506 7.010 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.699 -2.671 7.477 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.191 -1.375 5.183 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.547 -0.130 7.584 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.846 -0.550 7.545 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.314 -0.142 4.764 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.525 -1.892 4.520 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.120 -1.124 6.011 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.175 1.818 7.027 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.503 0.959 5.621 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.230 1.386 5.661 1.00 0.00 H new ATOM 594 N ILE A 37 -3.792 -3.941 4.529 1.00 0.00 N ATOM 595 CA ILE A 37 -4.158 -4.886 3.486 1.00 0.00 C ATOM 596 C ILE A 37 -4.493 -6.270 4.052 1.00 0.00 C ATOM 597 O ILE A 37 -5.576 -6.772 3.819 1.00 0.00 O ATOM 598 CB ILE A 37 -3.050 -5.016 2.435 1.00 0.00 C ATOM 599 CG1 ILE A 37 -3.073 -3.816 1.503 1.00 0.00 C ATOM 600 CG2 ILE A 37 -3.227 -6.293 1.647 1.00 0.00 C ATOM 601 CD1 ILE A 37 -1.729 -3.173 1.316 1.00 0.00 C ATOM 0 H ILE A 37 -2.931 -3.426 4.345 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.054 -4.485 3.011 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.085 -5.049 2.942 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.455 -4.129 0.531 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.769 -3.075 1.896 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.434 -6.375 0.903 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.180 -7.147 2.323 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.195 -6.280 1.146 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.823 -2.324 0.639 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.353 -2.829 2.279 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.034 -3.899 0.894 1.00 0.00 H new ATOM 613 N GLN A 38 -3.579 -6.865 4.814 1.00 0.00 N ATOM 614 CA GLN A 38 -3.776 -8.224 5.333 1.00 0.00 C ATOM 615 C GLN A 38 -5.050 -8.335 6.179 1.00 0.00 C ATOM 616 O GLN A 38 -5.742 -9.354 6.134 1.00 0.00 O ATOM 617 CB GLN A 38 -2.570 -8.656 6.168 1.00 0.00 C ATOM 618 CG GLN A 38 -1.335 -8.988 5.348 1.00 0.00 C ATOM 619 CD GLN A 38 -0.083 -9.108 6.194 1.00 0.00 C ATOM 620 OE1 GLN A 38 0.046 -8.469 7.239 1.00 0.00 O ATOM 621 NE2 GLN A 38 0.851 -9.927 5.750 1.00 0.00 N ATOM 0 H GLN A 38 -2.696 -6.433 5.087 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.882 -8.884 4.472 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.324 -7.859 6.870 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.845 -9.529 6.760 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.499 -9.925 4.815 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.186 -8.215 4.594 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.708 -10.440 4.880 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.716 -10.048 6.277 1.00 0.00 H new ATOM 630 N SER A 39 -5.347 -7.303 6.966 1.00 0.00 N ATOM 631 CA SER A 39 -6.541 -7.303 7.795 1.00 0.00 C ATOM 632 C SER A 39 -7.802 -7.138 6.946 1.00 0.00 C ATOM 633 O SER A 39 -8.822 -7.793 7.180 1.00 0.00 O ATOM 634 CB SER A 39 -6.456 -6.194 8.849 1.00 0.00 C ATOM 635 OG SER A 39 -6.421 -4.901 8.264 1.00 0.00 O ATOM 0 H SER A 39 -4.777 -6.461 7.044 1.00 0.00 H new ATOM 0 HA SER A 39 -6.601 -8.266 8.302 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.313 -6.265 9.519 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.563 -6.340 9.457 1.00 0.00 H new ATOM 0 HG SER A 39 -5.813 -4.906 7.496 1.00 0.00 H new ATOM 641 N ARG A 40 -7.716 -6.263 5.952 1.00 0.00 N ATOM 642 CA ARG A 40 -8.838 -5.982 5.067 1.00 0.00 C ATOM 643 C ARG A 40 -8.999 -7.104 4.040 1.00 0.00 C ATOM 644 O ARG A 40 -10.087 -7.326 3.508 1.00 0.00 O ATOM 645 CB ARG A 40 -8.627 -4.631 4.359 1.00 0.00 C ATOM 646 CG ARG A 40 -8.325 -3.478 5.311 1.00 0.00 C ATOM 647 CD ARG A 40 -8.892 -2.155 4.827 1.00 0.00 C ATOM 648 NE ARG A 40 -10.352 -2.155 4.750 1.00 0.00 N ATOM 649 CZ ARG A 40 -11.128 -1.236 5.327 1.00 0.00 C ATOM 650 NH1 ARG A 40 -10.597 -0.299 6.108 1.00 0.00 N ATOM 651 NH2 ARG A 40 -12.443 -1.265 5.137 1.00 0.00 N ATOM 0 H ARG A 40 -6.872 -5.732 5.738 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.750 -5.926 5.662 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.806 -4.728 3.649 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.520 -4.390 3.783 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.736 -3.707 6.294 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.246 -3.384 5.431 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.569 -1.360 5.499 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.481 -1.928 3.843 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.804 -2.902 4.224 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.590 -0.280 6.269 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.197 0.400 6.546 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.858 -1.989 4.551 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.038 -0.563 5.578 1.00 0.00 H new ATOM 665 N GLU A 41 -7.909 -7.813 3.782 1.00 0.00 N ATOM 666 CA GLU A 41 -7.880 -8.884 2.794 1.00 0.00 C ATOM 667 C GLU A 41 -7.397 -10.188 3.435 1.00 0.00 C ATOM 668 O GLU A 41 -6.225 -10.554 3.304 1.00 0.00 O ATOM 669 CB GLU A 41 -6.949 -8.502 1.642 1.00 0.00 C ATOM 670 CG GLU A 41 -7.172 -7.092 1.117 1.00 0.00 C ATOM 671 CD GLU A 41 -8.512 -6.929 0.433 1.00 0.00 C ATOM 672 OE1 GLU A 41 -9.087 -5.820 0.489 1.00 0.00 O ATOM 673 OE2 GLU A 41 -9.014 -7.914 -0.153 1.00 0.00 O ATOM 0 H GLU A 41 -7.017 -7.662 4.253 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.889 -9.032 2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.916 -8.597 1.975 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.087 -9.210 0.825 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.102 -6.385 1.944 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.377 -6.840 0.415 1.00 0.00 H new ATOM 680 N PRO A 42 -8.295 -10.910 4.131 1.00 0.00 N ATOM 681 CA PRO A 42 -7.947 -12.139 4.879 1.00 0.00 C ATOM 682 C PRO A 42 -7.330 -13.253 4.022 1.00 0.00 C ATOM 683 O PRO A 42 -6.876 -14.270 4.549 1.00 0.00 O ATOM 684 CB PRO A 42 -9.292 -12.611 5.440 1.00 0.00 C ATOM 685 CG PRO A 42 -10.161 -11.402 5.447 1.00 0.00 C ATOM 686 CD PRO A 42 -9.726 -10.568 4.278 1.00 0.00 C ATOM 0 HA PRO A 42 -7.185 -11.921 5.627 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.721 -13.400 4.822 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.178 -13.019 6.444 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.212 -11.677 5.359 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.053 -10.850 6.381 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.292 -10.810 3.378 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.868 -9.504 4.468 1.00 0.00 H new ATOM 694 N SER A 43 -7.302 -13.066 2.712 1.00 0.00 N ATOM 695 CA SER A 43 -6.828 -14.096 1.809 1.00 0.00 C ATOM 696 C SER A 43 -5.308 -14.053 1.656 1.00 0.00 C ATOM 697 O SER A 43 -4.685 -15.053 1.304 1.00 0.00 O ATOM 698 CB SER A 43 -7.502 -13.920 0.446 1.00 0.00 C ATOM 699 OG SER A 43 -8.912 -13.953 0.579 1.00 0.00 O ATOM 0 H SER A 43 -7.603 -12.207 2.252 1.00 0.00 H new ATOM 0 HA SER A 43 -7.087 -15.069 2.228 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.195 -12.973 0.002 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.177 -14.710 -0.231 1.00 0.00 H new ATOM 0 HG SER A 43 -9.326 -13.837 -0.301 1.00 0.00 H new ATOM 705 N LEU A 44 -4.701 -12.907 1.936 1.00 0.00 N ATOM 706 CA LEU A 44 -3.273 -12.754 1.699 1.00 0.00 C ATOM 707 C LEU A 44 -2.466 -12.730 2.990 1.00 0.00 C ATOM 708 O LEU A 44 -1.311 -12.301 3.001 1.00 0.00 O ATOM 709 CB LEU A 44 -2.993 -11.509 0.858 1.00 0.00 C ATOM 710 CG LEU A 44 -3.579 -10.206 1.365 1.00 0.00 C ATOM 711 CD1 LEU A 44 -2.615 -9.544 2.324 1.00 0.00 C ATOM 712 CD2 LEU A 44 -3.900 -9.299 0.191 1.00 0.00 C ATOM 0 H LEU A 44 -5.165 -12.084 2.320 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.949 -13.633 1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.913 -11.388 0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.372 -11.685 -0.149 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.505 -10.406 1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.044 -8.609 2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.430 -10.207 3.169 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.675 -9.339 1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.321 -8.363 0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.988 -9.091 -0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.622 -9.790 -0.461 1.00 0.00 H new ATOM 724 N LYS A 45 -3.046 -13.225 4.072 1.00 0.00 N ATOM 725 CA LYS A 45 -2.319 -13.294 5.331 1.00 0.00 C ATOM 726 C LYS A 45 -1.357 -14.479 5.329 1.00 0.00 C ATOM 727 O LYS A 45 -0.724 -14.782 6.334 1.00 0.00 O ATOM 728 CB LYS A 45 -3.264 -13.345 6.537 1.00 0.00 C ATOM 729 CG LYS A 45 -4.147 -14.580 6.608 1.00 0.00 C ATOM 730 CD LYS A 45 -5.321 -14.386 7.563 1.00 0.00 C ATOM 731 CE LYS A 45 -4.910 -14.530 9.024 1.00 0.00 C ATOM 732 NZ LYS A 45 -6.032 -14.226 9.946 1.00 0.00 N ATOM 0 H LYS A 45 -4.002 -13.580 4.106 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.736 -12.378 5.427 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.669 -13.289 7.449 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.902 -12.461 6.518 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.524 -14.815 5.612 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.552 -15.434 6.933 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.755 -13.398 7.406 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.098 -15.115 7.333 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.557 -15.546 9.204 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.076 -13.861 9.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.712 -14.335 10.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.352 -13.249 9.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.819 -14.881 9.763 1.00 0.00 H new ATOM 746 N ASN A 46 -1.257 -15.150 4.183 1.00 0.00 N ATOM 747 CA ASN A 46 -0.252 -16.187 3.991 1.00 0.00 C ATOM 748 C ASN A 46 1.108 -15.535 3.777 1.00 0.00 C ATOM 749 O ASN A 46 2.150 -16.097 4.120 1.00 0.00 O ATOM 750 CB ASN A 46 -0.596 -17.084 2.795 1.00 0.00 C ATOM 751 CG ASN A 46 -1.946 -17.765 2.934 1.00 0.00 C ATOM 752 OD1 ASN A 46 -2.068 -18.800 3.593 1.00 0.00 O ATOM 753 ND2 ASN A 46 -2.963 -17.210 2.287 1.00 0.00 N ATOM 0 H ASN A 46 -1.860 -14.992 3.376 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.228 -16.814 4.882 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.589 -16.485 1.885 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.178 -17.843 2.683 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.887 -17.640 2.324 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.821 -16.353 1.753 1.00 0.00 H new ATOM 760 N SER A 47 1.088 -14.335 3.208 1.00 0.00 N ATOM 761 CA SER A 47 2.298 -13.550 3.043 1.00 0.00 C ATOM 762 C SER A 47 2.747 -13.000 4.390 1.00 0.00 C ATOM 763 O SER A 47 1.986 -12.321 5.078 1.00 0.00 O ATOM 764 CB SER A 47 2.065 -12.410 2.050 1.00 0.00 C ATOM 765 OG SER A 47 1.785 -12.911 0.757 1.00 0.00 O ATOM 0 H SER A 47 0.243 -13.887 2.854 1.00 0.00 H new ATOM 0 HA SER A 47 3.083 -14.193 2.646 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.236 -11.790 2.391 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.947 -11.770 2.013 1.00 0.00 H new ATOM 0 HG SER A 47 1.638 -12.163 0.141 1.00 0.00 H new ATOM 771 N ASN A 48 3.970 -13.323 4.772 1.00 0.00 N ATOM 772 CA ASN A 48 4.541 -12.837 6.023 1.00 0.00 C ATOM 773 C ASN A 48 4.922 -11.376 5.841 1.00 0.00 C ATOM 774 O ASN A 48 5.539 -11.060 4.837 1.00 0.00 O ATOM 775 CB ASN A 48 5.797 -13.644 6.384 1.00 0.00 C ATOM 776 CG ASN A 48 5.855 -14.056 7.844 1.00 0.00 C ATOM 777 OD1 ASN A 48 5.328 -13.374 8.719 1.00 0.00 O ATOM 778 ND2 ASN A 48 6.517 -15.170 8.117 1.00 0.00 N ATOM 0 H ASN A 48 4.593 -13.924 4.232 1.00 0.00 H new ATOM 0 HA ASN A 48 3.810 -12.947 6.824 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.836 -14.538 5.761 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.680 -13.051 6.147 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.603 -15.489 9.082 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.941 -15.709 7.362 1.00 0.00 H new ATOM 785 N PRO A 49 4.567 -10.458 6.758 1.00 0.00 N ATOM 786 CA PRO A 49 4.797 -9.012 6.540 1.00 0.00 C ATOM 787 C PRO A 49 6.229 -8.684 6.104 1.00 0.00 C ATOM 788 O PRO A 49 6.440 -7.875 5.202 1.00 0.00 O ATOM 789 CB PRO A 49 4.484 -8.400 7.908 1.00 0.00 C ATOM 790 CG PRO A 49 3.533 -9.360 8.545 1.00 0.00 C ATOM 791 CD PRO A 49 3.946 -10.728 8.074 1.00 0.00 C ATOM 0 HA PRO A 49 4.181 -8.623 5.729 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.388 -8.283 8.506 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.039 -7.410 7.806 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.579 -9.291 9.632 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.505 -9.141 8.255 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.649 -11.196 8.763 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.091 -11.399 7.986 1.00 0.00 H new ATOM 799 N ASP A 50 7.193 -9.378 6.690 1.00 0.00 N ATOM 800 CA ASP A 50 8.612 -9.106 6.457 1.00 0.00 C ATOM 801 C ASP A 50 9.063 -9.628 5.083 1.00 0.00 C ATOM 802 O ASP A 50 10.114 -9.249 4.559 1.00 0.00 O ATOM 803 CB ASP A 50 9.426 -9.719 7.605 1.00 0.00 C ATOM 804 CG ASP A 50 10.888 -9.940 7.272 1.00 0.00 C ATOM 805 OD1 ASP A 50 11.250 -11.068 6.866 1.00 0.00 O ATOM 806 OD2 ASP A 50 11.687 -8.995 7.439 1.00 0.00 O ATOM 0 H ASP A 50 7.019 -10.145 7.340 1.00 0.00 H new ATOM 0 HA ASP A 50 8.782 -8.029 6.441 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.356 -9.067 8.475 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.979 -10.673 7.885 1.00 0.00 H new ATOM 811 N GLU A 51 8.225 -10.469 4.497 1.00 0.00 N ATOM 812 CA GLU A 51 8.444 -11.018 3.158 1.00 0.00 C ATOM 813 C GLU A 51 7.187 -10.828 2.317 1.00 0.00 C ATOM 814 O GLU A 51 6.859 -11.654 1.462 1.00 0.00 O ATOM 815 CB GLU A 51 8.809 -12.503 3.210 1.00 0.00 C ATOM 816 CG GLU A 51 10.214 -12.794 3.708 1.00 0.00 C ATOM 817 CD GLU A 51 10.446 -14.271 3.924 1.00 0.00 C ATOM 818 OE1 GLU A 51 10.962 -14.937 3.000 1.00 0.00 O ATOM 819 OE2 GLU A 51 10.109 -14.777 5.015 1.00 0.00 O ATOM 0 H GLU A 51 7.365 -10.796 4.937 1.00 0.00 H new ATOM 0 HA GLU A 51 9.280 -10.483 2.707 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.096 -13.016 3.855 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.697 -12.926 2.212 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.939 -12.415 2.988 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.385 -12.260 4.643 1.00 0.00 H new ATOM 826 N ILE A 52 6.469 -9.755 2.608 1.00 0.00 N ATOM 827 CA ILE A 52 5.164 -9.491 2.016 1.00 0.00 C ATOM 828 C ILE A 52 5.233 -9.350 0.490 1.00 0.00 C ATOM 829 O ILE A 52 6.247 -8.930 -0.074 1.00 0.00 O ATOM 830 CB ILE A 52 4.573 -8.188 2.604 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.100 -8.025 2.246 1.00 0.00 C ATOM 832 CG2 ILE A 52 5.331 -7.010 2.059 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.199 -9.128 2.739 1.00 0.00 C ATOM 0 H ILE A 52 6.776 -9.038 3.265 1.00 0.00 H new ATOM 0 HA ILE A 52 4.530 -10.346 2.252 1.00 0.00 H new ATOM 0 HB ILE A 52 4.662 -8.242 3.689 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.745 -7.078 2.652 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.010 -7.960 1.162 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.918 -6.089 2.471 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.382 -7.093 2.338 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.244 -6.993 0.973 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.173 -8.923 2.435 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.520 -10.078 2.313 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.252 -9.182 3.826 1.00 0.00 H new ATOM 845 N GLU A 53 4.152 -9.742 -0.166 1.00 0.00 N ATOM 846 CA GLU A 53 3.950 -9.458 -1.571 1.00 0.00 C ATOM 847 C GLU A 53 2.474 -9.093 -1.768 1.00 0.00 C ATOM 848 O GLU A 53 1.617 -9.975 -1.860 1.00 0.00 O ATOM 849 CB GLU A 53 4.337 -10.684 -2.411 1.00 0.00 C ATOM 850 CG GLU A 53 4.668 -10.371 -3.863 1.00 0.00 C ATOM 851 CD GLU A 53 4.885 -11.624 -4.698 1.00 0.00 C ATOM 852 OE1 GLU A 53 5.205 -11.503 -5.901 1.00 0.00 O ATOM 853 OE2 GLU A 53 4.748 -12.741 -4.155 1.00 0.00 O ATOM 0 H GLU A 53 3.391 -10.267 0.265 1.00 0.00 H new ATOM 0 HA GLU A 53 4.577 -8.627 -1.895 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.199 -11.168 -1.951 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.517 -11.401 -2.384 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.858 -9.785 -4.298 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.565 -9.753 -3.902 1.00 0.00 H new ATOM 860 N ILE A 54 2.182 -7.795 -1.809 1.00 0.00 N ATOM 861 CA ILE A 54 0.800 -7.313 -1.832 1.00 0.00 C ATOM 862 C ILE A 54 0.272 -7.242 -3.255 1.00 0.00 C ATOM 863 O ILE A 54 0.893 -6.644 -4.134 1.00 0.00 O ATOM 864 CB ILE A 54 0.658 -5.912 -1.186 1.00 0.00 C ATOM 865 CG1 ILE A 54 1.140 -5.936 0.266 1.00 0.00 C ATOM 866 CG2 ILE A 54 -0.796 -5.444 -1.250 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.297 -4.562 0.873 1.00 0.00 C ATOM 0 H ILE A 54 2.884 -7.056 -1.827 1.00 0.00 H new ATOM 0 HA ILE A 54 0.218 -8.029 -1.252 1.00 0.00 H new ATOM 0 HB ILE A 54 1.279 -5.212 -1.745 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.434 -6.510 0.865 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.096 -6.457 0.314 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.881 -4.458 -0.793 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.115 -5.390 -2.291 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.429 -6.150 -0.712 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.641 -4.656 1.903 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.026 -3.991 0.298 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.337 -4.045 0.857 1.00 0.00 H new ATOM 879 N ASP A 55 -0.876 -7.849 -3.479 1.00 0.00 N ATOM 880 CA ASP A 55 -1.514 -7.795 -4.772 1.00 0.00 C ATOM 881 C ASP A 55 -2.486 -6.625 -4.802 1.00 0.00 C ATOM 882 O ASP A 55 -3.623 -6.731 -4.324 1.00 0.00 O ATOM 883 CB ASP A 55 -2.267 -9.094 -5.068 1.00 0.00 C ATOM 884 CG ASP A 55 -1.634 -10.318 -4.445 1.00 0.00 C ATOM 885 OD1 ASP A 55 -0.919 -11.052 -5.157 1.00 0.00 O ATOM 886 OD2 ASP A 55 -1.868 -10.568 -3.243 1.00 0.00 O ATOM 0 H ASP A 55 -1.385 -8.386 -2.777 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.746 -7.664 -5.534 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.291 -9.001 -4.706 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.322 -9.234 -6.148 1.00 0.00 H new ATOM 891 N PHE A 56 -2.049 -5.505 -5.371 1.00 0.00 N ATOM 892 CA PHE A 56 -2.883 -4.306 -5.429 1.00 0.00 C ATOM 893 C PHE A 56 -4.130 -4.565 -6.264 1.00 0.00 C ATOM 894 O PHE A 56 -5.083 -3.788 -6.259 1.00 0.00 O ATOM 895 CB PHE A 56 -2.106 -3.125 -6.009 1.00 0.00 C ATOM 896 CG PHE A 56 -2.390 -1.868 -5.256 1.00 0.00 C ATOM 897 CD1 PHE A 56 -1.908 -1.723 -3.985 1.00 0.00 C ATOM 898 CD2 PHE A 56 -3.162 -0.858 -5.785 1.00 0.00 C ATOM 899 CE1 PHE A 56 -2.182 -0.613 -3.251 1.00 0.00 C ATOM 900 CE2 PHE A 56 -3.437 0.278 -5.043 1.00 0.00 C ATOM 901 CZ PHE A 56 -2.940 0.384 -3.774 1.00 0.00 C ATOM 0 H PHE A 56 -1.128 -5.401 -5.796 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.181 -4.057 -4.411 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.038 -3.338 -5.976 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.372 -2.991 -7.058 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.298 -2.505 -3.557 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.556 -0.953 -6.786 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.795 -0.524 -2.247 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.038 1.072 -5.462 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.151 1.264 -3.185 1.00 0.00 H new ATOM 911 N GLU A 57 -4.107 -5.682 -6.956 1.00 0.00 N ATOM 912 CA GLU A 57 -5.170 -6.071 -7.847 1.00 0.00 C ATOM 913 C GLU A 57 -6.280 -6.821 -7.123 1.00 0.00 C ATOM 914 O GLU A 57 -7.386 -6.951 -7.641 1.00 0.00 O ATOM 915 CB GLU A 57 -4.578 -6.931 -8.953 1.00 0.00 C ATOM 916 CG GLU A 57 -3.686 -6.152 -9.899 1.00 0.00 C ATOM 917 CD GLU A 57 -4.479 -5.249 -10.821 1.00 0.00 C ATOM 918 OE1 GLU A 57 -4.905 -4.160 -10.384 1.00 0.00 O ATOM 919 OE2 GLU A 57 -4.685 -5.635 -11.991 1.00 0.00 O ATOM 0 H GLU A 57 -3.339 -6.352 -6.913 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.624 -5.173 -8.265 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.003 -7.742 -8.506 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.387 -7.390 -9.521 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.983 -5.551 -9.321 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.096 -6.848 -10.495 1.00 0.00 H new ATOM 926 N THR A 58 -5.997 -7.301 -5.927 1.00 0.00 N ATOM 927 CA THR A 58 -6.970 -8.088 -5.189 1.00 0.00 C ATOM 928 C THR A 58 -7.584 -7.282 -4.056 1.00 0.00 C ATOM 929 O THR A 58 -8.658 -7.619 -3.554 1.00 0.00 O ATOM 930 CB THR A 58 -6.334 -9.375 -4.636 1.00 0.00 C ATOM 931 OG1 THR A 58 -5.254 -9.063 -3.745 1.00 0.00 O ATOM 932 CG2 THR A 58 -5.816 -10.225 -5.778 1.00 0.00 C ATOM 0 H THR A 58 -5.108 -7.162 -5.447 1.00 0.00 H new ATOM 0 HA THR A 58 -7.762 -8.363 -5.885 1.00 0.00 H new ATOM 0 HB THR A 58 -7.096 -9.926 -4.086 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.863 -9.893 -3.402 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.367 -11.135 -5.380 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.641 -10.487 -6.440 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.066 -9.665 -6.337 1.00 0.00 H new ATOM 940 N LEU A 59 -6.912 -6.206 -3.675 1.00 0.00 N ATOM 941 CA LEU A 59 -7.377 -5.365 -2.581 1.00 0.00 C ATOM 942 C LEU A 59 -8.716 -4.734 -2.923 1.00 0.00 C ATOM 943 O LEU A 59 -8.932 -4.290 -4.051 1.00 0.00 O ATOM 944 CB LEU A 59 -6.367 -4.262 -2.289 1.00 0.00 C ATOM 945 CG LEU A 59 -4.910 -4.713 -2.245 1.00 0.00 C ATOM 946 CD1 LEU A 59 -3.993 -3.537 -1.964 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.724 -5.789 -1.199 1.00 0.00 C ATOM 0 H LEU A 59 -6.042 -5.894 -4.107 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.490 -5.996 -1.699 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.468 -3.487 -3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.619 -3.805 -1.332 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.648 -5.125 -3.219 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.959 -3.880 -1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.107 -2.791 -2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.254 -3.094 -1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.680 -6.101 -1.179 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.004 -5.398 -0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.354 -6.645 -1.442 1.00 0.00 H new ATOM 959 N LYS A 60 -9.614 -4.709 -1.955 1.00 0.00 N ATOM 960 CA LYS A 60 -10.906 -4.075 -2.136 1.00 0.00 C ATOM 961 C LYS A 60 -10.738 -2.551 -2.079 1.00 0.00 C ATOM 962 O LYS A 60 -9.859 -2.062 -1.366 1.00 0.00 O ATOM 963 CB LYS A 60 -11.885 -4.584 -1.063 1.00 0.00 C ATOM 964 CG LYS A 60 -11.708 -3.962 0.312 1.00 0.00 C ATOM 965 CD LYS A 60 -12.743 -4.498 1.296 1.00 0.00 C ATOM 966 CE LYS A 60 -12.283 -5.771 2.004 1.00 0.00 C ATOM 967 NZ LYS A 60 -11.623 -6.741 1.088 1.00 0.00 N ATOM 0 H LYS A 60 -9.471 -5.122 -1.033 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.319 -4.331 -3.111 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.903 -4.395 -1.403 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.774 -5.665 -0.974 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.705 -4.173 0.683 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.799 -2.878 0.239 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.961 -3.732 2.040 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.673 -4.699 0.764 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.591 -5.506 2.803 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.143 -6.250 2.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.318 -7.576 1.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.294 -7.033 0.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.795 -6.293 0.646 1.00 0.00 H new ATOM 981 N PRO A 61 -11.537 -1.790 -2.872 1.00 0.00 N ATOM 982 CA PRO A 61 -11.467 -0.323 -2.945 1.00 0.00 C ATOM 983 C PRO A 61 -11.111 0.362 -1.625 1.00 0.00 C ATOM 984 O PRO A 61 -10.219 1.213 -1.588 1.00 0.00 O ATOM 985 CB PRO A 61 -12.882 0.060 -3.361 1.00 0.00 C ATOM 986 CG PRO A 61 -13.393 -1.092 -4.156 1.00 0.00 C ATOM 987 CD PRO A 61 -12.553 -2.304 -3.811 1.00 0.00 C ATOM 0 HA PRO A 61 -10.677 -0.006 -3.625 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.510 0.244 -2.489 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.882 0.975 -3.953 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.443 -1.278 -3.928 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -13.332 -0.877 -5.223 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.156 -3.089 -3.354 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.091 -2.734 -4.700 1.00 0.00 H new ATOM 995 N SER A 62 -11.799 -0.011 -0.550 1.00 0.00 N ATOM 996 CA SER A 62 -11.598 0.632 0.744 1.00 0.00 C ATOM 997 C SER A 62 -10.152 0.501 1.219 1.00 0.00 C ATOM 998 O SER A 62 -9.568 1.472 1.689 1.00 0.00 O ATOM 999 CB SER A 62 -12.555 0.056 1.791 1.00 0.00 C ATOM 1000 OG SER A 62 -12.407 -1.348 1.904 1.00 0.00 O ATOM 0 H SER A 62 -12.499 -0.753 -0.549 1.00 0.00 H new ATOM 0 HA SER A 62 -11.814 1.693 0.617 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.365 0.523 2.757 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.583 0.295 1.518 1.00 0.00 H new ATOM 0 HG SER A 62 -11.853 -1.557 2.685 1.00 0.00 H new ATOM 1006 N THR A 63 -9.570 -0.686 1.061 1.00 0.00 N ATOM 1007 CA THR A 63 -8.196 -0.928 1.492 1.00 0.00 C ATOM 1008 C THR A 63 -7.271 -0.001 0.743 1.00 0.00 C ATOM 1009 O THR A 63 -6.509 0.738 1.349 1.00 0.00 O ATOM 1010 CB THR A 63 -7.754 -2.389 1.254 1.00 0.00 C ATOM 1011 OG1 THR A 63 -8.829 -3.281 1.578 1.00 0.00 O ATOM 1012 CG2 THR A 63 -6.538 -2.736 2.100 1.00 0.00 C ATOM 0 H THR A 63 -10.028 -1.494 0.638 1.00 0.00 H new ATOM 0 HA THR A 63 -8.149 -0.740 2.565 1.00 0.00 H new ATOM 0 HB THR A 63 -7.488 -2.496 0.202 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.696 -4.135 1.116 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.248 -3.770 1.913 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.712 -2.074 1.839 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.782 -2.613 3.155 1.00 0.00 H new ATOM 1020 N LEU A 64 -7.404 0.000 -0.575 1.00 0.00 N ATOM 1021 CA LEU A 64 -6.553 0.802 -1.445 1.00 0.00 C ATOM 1022 C LEU A 64 -6.635 2.278 -1.075 1.00 0.00 C ATOM 1023 O LEU A 64 -5.646 3.007 -1.149 1.00 0.00 O ATOM 1024 CB LEU A 64 -6.984 0.589 -2.900 1.00 0.00 C ATOM 1025 CG LEU A 64 -7.106 -0.868 -3.310 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -8.320 -1.044 -4.170 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -5.884 -1.315 -4.071 1.00 0.00 C ATOM 0 H LEU A 64 -8.102 -0.553 -1.072 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.517 0.487 -1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.944 1.080 -3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.264 1.079 -3.555 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.196 -1.475 -2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.408 -2.090 -4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.208 -0.748 -3.611 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.228 -0.422 -5.061 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.994 -2.362 -4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.771 -0.706 -4.968 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.001 -1.200 -3.442 1.00 0.00 H new ATOM 1039 N ARG A 65 -7.812 2.706 -0.653 1.00 0.00 N ATOM 1040 CA ARG A 65 -8.021 4.092 -0.272 1.00 0.00 C ATOM 1041 C ARG A 65 -7.554 4.360 1.159 1.00 0.00 C ATOM 1042 O ARG A 65 -7.229 5.499 1.508 1.00 0.00 O ATOM 1043 CB ARG A 65 -9.488 4.472 -0.440 1.00 0.00 C ATOM 1044 CG ARG A 65 -9.961 4.408 -1.884 1.00 0.00 C ATOM 1045 CD ARG A 65 -9.075 5.242 -2.794 1.00 0.00 C ATOM 1046 NE ARG A 65 -9.757 5.616 -4.030 1.00 0.00 N ATOM 1047 CZ ARG A 65 -9.437 6.683 -4.760 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -8.455 7.496 -4.378 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -10.103 6.938 -5.876 1.00 0.00 N ATOM 0 H ARG A 65 -8.638 2.114 -0.565 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.419 4.714 -0.934 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.101 3.805 0.166 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.641 5.481 -0.058 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.961 3.372 -2.223 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.989 4.764 -1.948 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.760 6.143 -2.267 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.172 4.681 -3.034 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.523 5.025 -4.353 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -7.940 7.305 -3.519 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.218 8.311 -4.944 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.857 6.319 -6.173 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.862 7.754 -6.439 1.00 0.00 H new ATOM 1063 N GLU A 66 -7.509 3.318 1.983 1.00 0.00 N ATOM 1064 CA GLU A 66 -6.976 3.441 3.330 1.00 0.00 C ATOM 1065 C GLU A 66 -5.463 3.531 3.244 1.00 0.00 C ATOM 1066 O GLU A 66 -4.834 4.361 3.902 1.00 0.00 O ATOM 1067 CB GLU A 66 -7.378 2.228 4.167 1.00 0.00 C ATOM 1068 CG GLU A 66 -8.852 2.177 4.534 1.00 0.00 C ATOM 1069 CD GLU A 66 -9.289 3.356 5.368 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -8.999 3.366 6.582 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -9.926 4.278 4.824 1.00 0.00 O ATOM 0 H GLU A 66 -7.835 2.382 1.740 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.377 4.336 3.806 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.122 1.322 3.618 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.788 2.223 5.083 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.448 2.143 3.622 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.054 1.256 5.081 1.00 0.00 H new ATOM 1078 N LEU A 67 -4.901 2.669 2.400 1.00 0.00 N ATOM 1079 CA LEU A 67 -3.475 2.661 2.119 1.00 0.00 C ATOM 1080 C LEU A 67 -3.024 4.058 1.688 1.00 0.00 C ATOM 1081 O LEU A 67 -1.981 4.560 2.110 1.00 0.00 O ATOM 1082 CB LEU A 67 -3.194 1.670 0.989 1.00 0.00 C ATOM 1083 CG LEU A 67 -3.817 0.304 1.180 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -3.442 -0.621 0.044 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -3.417 -0.270 2.524 1.00 0.00 C ATOM 0 H LEU A 67 -5.426 1.957 1.893 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.930 2.368 3.016 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.558 2.093 0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.115 1.552 0.887 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.902 0.407 1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.901 -1.597 0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.796 -0.202 -0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.358 -0.732 0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.871 -1.253 2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.332 -0.363 2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.759 0.392 3.319 1.00 0.00 H new ATOM 1097 N GLU A 68 -3.853 4.674 0.844 1.00 0.00 N ATOM 1098 CA GLU A 68 -3.568 5.971 0.249 1.00 0.00 C ATOM 1099 C GLU A 68 -3.500 7.094 1.285 1.00 0.00 C ATOM 1100 O GLU A 68 -2.455 7.727 1.448 1.00 0.00 O ATOM 1101 CB GLU A 68 -4.638 6.300 -0.782 1.00 0.00 C ATOM 1102 CG GLU A 68 -4.414 7.629 -1.462 1.00 0.00 C ATOM 1103 CD GLU A 68 -5.404 7.901 -2.570 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -4.978 8.103 -3.722 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -6.625 7.921 -2.289 1.00 0.00 O ATOM 0 H GLU A 68 -4.748 4.279 0.555 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.587 5.903 -0.221 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.663 5.513 -1.535 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.613 6.307 -0.296 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.479 8.425 -0.721 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.404 7.656 -1.871 1.00 0.00 H new ATOM 1112 N ARG A 69 -4.621 7.337 1.978 1.00 0.00 N ATOM 1113 CA ARG A 69 -4.698 8.378 3.020 1.00 0.00 C ATOM 1114 C ARG A 69 -3.595 8.185 4.032 1.00 0.00 C ATOM 1115 O ARG A 69 -3.126 9.134 4.660 1.00 0.00 O ATOM 1116 CB ARG A 69 -6.050 8.307 3.720 1.00 0.00 C ATOM 1117 CG ARG A 69 -6.188 9.310 4.843 1.00 0.00 C ATOM 1118 CD ARG A 69 -7.153 8.819 5.903 1.00 0.00 C ATOM 1119 NE ARG A 69 -6.787 7.500 6.413 1.00 0.00 N ATOM 1120 CZ ARG A 69 -7.572 6.428 6.330 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -8.754 6.508 5.724 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -7.173 5.274 6.844 1.00 0.00 N ATOM 0 H ARG A 69 -5.492 6.826 1.837 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.583 9.355 2.550 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.841 8.477 2.989 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.195 7.303 4.118 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.212 9.492 5.293 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.537 10.262 4.443 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.178 9.532 6.727 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.159 8.779 5.486 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.876 7.394 6.859 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.062 7.393 5.321 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.352 5.684 5.663 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.265 5.207 7.303 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.774 4.452 6.781 1.00 0.00 H new ATOM 1136 N TYR A 70 -3.155 6.958 4.148 1.00 0.00 N ATOM 1137 CA TYR A 70 -2.136 6.626 5.104 1.00 0.00 C ATOM 1138 C TYR A 70 -0.765 7.107 4.630 1.00 0.00 C ATOM 1139 O TYR A 70 -0.109 7.890 5.309 1.00 0.00 O ATOM 1140 CB TYR A 70 -2.101 5.124 5.353 1.00 0.00 C ATOM 1141 CG TYR A 70 -0.785 4.693 5.883 1.00 0.00 C ATOM 1142 CD1 TYR A 70 0.016 3.875 5.133 1.00 0.00 C ATOM 1143 CD2 TYR A 70 -0.317 5.163 7.102 1.00 0.00 C ATOM 1144 CE1 TYR A 70 1.252 3.524 5.568 1.00 0.00 C ATOM 1145 CE2 TYR A 70 0.926 4.808 7.558 1.00 0.00 C ATOM 1146 CZ TYR A 70 1.714 3.990 6.787 1.00 0.00 C ATOM 1147 OH TYR A 70 2.963 3.649 7.234 1.00 0.00 O ATOM 0 H TYR A 70 -3.489 6.172 3.590 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.378 7.133 6.038 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -2.886 4.853 6.059 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -2.311 4.595 4.424 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.340 3.504 4.183 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.939 5.815 7.698 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.875 2.881 4.964 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.281 5.168 8.512 1.00 0.00 H new ATOM 0 HH TYR A 70 3.274 2.850 6.759 1.00 0.00 H new ATOM 1157 N VAL A 71 -0.320 6.631 3.477 1.00 0.00 N ATOM 1158 CA VAL A 71 1.004 6.988 2.989 1.00 0.00 C ATOM 1159 C VAL A 71 1.067 8.452 2.676 1.00 0.00 C ATOM 1160 O VAL A 71 2.058 9.106 2.948 1.00 0.00 O ATOM 1161 CB VAL A 71 1.403 6.199 1.746 1.00 0.00 C ATOM 1162 CG1 VAL A 71 1.384 4.732 2.061 1.00 0.00 C ATOM 1163 CG2 VAL A 71 0.476 6.478 0.581 1.00 0.00 C ATOM 0 H VAL A 71 -0.848 6.005 2.869 1.00 0.00 H new ATOM 0 HA VAL A 71 1.705 6.740 3.786 1.00 0.00 H new ATOM 0 HB VAL A 71 2.406 6.512 1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.669 4.166 1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.088 4.524 2.866 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.381 4.440 2.372 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.794 5.897 -0.285 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.542 6.198 0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.508 7.540 0.337 1.00 0.00 H new ATOM 1173 N THR A 72 -0.010 8.961 2.130 1.00 0.00 N ATOM 1174 CA THR A 72 -0.121 10.360 1.846 1.00 0.00 C ATOM 1175 C THR A 72 0.070 11.169 3.134 1.00 0.00 C ATOM 1176 O THR A 72 0.623 12.258 3.112 1.00 0.00 O ATOM 1177 CB THR A 72 -1.479 10.638 1.171 1.00 0.00 C ATOM 1178 OG1 THR A 72 -1.305 10.755 -0.246 1.00 0.00 O ATOM 1179 CG2 THR A 72 -2.159 11.879 1.723 1.00 0.00 C ATOM 0 H THR A 72 -0.831 8.413 1.872 1.00 0.00 H new ATOM 0 HA THR A 72 0.661 10.670 1.153 1.00 0.00 H new ATOM 0 HB THR A 72 -2.131 9.793 1.392 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.172 10.930 -0.669 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.111 12.029 1.214 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.335 11.753 2.791 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.520 12.747 1.561 1.00 0.00 H new ATOM 1187 N SER A 73 -0.319 10.593 4.266 1.00 0.00 N ATOM 1188 CA SER A 73 -0.155 11.264 5.544 1.00 0.00 C ATOM 1189 C SER A 73 1.317 11.240 5.970 1.00 0.00 C ATOM 1190 O SER A 73 1.800 12.149 6.642 1.00 0.00 O ATOM 1191 CB SER A 73 -1.037 10.599 6.606 1.00 0.00 C ATOM 1192 OG SER A 73 -0.370 9.528 7.248 1.00 0.00 O ATOM 0 H SER A 73 -0.747 9.669 4.322 1.00 0.00 H new ATOM 0 HA SER A 73 -0.465 12.304 5.440 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.333 11.340 7.348 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.951 10.231 6.141 1.00 0.00 H new ATOM 0 HG SER A 73 -0.205 8.811 6.601 1.00 0.00 H new ATOM 1198 N CYS A 74 2.025 10.194 5.548 1.00 0.00 N ATOM 1199 CA CYS A 74 3.432 10.007 5.892 1.00 0.00 C ATOM 1200 C CYS A 74 4.335 10.769 4.927 1.00 0.00 C ATOM 1201 O CYS A 74 5.372 11.315 5.311 1.00 0.00 O ATOM 1202 CB CYS A 74 3.758 8.515 5.851 1.00 0.00 C ATOM 1203 SG CYS A 74 5.440 8.092 6.357 1.00 0.00 S ATOM 0 H CYS A 74 1.640 9.455 4.960 1.00 0.00 H new ATOM 0 HA CYS A 74 3.609 10.398 6.894 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.056 7.986 6.496 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.596 8.150 4.837 1.00 0.00 H new ATOM 0 HG CYS A 74 6.214 9.124 6.195 1.00 0.00 H new ATOM 1209 N LEU A 75 3.933 10.776 3.674 1.00 0.00 N ATOM 1210 CA LEU A 75 4.681 11.435 2.609 1.00 0.00 C ATOM 1211 C LEU A 75 4.443 12.946 2.594 1.00 0.00 C ATOM 1212 O LEU A 75 5.395 13.720 2.480 1.00 0.00 O ATOM 1213 CB LEU A 75 4.298 10.809 1.267 1.00 0.00 C ATOM 1214 CG LEU A 75 4.384 9.285 1.250 1.00 0.00 C ATOM 1215 CD1 LEU A 75 3.771 8.725 -0.024 1.00 0.00 C ATOM 1216 CD2 LEU A 75 5.824 8.821 1.407 1.00 0.00 C ATOM 0 H LEU A 75 3.075 10.324 3.357 1.00 0.00 H new ATOM 0 HA LEU A 75 5.746 11.288 2.791 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.281 11.109 1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.951 11.209 0.491 1.00 0.00 H new ATOM 0 HG LEU A 75 3.813 8.904 2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.843 7.637 -0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.723 9.019 -0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.307 9.117 -0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.859 7.732 1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.425 9.215 0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.222 9.184 2.355 1.00 0.00 H new ATOM 1228 N ARG A 76 3.182 13.372 2.697 1.00 0.00 N ATOM 1229 CA ARG A 76 2.872 14.795 2.740 1.00 0.00 C ATOM 1230 C ARG A 76 3.395 15.411 4.029 1.00 0.00 C ATOM 1231 O ARG A 76 4.015 16.475 4.017 1.00 0.00 O ATOM 1232 CB ARG A 76 1.369 15.066 2.622 1.00 0.00 C ATOM 1233 CG ARG A 76 0.749 14.602 1.316 1.00 0.00 C ATOM 1234 CD ARG A 76 -0.657 15.152 1.145 1.00 0.00 C ATOM 1235 NE ARG A 76 -0.679 16.614 1.126 1.00 0.00 N ATOM 1236 CZ ARG A 76 -1.657 17.336 0.585 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -2.683 16.735 -0.006 1.00 0.00 N ATOM 1238 NH2 ARG A 76 -1.603 18.662 0.628 1.00 0.00 N ATOM 0 H ARG A 76 2.370 12.757 2.751 1.00 0.00 H new ATOM 0 HA ARG A 76 3.364 15.253 1.882 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.857 14.573 3.448 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.195 16.136 2.733 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.371 14.924 0.481 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.721 13.513 1.291 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.084 14.772 0.217 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.288 14.791 1.957 1.00 0.00 H new ATOM 0 HE ARG A 76 0.103 17.110 1.553 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.723 15.717 -0.046 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.431 17.292 -0.420 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.812 19.126 1.075 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.352 19.217 0.214 1.00 0.00 H new ATOM 1409 N TRP B 202 2.742 -4.976 -8.500 1.00 0.00 N ATOM 1410 CA TRP B 202 3.395 -4.627 -7.250 1.00 0.00 C ATOM 1411 C TRP B 202 3.815 -5.899 -6.523 1.00 0.00 C ATOM 1412 O TRP B 202 3.426 -6.156 -5.387 1.00 0.00 O ATOM 1413 CB TRP B 202 2.410 -3.815 -6.416 1.00 0.00 C ATOM 1414 CG TRP B 202 2.992 -3.144 -5.219 1.00 0.00 C ATOM 1415 CD1 TRP B 202 4.257 -2.663 -5.062 1.00 0.00 C ATOM 1416 CD2 TRP B 202 2.292 -2.848 -4.017 1.00 0.00 C ATOM 1417 NE1 TRP B 202 4.386 -2.084 -3.822 1.00 0.00 N ATOM 1418 CE2 TRP B 202 3.189 -2.186 -3.163 1.00 0.00 C ATOM 1419 CE3 TRP B 202 0.985 -3.083 -3.585 1.00 0.00 C ATOM 1420 CZ2 TRP B 202 2.818 -1.752 -1.894 1.00 0.00 C ATOM 1421 CZ3 TRP B 202 0.622 -2.649 -2.324 1.00 0.00 C ATOM 1422 CH2 TRP B 202 1.531 -1.991 -1.495 1.00 0.00 C ATOM 0 HA TRP B 202 4.292 -4.034 -7.429 1.00 0.00 H new ATOM 0 HB2 TRP B 202 1.958 -3.056 -7.054 1.00 0.00 H new ATOM 0 HB3 TRP B 202 1.607 -4.475 -6.088 1.00 0.00 H new ATOM 0 HD1 TRP B 202 5.041 -2.727 -5.802 1.00 0.00 H new ATOM 0 HE1 TRP B 202 5.232 -1.650 -3.454 1.00 0.00 H new ATOM 0 HE3 TRP B 202 0.275 -3.591 -4.221 1.00 0.00 H new ATOM 0 HZ2 TRP B 202 3.520 -1.245 -1.248 1.00 0.00 H new ATOM 0 HZ3 TRP B 202 -0.385 -2.823 -1.974 1.00 0.00 H new ATOM 0 HH2 TRP B 202 1.212 -1.663 -0.517 1.00 0.00 H new ATOM 1433 N THR B 203 4.603 -6.697 -7.208 1.00 0.00 N ATOM 1434 CA THR B 203 4.955 -8.018 -6.740 1.00 0.00 C ATOM 1435 C THR B 203 6.371 -8.069 -6.160 1.00 0.00 C ATOM 1436 O THR B 203 6.966 -7.026 -5.872 1.00 0.00 O ATOM 1437 CB THR B 203 4.798 -9.032 -7.883 1.00 0.00 C ATOM 1438 OG1 THR B 203 5.245 -8.453 -9.115 1.00 0.00 O ATOM 1439 CG2 THR B 203 3.349 -9.465 -8.022 1.00 0.00 C ATOM 0 H THR B 203 5.018 -6.448 -8.106 1.00 0.00 H new ATOM 0 HA THR B 203 4.274 -8.278 -5.929 1.00 0.00 H new ATOM 0 HB THR B 203 5.405 -9.907 -7.650 1.00 0.00 H new ATOM 0 HG1 THR B 203 5.144 -9.106 -9.839 1.00 0.00 H new ATOM 0 HG21 THR B 203 3.260 -10.183 -8.837 1.00 0.00 H new ATOM 0 HG22 THR B 203 3.017 -9.928 -7.093 1.00 0.00 H new ATOM 0 HG23 THR B 203 2.728 -8.595 -8.236 1.00 0.00 H new ATOM 1447 N LEU B 204 6.863 -9.301 -5.974 1.00 0.00 N ATOM 1448 CA LEU B 204 8.171 -9.608 -5.378 1.00 0.00 C ATOM 1449 C LEU B 204 9.214 -8.513 -5.582 1.00 0.00 C ATOM 1450 O LEU B 204 9.694 -7.930 -4.609 1.00 0.00 O ATOM 1451 CB LEU B 204 8.691 -10.920 -5.976 1.00 0.00 C ATOM 1452 CG LEU B 204 10.113 -11.323 -5.580 1.00 0.00 C ATOM 1453 CD1 LEU B 204 10.173 -11.723 -4.116 1.00 0.00 C ATOM 1454 CD2 LEU B 204 10.609 -12.453 -6.467 1.00 0.00 C ATOM 0 H LEU B 204 6.346 -10.138 -6.242 1.00 0.00 H new ATOM 0 HA LEU B 204 8.017 -9.690 -4.302 1.00 0.00 H new ATOM 0 HB2 LEU B 204 8.013 -11.722 -5.685 1.00 0.00 H new ATOM 0 HB3 LEU B 204 8.646 -10.844 -7.062 1.00 0.00 H new ATOM 0 HG LEU B 204 10.766 -10.462 -5.721 1.00 0.00 H new ATOM 0 HD11 LEU B 204 11.194 -12.005 -3.858 1.00 0.00 H new ATOM 0 HD12 LEU B 204 9.861 -10.882 -3.496 1.00 0.00 H new ATOM 0 HD13 LEU B 204 9.507 -12.569 -3.942 1.00 0.00 H new ATOM 0 HD21 LEU B 204 11.622 -12.729 -6.173 1.00 0.00 H new ATOM 0 HD22 LEU B 204 9.952 -13.316 -6.358 1.00 0.00 H new ATOM 0 HD23 LEU B 204 10.609 -12.126 -7.507 1.00 0.00 H new ATOM 1466 N GLU B 205 9.558 -8.239 -6.834 1.00 0.00 N ATOM 1467 CA GLU B 205 10.618 -7.289 -7.139 1.00 0.00 C ATOM 1468 C GLU B 205 10.316 -5.922 -6.530 1.00 0.00 C ATOM 1469 O GLU B 205 11.029 -5.467 -5.642 1.00 0.00 O ATOM 1470 CB GLU B 205 10.815 -7.172 -8.652 1.00 0.00 C ATOM 1471 CG GLU B 205 12.081 -6.434 -9.053 1.00 0.00 C ATOM 1472 CD GLU B 205 12.302 -6.442 -10.551 1.00 0.00 C ATOM 1473 OE1 GLU B 205 12.178 -5.374 -11.186 1.00 0.00 O ATOM 1474 OE2 GLU B 205 12.597 -7.520 -11.105 1.00 0.00 O ATOM 0 H GLU B 205 9.119 -8.661 -7.652 1.00 0.00 H new ATOM 0 HA GLU B 205 11.543 -7.660 -6.698 1.00 0.00 H new ATOM 0 HB2 GLU B 205 10.837 -8.172 -9.084 1.00 0.00 H new ATOM 0 HB3 GLU B 205 9.955 -6.658 -9.082 1.00 0.00 H new ATOM 0 HG2 GLU B 205 12.025 -5.404 -8.702 1.00 0.00 H new ATOM 0 HG3 GLU B 205 12.938 -6.893 -8.559 1.00 0.00 H new ATOM 1481 N ARG B 206 9.233 -5.296 -6.973 1.00 0.00 N ATOM 1482 CA ARG B 206 8.898 -3.945 -6.529 1.00 0.00 C ATOM 1483 C ARG B 206 8.788 -3.852 -5.005 1.00 0.00 C ATOM 1484 O ARG B 206 9.591 -3.172 -4.353 1.00 0.00 O ATOM 1485 CB ARG B 206 7.593 -3.459 -7.174 1.00 0.00 C ATOM 1486 CG ARG B 206 7.759 -2.910 -8.586 1.00 0.00 C ATOM 1487 CD ARG B 206 8.112 -4.000 -9.581 1.00 0.00 C ATOM 1488 NE ARG B 206 8.435 -3.464 -10.900 1.00 0.00 N ATOM 1489 CZ ARG B 206 8.947 -4.192 -11.892 1.00 0.00 C ATOM 1490 NH1 ARG B 206 9.136 -5.499 -11.733 1.00 0.00 N ATOM 1491 NH2 ARG B 206 9.255 -3.619 -13.050 1.00 0.00 N ATOM 0 H ARG B 206 8.572 -5.699 -7.637 1.00 0.00 H new ATOM 0 HA ARG B 206 9.716 -3.299 -6.849 1.00 0.00 H new ATOM 0 HB2 ARG B 206 6.884 -4.286 -7.199 1.00 0.00 H new ATOM 0 HB3 ARG B 206 7.157 -2.684 -6.544 1.00 0.00 H new ATOM 0 HG2 ARG B 206 6.835 -2.421 -8.896 1.00 0.00 H new ATOM 0 HG3 ARG B 206 8.539 -2.149 -8.590 1.00 0.00 H new ATOM 0 HD2 ARG B 206 8.961 -4.570 -9.205 1.00 0.00 H new ATOM 0 HD3 ARG B 206 7.276 -4.694 -9.668 1.00 0.00 H new ATOM 0 HE ARG B 206 8.258 -2.474 -11.072 1.00 0.00 H new ATOM 0 HH11 ARG B 206 8.889 -5.946 -10.850 1.00 0.00 H new ATOM 0 HH12 ARG B 206 9.528 -6.054 -12.494 1.00 0.00 H new ATOM 0 HH21 ARG B 206 9.100 -2.620 -13.182 1.00 0.00 H new ATOM 0 HH22 ARG B 206 9.647 -4.178 -13.808 1.00 0.00 H new ATOM 1505 N LEU B 207 7.812 -4.552 -4.437 1.00 0.00 N ATOM 1506 CA LEU B 207 7.509 -4.410 -3.020 1.00 0.00 C ATOM 1507 C LEU B 207 8.583 -5.031 -2.143 1.00 0.00 C ATOM 1508 O LEU B 207 9.239 -4.329 -1.381 1.00 0.00 O ATOM 1509 CB LEU B 207 6.147 -5.025 -2.686 1.00 0.00 C ATOM 1510 CG LEU B 207 5.751 -4.986 -1.200 1.00 0.00 C ATOM 1511 CD1 LEU B 207 5.859 -3.578 -0.634 1.00 0.00 C ATOM 1512 CD2 LEU B 207 4.339 -5.505 -1.034 1.00 0.00 C ATOM 0 H LEU B 207 7.221 -5.219 -4.933 1.00 0.00 H new ATOM 0 HA LEU B 207 7.479 -3.341 -2.811 1.00 0.00 H new ATOM 0 HB2 LEU B 207 5.382 -4.505 -3.262 1.00 0.00 H new ATOM 0 HB3 LEU B 207 6.145 -6.063 -3.018 1.00 0.00 H new ATOM 0 HG LEU B 207 6.442 -5.623 -0.647 1.00 0.00 H new ATOM 0 HD11 LEU B 207 5.572 -3.586 0.418 1.00 0.00 H new ATOM 0 HD12 LEU B 207 6.886 -3.226 -0.727 1.00 0.00 H new ATOM 0 HD13 LEU B 207 5.196 -2.912 -1.186 1.00 0.00 H new ATOM 0 HD21 LEU B 207 4.062 -5.476 0.020 1.00 0.00 H new ATOM 0 HD22 LEU B 207 3.653 -4.882 -1.607 1.00 0.00 H new ATOM 0 HD23 LEU B 207 4.284 -6.532 -1.395 1.00 0.00 H new ATOM 1524 N LYS B 208 8.787 -6.336 -2.274 1.00 0.00 N ATOM 1525 CA LYS B 208 9.602 -7.073 -1.316 1.00 0.00 C ATOM 1526 C LYS B 208 11.058 -6.606 -1.338 1.00 0.00 C ATOM 1527 O LYS B 208 11.759 -6.694 -0.328 1.00 0.00 O ATOM 1528 CB LYS B 208 9.517 -8.581 -1.576 1.00 0.00 C ATOM 1529 CG LYS B 208 10.001 -9.425 -0.403 1.00 0.00 C ATOM 1530 CD LYS B 208 9.876 -10.919 -0.676 1.00 0.00 C ATOM 1531 CE LYS B 208 8.444 -11.317 -1.000 1.00 0.00 C ATOM 1532 NZ LYS B 208 8.260 -12.793 -0.996 1.00 0.00 N ATOM 0 H LYS B 208 8.402 -6.903 -3.029 1.00 0.00 H new ATOM 0 HA LYS B 208 9.203 -6.869 -0.322 1.00 0.00 H new ATOM 0 HB2 LYS B 208 8.484 -8.846 -1.803 1.00 0.00 H new ATOM 0 HB3 LYS B 208 10.109 -8.824 -2.458 1.00 0.00 H new ATOM 0 HG2 LYS B 208 11.042 -9.183 -0.189 1.00 0.00 H new ATOM 0 HG3 LYS B 208 9.425 -9.171 0.487 1.00 0.00 H new ATOM 0 HD2 LYS B 208 10.526 -11.192 -1.507 1.00 0.00 H new ATOM 0 HD3 LYS B 208 10.220 -11.477 0.194 1.00 0.00 H new ATOM 0 HE2 LYS B 208 7.769 -10.866 -0.273 1.00 0.00 H new ATOM 0 HE3 LYS B 208 8.170 -10.920 -1.978 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 7.780 -13.085 -1.871 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 9.188 -13.258 -0.938 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 7.682 -13.069 -0.176 1.00 0.00 H new ATOM 1546 N ARG B 209 11.516 -6.091 -2.474 1.00 0.00 N ATOM 1547 CA ARG B 209 12.892 -5.622 -2.575 1.00 0.00 C ATOM 1548 C ARG B 209 13.051 -4.249 -1.926 1.00 0.00 C ATOM 1549 O ARG B 209 14.030 -4.012 -1.214 1.00 0.00 O ATOM 1550 CB ARG B 209 13.356 -5.584 -4.029 1.00 0.00 C ATOM 1551 CG ARG B 209 13.830 -6.929 -4.577 1.00 0.00 C ATOM 1552 CD ARG B 209 12.861 -8.075 -4.291 1.00 0.00 C ATOM 1553 NE ARG B 209 13.236 -9.282 -5.026 1.00 0.00 N ATOM 1554 CZ ARG B 209 13.590 -10.436 -4.461 1.00 0.00 C ATOM 1555 NH1 ARG B 209 13.582 -10.577 -3.140 1.00 0.00 N ATOM 1556 NH2 ARG B 209 13.949 -11.459 -5.228 1.00 0.00 N ATOM 0 H ARG B 209 10.964 -5.989 -3.326 1.00 0.00 H new ATOM 0 HA ARG B 209 13.522 -6.330 -2.037 1.00 0.00 H new ATOM 0 HB2 ARG B 209 12.537 -5.221 -4.650 1.00 0.00 H new ATOM 0 HB3 ARG B 209 14.168 -4.862 -4.120 1.00 0.00 H new ATOM 0 HG2 ARG B 209 13.973 -6.844 -5.654 1.00 0.00 H new ATOM 0 HG3 ARG B 209 14.801 -7.168 -4.144 1.00 0.00 H new ATOM 0 HD2 ARG B 209 12.849 -8.286 -3.222 1.00 0.00 H new ATOM 0 HD3 ARG B 209 11.850 -7.777 -4.568 1.00 0.00 H new ATOM 0 HE ARG B 209 13.226 -9.238 -6.045 1.00 0.00 H new ATOM 0 HH11 ARG B 209 13.303 -9.797 -2.546 1.00 0.00 H new ATOM 0 HH12 ARG B 209 13.855 -11.466 -2.720 1.00 0.00 H new ATOM 0 HH21 ARG B 209 13.953 -11.359 -6.243 1.00 0.00 H new ATOM 0 HH22 ARG B 209 14.221 -12.345 -4.802 1.00 0.00 H new ATOM 1570 N LYS B 210 12.092 -3.348 -2.150 1.00 0.00 N ATOM 1571 CA LYS B 210 12.142 -2.030 -1.513 1.00 0.00 C ATOM 1572 C LYS B 210 11.820 -2.155 -0.024 1.00 0.00 C ATOM 1573 O LYS B 210 12.348 -1.415 0.809 1.00 0.00 O ATOM 1574 CB LYS B 210 11.162 -1.053 -2.173 1.00 0.00 C ATOM 1575 CG LYS B 210 11.317 0.380 -1.676 1.00 0.00 C ATOM 1576 CD LYS B 210 12.570 1.033 -2.242 1.00 0.00 C ATOM 1577 CE LYS B 210 12.854 2.383 -1.599 1.00 0.00 C ATOM 1578 NZ LYS B 210 11.740 3.354 -1.786 1.00 0.00 N ATOM 0 H LYS B 210 11.286 -3.502 -2.756 1.00 0.00 H new ATOM 0 HA LYS B 210 13.151 -1.637 -1.637 1.00 0.00 H new ATOM 0 HB2 LYS B 210 11.310 -1.074 -3.253 1.00 0.00 H new ATOM 0 HB3 LYS B 210 10.142 -1.388 -1.984 1.00 0.00 H new ATOM 0 HG2 LYS B 210 10.441 0.962 -1.962 1.00 0.00 H new ATOM 0 HG3 LYS B 210 11.362 0.386 -0.587 1.00 0.00 H new ATOM 0 HD2 LYS B 210 13.423 0.372 -2.088 1.00 0.00 H new ATOM 0 HD3 LYS B 210 12.456 1.162 -3.318 1.00 0.00 H new ATOM 0 HE2 LYS B 210 13.033 2.243 -0.533 1.00 0.00 H new ATOM 0 HE3 LYS B 210 13.768 2.798 -2.024 1.00 0.00 H new ATOM 0 HZ1 LYS B 210 12.049 4.299 -1.482 1.00 0.00 H new ATOM 0 HZ2 LYS B 210 11.471 3.384 -2.790 1.00 0.00 H new ATOM 0 HZ3 LYS B 210 10.922 3.057 -1.217 1.00 0.00 H new ATOM 1592 N TYR B 211 10.952 -3.106 0.290 1.00 0.00 N ATOM 1593 CA TYR B 211 10.545 -3.382 1.662 1.00 0.00 C ATOM 1594 C TYR B 211 11.734 -3.906 2.465 1.00 0.00 C ATOM 1595 O TYR B 211 11.862 -3.637 3.663 1.00 0.00 O ATOM 1596 CB TYR B 211 9.409 -4.417 1.641 1.00 0.00 C ATOM 1597 CG TYR B 211 8.650 -4.588 2.941 1.00 0.00 C ATOM 1598 CD1 TYR B 211 7.349 -4.124 3.057 1.00 0.00 C ATOM 1599 CD2 TYR B 211 9.218 -5.223 4.037 1.00 0.00 C ATOM 1600 CE1 TYR B 211 6.636 -4.281 4.229 1.00 0.00 C ATOM 1601 CE2 TYR B 211 8.511 -5.383 5.216 1.00 0.00 C ATOM 1602 CZ TYR B 211 7.219 -4.910 5.305 1.00 0.00 C ATOM 1603 OH TYR B 211 6.509 -5.067 6.475 1.00 0.00 O ATOM 0 H TYR B 211 10.508 -3.710 -0.401 1.00 0.00 H new ATOM 0 HA TYR B 211 10.192 -2.467 2.137 1.00 0.00 H new ATOM 0 HB2 TYR B 211 8.700 -4.135 0.862 1.00 0.00 H new ATOM 0 HB3 TYR B 211 9.827 -5.382 1.357 1.00 0.00 H new ATOM 0 HD1 TYR B 211 6.885 -3.631 2.216 1.00 0.00 H new ATOM 0 HD2 TYR B 211 10.228 -5.598 3.969 1.00 0.00 H new ATOM 0 HE1 TYR B 211 5.624 -3.911 4.301 1.00 0.00 H new ATOM 0 HE2 TYR B 211 8.969 -5.875 6.061 1.00 0.00 H new ATOM 0 HH TYR B 211 6.217 -5.999 6.558 1.00 0.00 H new