USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 717 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 52 GLN : amide:sc= -1.72! X(o=-0.12!,f=0.12) USER MOD Set 1.2: A 96 GLN : amide:sc= 1.04 K(o=-0.12,f=-1) USER MOD Set 1.3: A 106 SER OG : rot 122:sc= 0.569 USER MOD Set 2.1: A 90 GLN : amide:sc= -0.605 X(o=-1.8,f=-2) USER MOD Set 2.2: A 113 THR OG1 : rot 98:sc= -1.16 USER MOD Set 3.1: A 28 THR OG1 : rot -92:sc= -2.29! USER MOD Set 3.2: A 31 SER OG : rot 180:sc= 0.854 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc=-0.00932 X(o=-0.0093,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc=-0.00126 X(o=-0.0013,f=-0.1) USER MOD Single : A 33 GLN : amide:sc= -0.862 X(o=-0.86,f=-0.48) USER MOD Single : A 35 THR OG1 : rot 160:sc= -1.09 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.113) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.296 X(o=-0.3,f=0) USER MOD Single : A 45 ASN : amide:sc= 0.92 K(o=0.92,f=-2.7!) USER MOD Single : A 51 TYR OH : rot 87:sc= -1.41 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot -165:sc= 0.0469 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -156:sc= -2.29! (180deg=-3.23!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -66:sc= 0.44 USER MOD Single : A 77 SER OG : rot 27:sc= 0.0143 USER MOD Single : A 80 TYR OH : rot 180:sc= -0.579 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.303 K(o=-0.3,f=-2.5!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 31:sc= -0.476 USER MOD Single : A 99 ASN : amide:sc= -3.06! C(o=-3.1!,f=-9.9!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 70:sc= -0.575 USER MOD Single : A 108 SER OG : rot -73:sc= 0.134 USER MOD Single : A 111 ASN : amide:sc= -1.11 K(o=-1.1,f=-2.2) USER MOD Single : A 114 THR OG1 : rot -129:sc= -1.52 USER MOD ----------------------------------------------------------------- ATOM 150 N ALA A 14 11.970 11.999 -3.300 1.00 0.00 N ATOM 151 CA ALA A 14 10.812 11.121 -3.303 1.00 0.00 C ATOM 152 C ALA A 14 10.957 10.096 -4.430 1.00 0.00 C ATOM 153 O ALA A 14 11.661 10.340 -5.409 1.00 0.00 O ATOM 154 CB ALA A 14 9.538 11.957 -3.436 1.00 0.00 C ATOM 0 HA ALA A 14 10.745 10.571 -2.364 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.669 11.299 -3.438 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.467 12.648 -2.596 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.568 12.521 -4.368 1.00 0.00 H new ATOM 160 N PRO A 15 10.262 8.941 -4.250 1.00 0.00 N ATOM 161 CA PRO A 15 10.306 7.879 -5.239 1.00 0.00 C ATOM 162 C PRO A 15 9.463 8.235 -6.465 1.00 0.00 C ATOM 163 O PRO A 15 8.315 8.658 -6.332 1.00 0.00 O ATOM 164 CB PRO A 15 9.804 6.642 -4.512 1.00 0.00 C ATOM 165 CG PRO A 15 9.061 7.152 -3.288 1.00 0.00 C ATOM 166 CD PRO A 15 9.418 8.618 -3.103 1.00 0.00 C ATOM 0 HA PRO A 15 11.309 7.714 -5.633 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.146 6.053 -5.151 1.00 0.00 H new ATOM 0 HB3 PRO A 15 10.632 5.995 -4.225 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.985 7.035 -3.418 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.340 6.577 -2.405 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.525 9.243 -3.080 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.946 8.782 -2.164 1.00 0.00 H new ATOM 174 N ASP A 16 10.064 8.052 -7.631 1.00 0.00 N ATOM 175 CA ASP A 16 9.383 8.349 -8.880 1.00 0.00 C ATOM 176 C ASP A 16 8.930 7.041 -9.533 1.00 0.00 C ATOM 177 O ASP A 16 9.282 6.760 -10.677 1.00 0.00 O ATOM 178 CB ASP A 16 10.314 9.068 -9.858 1.00 0.00 C ATOM 179 CG ASP A 16 10.467 10.571 -9.619 1.00 0.00 C ATOM 180 OD1 ASP A 16 9.628 11.115 -8.869 1.00 0.00 O ATOM 181 OD2 ASP A 16 11.420 11.143 -10.192 1.00 0.00 O ATOM 0 H ASP A 16 11.016 7.701 -7.738 1.00 0.00 H new ATOM 0 HA ASP A 16 8.531 8.991 -8.655 1.00 0.00 H new ATOM 0 HB2 ASP A 16 11.299 8.605 -9.805 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.942 8.912 -10.871 1.00 0.00 H new ATOM 186 N GLY A 17 8.157 6.276 -8.776 1.00 0.00 N ATOM 187 CA GLY A 17 7.653 5.005 -9.267 1.00 0.00 C ATOM 188 C GLY A 17 7.035 4.185 -8.132 1.00 0.00 C ATOM 189 O GLY A 17 7.582 4.132 -7.031 1.00 0.00 O ATOM 0 H GLY A 17 7.868 6.512 -7.827 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.907 5.180 -10.042 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.464 4.441 -9.728 1.00 0.00 H new ATOM 193 N PRO A 18 5.875 3.550 -8.447 1.00 0.00 N ATOM 194 CA PRO A 18 5.177 2.735 -7.467 1.00 0.00 C ATOM 195 C PRO A 18 5.892 1.399 -7.256 1.00 0.00 C ATOM 196 O PRO A 18 6.842 1.079 -7.969 1.00 0.00 O ATOM 197 CB PRO A 18 3.770 2.575 -8.018 1.00 0.00 C ATOM 198 CG PRO A 18 3.861 2.909 -9.498 1.00 0.00 C ATOM 199 CD PRO A 18 5.199 3.589 -9.740 1.00 0.00 C ATOM 0 HA PRO A 18 5.153 3.194 -6.479 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.405 1.559 -7.869 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.073 3.241 -7.509 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.778 2.004 -10.100 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.041 3.564 -9.793 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.776 3.067 -10.504 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.065 4.614 -10.086 1.00 0.00 H new ATOM 207 N PRO A 19 5.396 0.635 -6.246 1.00 0.00 N ATOM 208 CA PRO A 19 5.977 -0.660 -5.932 1.00 0.00 C ATOM 209 C PRO A 19 5.574 -1.708 -6.971 1.00 0.00 C ATOM 210 O PRO A 19 4.592 -1.529 -7.690 1.00 0.00 O ATOM 211 CB PRO A 19 5.478 -0.986 -4.534 1.00 0.00 C ATOM 212 CG PRO A 19 4.272 -0.091 -4.302 1.00 0.00 C ATOM 213 CD PRO A 19 4.273 0.981 -5.380 1.00 0.00 C ATOM 0 HA PRO A 19 7.067 -0.650 -5.959 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.205 -2.038 -4.452 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.252 -0.799 -3.790 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.351 -0.673 -4.343 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.318 0.363 -3.312 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.334 0.987 -5.933 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.396 1.975 -4.950 1.00 0.00 H new ATOM 221 N MET A 20 6.352 -2.780 -7.016 1.00 0.00 N ATOM 222 CA MET A 20 6.088 -3.857 -7.955 1.00 0.00 C ATOM 223 C MET A 20 5.510 -5.079 -7.238 1.00 0.00 C ATOM 224 O MET A 20 5.348 -5.069 -6.019 1.00 0.00 O ATOM 225 CB MET A 20 7.387 -4.247 -8.662 1.00 0.00 C ATOM 226 CG MET A 20 8.048 -3.027 -9.307 1.00 0.00 C ATOM 227 SD MET A 20 9.413 -3.544 -10.335 1.00 0.00 S ATOM 228 CE MET A 20 8.540 -3.902 -11.851 1.00 0.00 C ATOM 0 H MET A 20 7.165 -2.926 -6.417 1.00 0.00 H new ATOM 0 HA MET A 20 5.358 -3.508 -8.685 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.073 -4.701 -7.946 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.179 -4.998 -9.424 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.318 -2.481 -9.905 1.00 0.00 H new ATOM 0 HG3 MET A 20 8.402 -2.344 -8.535 1.00 0.00 H new ATOM 0 HE1 MET A 20 9.248 -4.241 -12.607 1.00 0.00 H new ATOM 0 HE2 MET A 20 7.801 -4.683 -11.670 1.00 0.00 H new ATOM 0 HE3 MET A 20 8.037 -3.001 -12.203 1.00 0.00 H new ATOM 238 N ASP A 21 5.213 -6.102 -8.027 1.00 0.00 N ATOM 239 CA ASP A 21 4.656 -7.329 -7.483 1.00 0.00 C ATOM 240 C ASP A 21 3.442 -6.992 -6.615 1.00 0.00 C ATOM 241 O ASP A 21 3.156 -7.689 -5.643 1.00 0.00 O ATOM 242 CB ASP A 21 5.677 -8.056 -6.605 1.00 0.00 C ATOM 243 CG ASP A 21 5.438 -9.558 -6.444 1.00 0.00 C ATOM 244 OD1 ASP A 21 4.963 -10.166 -7.427 1.00 0.00 O ATOM 245 OD2 ASP A 21 5.735 -10.065 -5.340 1.00 0.00 O ATOM 0 H ASP A 21 5.348 -6.106 -9.038 1.00 0.00 H new ATOM 0 HA ASP A 21 4.376 -7.971 -8.318 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.670 -7.905 -7.028 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.677 -7.595 -5.617 1.00 0.00 H new ATOM 250 N VAL A 22 2.760 -5.923 -6.998 1.00 0.00 N ATOM 251 CA VAL A 22 1.583 -5.485 -6.267 1.00 0.00 C ATOM 252 C VAL A 22 0.413 -6.418 -6.586 1.00 0.00 C ATOM 253 O VAL A 22 -0.144 -6.369 -7.682 1.00 0.00 O ATOM 254 CB VAL A 22 1.283 -4.019 -6.587 1.00 0.00 C ATOM 255 CG1 VAL A 22 0.106 -3.506 -5.756 1.00 0.00 C ATOM 256 CG2 VAL A 22 2.523 -3.147 -6.378 1.00 0.00 C ATOM 0 H VAL A 22 3.000 -5.347 -7.805 1.00 0.00 H new ATOM 0 HA VAL A 22 1.759 -5.540 -5.193 1.00 0.00 H new ATOM 0 HB VAL A 22 1.003 -3.957 -7.639 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.086 -2.462 -6.003 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.781 -4.100 -5.976 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.345 -3.590 -4.696 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.282 -2.110 -6.612 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.847 -3.219 -5.340 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.324 -3.490 -7.033 1.00 0.00 H new ATOM 266 N THR A 23 0.074 -7.246 -5.609 1.00 0.00 N ATOM 267 CA THR A 23 -1.019 -8.189 -5.773 1.00 0.00 C ATOM 268 C THR A 23 -1.845 -8.276 -4.488 1.00 0.00 C ATOM 269 O THR A 23 -1.338 -8.002 -3.401 1.00 0.00 O ATOM 270 CB THR A 23 -0.426 -9.531 -6.206 1.00 0.00 C ATOM 271 OG1 THR A 23 -1.524 -10.222 -6.794 1.00 0.00 O ATOM 272 CG2 THR A 23 -0.027 -10.406 -5.017 1.00 0.00 C ATOM 0 H THR A 23 0.537 -7.283 -4.701 1.00 0.00 H new ATOM 0 HA THR A 23 -1.712 -7.860 -6.547 1.00 0.00 H new ATOM 0 HB THR A 23 0.446 -9.356 -6.836 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.228 -11.103 -7.104 1.00 0.00 H new ATOM 0 HG21 THR A 23 0.388 -11.346 -5.380 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.721 -9.887 -4.418 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.905 -10.610 -4.404 1.00 0.00 H new ATOM 280 N LEU A 24 -3.102 -8.659 -4.655 1.00 0.00 N ATOM 281 CA LEU A 24 -4.002 -8.786 -3.521 1.00 0.00 C ATOM 282 C LEU A 24 -4.445 -10.244 -3.388 1.00 0.00 C ATOM 283 O LEU A 24 -4.375 -11.008 -4.350 1.00 0.00 O ATOM 284 CB LEU A 24 -5.165 -7.799 -3.647 1.00 0.00 C ATOM 285 CG LEU A 24 -4.781 -6.337 -3.883 1.00 0.00 C ATOM 286 CD1 LEU A 24 -5.893 -5.591 -4.623 1.00 0.00 C ATOM 287 CD2 LEU A 24 -4.406 -5.650 -2.569 1.00 0.00 C ATOM 0 H LEU A 24 -3.519 -8.886 -5.558 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.489 -8.523 -2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.804 -8.123 -4.469 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.763 -7.855 -2.737 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.898 -6.314 -4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.595 -4.554 -4.778 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.070 -6.066 -5.588 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.808 -5.621 -4.031 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.137 -4.612 -2.765 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.255 -5.682 -1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.558 -6.165 -2.118 1.00 0.00 H new ATOM 299 N GLN A 25 -4.892 -10.587 -2.189 1.00 0.00 N ATOM 300 CA GLN A 25 -5.347 -11.940 -1.918 1.00 0.00 C ATOM 301 C GLN A 25 -6.155 -11.978 -0.619 1.00 0.00 C ATOM 302 O GLN A 25 -5.654 -11.604 0.440 1.00 0.00 O ATOM 303 CB GLN A 25 -4.168 -12.913 -1.859 1.00 0.00 C ATOM 304 CG GLN A 25 -4.594 -14.318 -2.289 1.00 0.00 C ATOM 305 CD GLN A 25 -3.713 -14.832 -3.430 1.00 0.00 C ATOM 306 OE1 GLN A 25 -3.695 -14.296 -4.525 1.00 0.00 O ATOM 307 NE2 GLN A 25 -2.986 -15.900 -3.113 1.00 0.00 N ATOM 0 H GLN A 25 -4.949 -9.951 -1.394 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.995 -12.255 -2.736 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.366 -12.558 -2.507 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.768 -12.945 -0.845 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.529 -14.998 -1.440 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.636 -14.305 -2.607 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.048 -16.300 -2.177 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.366 -16.319 -3.806 1.00 0.00 H new ATOM 316 N PRO A 26 -7.426 -12.447 -0.747 1.00 0.00 N ATOM 317 CA PRO A 26 -8.308 -12.539 0.404 1.00 0.00 C ATOM 318 C PRO A 26 -7.925 -13.721 1.296 1.00 0.00 C ATOM 319 O PRO A 26 -7.957 -14.870 0.857 1.00 0.00 O ATOM 320 CB PRO A 26 -9.705 -12.664 -0.181 1.00 0.00 C ATOM 321 CG PRO A 26 -9.515 -13.104 -1.624 1.00 0.00 C ATOM 322 CD PRO A 26 -8.053 -12.899 -1.985 1.00 0.00 C ATOM 0 HA PRO A 26 -8.240 -11.669 1.057 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -10.297 -13.391 0.374 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -10.237 -11.714 -0.129 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -9.795 -14.151 -1.744 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -10.157 -12.525 -2.287 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.600 -13.823 -2.344 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.941 -12.160 -2.779 1.00 0.00 H new ATOM 330 N VAL A 27 -7.571 -13.399 2.531 1.00 0.00 N ATOM 331 CA VAL A 27 -7.182 -14.421 3.488 1.00 0.00 C ATOM 332 C VAL A 27 -8.312 -14.622 4.501 1.00 0.00 C ATOM 333 O VAL A 27 -8.614 -15.752 4.882 1.00 0.00 O ATOM 334 CB VAL A 27 -5.852 -14.044 4.144 1.00 0.00 C ATOM 335 CG1 VAL A 27 -4.683 -14.275 3.184 1.00 0.00 C ATOM 336 CG2 VAL A 27 -5.876 -12.598 4.642 1.00 0.00 C ATOM 0 H VAL A 27 -7.545 -12.445 2.891 1.00 0.00 H new ATOM 0 HA VAL A 27 -7.023 -15.375 2.985 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.709 -14.692 5.008 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.749 -13.999 3.675 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.647 -15.327 2.901 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.818 -13.663 2.292 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.919 -12.356 5.104 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.053 -11.927 3.802 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.673 -12.479 5.376 1.00 0.00 H new ATOM 346 N THR A 28 -8.905 -13.509 4.906 1.00 0.00 N ATOM 347 CA THR A 28 -9.994 -13.549 5.867 1.00 0.00 C ATOM 348 C THR A 28 -11.266 -12.956 5.256 1.00 0.00 C ATOM 349 O THR A 28 -11.259 -12.511 4.109 1.00 0.00 O ATOM 350 CB THR A 28 -9.535 -12.825 7.134 1.00 0.00 C ATOM 351 OG1 THR A 28 -9.366 -11.472 6.719 1.00 0.00 O ATOM 352 CG2 THR A 28 -8.136 -13.255 7.579 1.00 0.00 C ATOM 0 H THR A 28 -8.652 -12.574 4.586 1.00 0.00 H new ATOM 0 HA THR A 28 -10.246 -14.575 6.135 1.00 0.00 H new ATOM 0 HB THR A 28 -10.246 -13.014 7.938 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.437 -11.329 6.441 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.858 -12.712 8.482 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.132 -14.326 7.784 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.419 -13.035 6.788 1.00 0.00 H new ATOM 360 N SER A 29 -12.327 -12.968 6.050 1.00 0.00 N ATOM 361 CA SER A 29 -13.603 -12.437 5.601 1.00 0.00 C ATOM 362 C SER A 29 -13.624 -10.916 5.766 1.00 0.00 C ATOM 363 O SER A 29 -14.391 -10.226 5.096 1.00 0.00 O ATOM 364 CB SER A 29 -14.764 -13.071 6.371 1.00 0.00 C ATOM 365 OG SER A 29 -14.580 -14.471 6.557 1.00 0.00 O ATOM 0 H SER A 29 -12.329 -13.337 7.001 1.00 0.00 H new ATOM 0 HA SER A 29 -13.724 -12.683 4.546 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.862 -12.586 7.342 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.695 -12.896 5.832 1.00 0.00 H new ATOM 0 HG SER A 29 -15.341 -14.838 7.054 1.00 0.00 H new ATOM 371 N GLN A 30 -12.772 -10.438 6.661 1.00 0.00 N ATOM 372 CA GLN A 30 -12.683 -9.012 6.922 1.00 0.00 C ATOM 373 C GLN A 30 -11.227 -8.548 6.846 1.00 0.00 C ATOM 374 O GLN A 30 -10.746 -7.851 7.739 1.00 0.00 O ATOM 375 CB GLN A 30 -13.299 -8.663 8.278 1.00 0.00 C ATOM 376 CG GLN A 30 -14.813 -8.887 8.266 1.00 0.00 C ATOM 377 CD GLN A 30 -15.422 -8.587 9.637 1.00 0.00 C ATOM 378 OE1 GLN A 30 -14.945 -9.032 10.668 1.00 0.00 O ATOM 379 NE2 GLN A 30 -16.501 -7.809 9.591 1.00 0.00 N ATOM 0 H GLN A 30 -12.137 -11.013 7.214 1.00 0.00 H new ATOM 0 HA GLN A 30 -13.252 -8.486 6.155 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -12.843 -9.275 9.057 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -13.083 -7.623 8.523 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -15.273 -8.248 7.512 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -15.030 -9.918 7.985 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -16.848 -7.471 8.693 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -16.981 -7.551 10.453 1.00 0.00 H new ATOM 388 N SER A 31 -10.565 -8.953 5.772 1.00 0.00 N ATOM 389 CA SER A 31 -9.174 -8.588 5.568 1.00 0.00 C ATOM 390 C SER A 31 -8.680 -9.134 4.227 1.00 0.00 C ATOM 391 O SER A 31 -9.367 -9.927 3.585 1.00 0.00 O ATOM 392 CB SER A 31 -8.295 -9.107 6.708 1.00 0.00 C ATOM 393 OG SER A 31 -7.422 -10.148 6.278 1.00 0.00 O ATOM 0 H SER A 31 -10.967 -9.531 5.034 1.00 0.00 H new ATOM 0 HA SER A 31 -9.105 -7.500 5.558 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.706 -8.285 7.115 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.928 -9.475 7.515 1.00 0.00 H new ATOM 0 HG SER A 31 -6.878 -10.452 7.034 1.00 0.00 H new ATOM 399 N ILE A 32 -7.493 -8.688 3.843 1.00 0.00 N ATOM 400 CA ILE A 32 -6.900 -9.122 2.590 1.00 0.00 C ATOM 401 C ILE A 32 -5.376 -9.052 2.700 1.00 0.00 C ATOM 402 O ILE A 32 -4.844 -8.348 3.557 1.00 0.00 O ATOM 403 CB ILE A 32 -7.469 -8.316 1.420 1.00 0.00 C ATOM 404 CG1 ILE A 32 -8.977 -8.540 1.282 1.00 0.00 C ATOM 405 CG2 ILE A 32 -6.722 -8.631 0.122 1.00 0.00 C ATOM 406 CD1 ILE A 32 -9.533 -7.795 0.067 1.00 0.00 C ATOM 0 H ILE A 32 -6.926 -8.030 4.378 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.158 -10.161 2.387 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.318 -7.257 1.629 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -9.182 -9.606 1.185 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.483 -8.199 2.185 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.146 -8.045 -0.693 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.668 -8.380 0.239 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.819 -9.693 -0.105 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.606 -7.971 -0.008 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.347 -6.727 0.179 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -9.042 -8.156 -0.837 1.00 0.00 H new ATOM 418 N GLN A 33 -4.716 -9.792 1.822 1.00 0.00 N ATOM 419 CA GLN A 33 -3.263 -9.823 1.810 1.00 0.00 C ATOM 420 C GLN A 33 -2.724 -8.992 0.644 1.00 0.00 C ATOM 421 O GLN A 33 -3.092 -9.219 -0.507 1.00 0.00 O ATOM 422 CB GLN A 33 -2.746 -11.261 1.744 1.00 0.00 C ATOM 423 CG GLN A 33 -1.220 -11.290 1.638 1.00 0.00 C ATOM 424 CD GLN A 33 -0.676 -12.687 1.946 1.00 0.00 C ATOM 425 OE1 GLN A 33 -1.363 -13.688 1.831 1.00 0.00 O ATOM 426 NE2 GLN A 33 0.594 -12.697 2.343 1.00 0.00 N ATOM 0 H GLN A 33 -5.161 -10.375 1.113 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.902 -9.385 2.740 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.063 -11.806 2.633 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.184 -11.770 0.885 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.916 -10.990 0.635 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.790 -10.567 2.331 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.112 -11.821 2.418 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.050 -13.580 2.573 1.00 0.00 H new ATOM 435 N VAL A 34 -1.861 -8.045 0.983 1.00 0.00 N ATOM 436 CA VAL A 34 -1.267 -7.179 -0.021 1.00 0.00 C ATOM 437 C VAL A 34 0.248 -7.388 -0.037 1.00 0.00 C ATOM 438 O VAL A 34 0.922 -7.150 0.964 1.00 0.00 O ATOM 439 CB VAL A 34 -1.667 -5.726 0.239 1.00 0.00 C ATOM 440 CG1 VAL A 34 -1.144 -4.807 -0.867 1.00 0.00 C ATOM 441 CG2 VAL A 34 -3.184 -5.593 0.391 1.00 0.00 C ATOM 0 H VAL A 34 -1.559 -7.859 1.939 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.640 -7.433 -1.013 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.208 -5.415 1.178 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.442 -3.780 -0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.056 -4.868 -0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.560 -5.118 -1.825 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.441 -4.550 0.575 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.672 -5.931 -0.523 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.521 -6.203 1.229 1.00 0.00 H new ATOM 451 N THR A 35 0.740 -7.832 -1.185 1.00 0.00 N ATOM 452 CA THR A 35 2.164 -8.076 -1.345 1.00 0.00 C ATOM 453 C THR A 35 2.723 -7.235 -2.494 1.00 0.00 C ATOM 454 O THR A 35 2.075 -7.082 -3.528 1.00 0.00 O ATOM 455 CB THR A 35 2.367 -9.580 -1.537 1.00 0.00 C ATOM 456 OG1 THR A 35 1.211 -9.997 -2.258 1.00 0.00 O ATOM 457 CG2 THR A 35 2.284 -10.355 -0.220 1.00 0.00 C ATOM 0 H THR A 35 0.178 -8.029 -2.013 1.00 0.00 H new ATOM 0 HA THR A 35 2.720 -7.769 -0.459 1.00 0.00 H new ATOM 0 HB THR A 35 3.336 -9.759 -2.003 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.392 -10.853 -2.699 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.435 -11.417 -0.413 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.055 -9.997 0.462 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.303 -10.204 0.230 1.00 0.00 H new ATOM 465 N TRP A 36 3.921 -6.713 -2.275 1.00 0.00 N ATOM 466 CA TRP A 36 4.575 -5.892 -3.279 1.00 0.00 C ATOM 467 C TRP A 36 6.085 -5.984 -3.055 1.00 0.00 C ATOM 468 O TRP A 36 6.534 -6.382 -1.981 1.00 0.00 O ATOM 469 CB TRP A 36 4.051 -4.455 -3.239 1.00 0.00 C ATOM 470 CG TRP A 36 4.463 -3.677 -1.988 1.00 0.00 C ATOM 471 CD1 TRP A 36 5.587 -2.976 -1.785 1.00 0.00 C ATOM 472 CD2 TRP A 36 3.705 -3.548 -0.767 1.00 0.00 C ATOM 473 NE1 TRP A 36 5.609 -2.408 -0.528 1.00 0.00 N ATOM 474 CE2 TRP A 36 4.428 -2.767 0.111 1.00 0.00 C ATOM 475 CE3 TRP A 36 2.449 -4.075 -0.416 1.00 0.00 C ATOM 476 CZ2 TRP A 36 3.979 -2.442 1.397 1.00 0.00 C ATOM 477 CZ3 TRP A 36 2.015 -3.741 0.873 1.00 0.00 C ATOM 478 CH2 TRP A 36 2.730 -2.955 1.768 1.00 0.00 C ATOM 0 H TRP A 36 4.456 -6.843 -1.416 1.00 0.00 H new ATOM 0 HA TRP A 36 4.349 -6.256 -4.281 1.00 0.00 H new ATOM 0 HB2 TRP A 36 4.411 -3.923 -4.120 1.00 0.00 H new ATOM 0 HB3 TRP A 36 2.963 -4.474 -3.301 1.00 0.00 H new ATOM 0 HD1 TRP A 36 6.377 -2.869 -2.514 1.00 0.00 H new ATOM 0 HE1 TRP A 36 6.355 -1.831 -0.139 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.866 -4.688 -1.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 4.564 -1.829 2.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 1.057 -4.121 1.194 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.324 -2.741 2.746 1.00 0.00 H new ATOM 489 N LYS A 37 6.828 -5.609 -4.086 1.00 0.00 N ATOM 490 CA LYS A 37 8.279 -5.645 -4.015 1.00 0.00 C ATOM 491 C LYS A 37 8.827 -4.223 -4.158 1.00 0.00 C ATOM 492 O LYS A 37 8.076 -3.290 -4.436 1.00 0.00 O ATOM 493 CB LYS A 37 8.842 -6.627 -5.044 1.00 0.00 C ATOM 494 CG LYS A 37 8.558 -8.074 -4.634 1.00 0.00 C ATOM 495 CD LYS A 37 9.332 -9.056 -5.515 1.00 0.00 C ATOM 496 CE LYS A 37 10.697 -9.380 -4.908 1.00 0.00 C ATOM 497 NZ LYS A 37 11.538 -10.112 -5.882 1.00 0.00 N ATOM 0 H LYS A 37 6.452 -5.279 -4.975 1.00 0.00 H new ATOM 0 HA LYS A 37 8.604 -6.017 -3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.401 -6.429 -6.021 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.917 -6.478 -5.144 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.835 -8.221 -3.590 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.489 -8.275 -4.712 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.756 -9.974 -5.635 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.464 -8.631 -6.510 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.196 -8.458 -4.608 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.568 -9.980 -4.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.461 -10.324 -5.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.068 -11.001 -6.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.677 -9.526 -6.730 1.00 0.00 H new ATOM 511 N ALA A 38 10.132 -4.104 -3.962 1.00 0.00 N ATOM 512 CA ALA A 38 10.790 -2.812 -4.065 1.00 0.00 C ATOM 513 C ALA A 38 10.433 -2.170 -5.407 1.00 0.00 C ATOM 514 O ALA A 38 10.424 -2.841 -6.438 1.00 0.00 O ATOM 515 CB ALA A 38 12.299 -2.992 -3.887 1.00 0.00 C ATOM 0 H ALA A 38 10.752 -4.881 -3.732 1.00 0.00 H new ATOM 0 HA ALA A 38 10.447 -2.142 -3.277 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.793 -2.023 -3.964 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.501 -3.425 -2.907 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.680 -3.656 -4.663 1.00 0.00 H new ATOM 521 N PRO A 39 10.141 -0.843 -5.350 1.00 0.00 N ATOM 522 CA PRO A 39 9.785 -0.102 -6.548 1.00 0.00 C ATOM 523 C PRO A 39 11.018 0.172 -7.410 1.00 0.00 C ATOM 524 O PRO A 39 11.771 1.107 -7.143 1.00 0.00 O ATOM 525 CB PRO A 39 9.119 1.168 -6.042 1.00 0.00 C ATOM 526 CG PRO A 39 9.542 1.309 -4.589 1.00 0.00 C ATOM 527 CD PRO A 39 10.142 -0.016 -4.147 1.00 0.00 C ATOM 0 HA PRO A 39 9.111 -0.656 -7.201 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.433 2.033 -6.626 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.034 1.102 -6.129 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.270 2.113 -4.480 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.686 1.567 -3.966 1.00 0.00 H new ATOM 0 HD2 PRO A 39 11.152 0.117 -3.758 1.00 0.00 H new ATOM 0 HD3 PRO A 39 9.552 -0.472 -3.352 1.00 0.00 H new ATOM 535 N LYS A 40 11.187 -0.661 -8.427 1.00 0.00 N ATOM 536 CA LYS A 40 12.317 -0.520 -9.330 1.00 0.00 C ATOM 537 C LYS A 40 13.590 -0.289 -8.514 1.00 0.00 C ATOM 538 O LYS A 40 13.589 -0.450 -7.295 1.00 0.00 O ATOM 539 CB LYS A 40 12.042 0.573 -10.365 1.00 0.00 C ATOM 540 CG LYS A 40 11.495 -0.026 -11.662 1.00 0.00 C ATOM 541 CD LYS A 40 9.969 -0.124 -11.619 1.00 0.00 C ATOM 542 CE LYS A 40 9.348 0.429 -12.904 1.00 0.00 C ATOM 543 NZ LYS A 40 8.141 1.228 -12.594 1.00 0.00 N ATOM 0 H LYS A 40 10.560 -1.436 -8.645 1.00 0.00 H new ATOM 0 HA LYS A 40 12.466 -1.437 -9.901 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.327 1.290 -9.961 1.00 0.00 H new ATOM 0 HB3 LYS A 40 12.961 1.122 -10.573 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.800 0.590 -12.508 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.922 -1.016 -11.818 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.671 -1.164 -11.485 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.589 0.429 -10.760 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.076 1.047 -13.430 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.086 -0.392 -13.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.860 1.772 -13.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.366 0.592 -12.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.349 1.881 -11.812 1.00 0.00 H new ATOM 557 N LYS A 41 14.647 0.085 -9.220 1.00 0.00 N ATOM 558 CA LYS A 41 15.925 0.340 -8.577 1.00 0.00 C ATOM 559 C LYS A 41 16.329 1.796 -8.815 1.00 0.00 C ATOM 560 O LYS A 41 16.723 2.495 -7.882 1.00 0.00 O ATOM 561 CB LYS A 41 16.972 -0.673 -9.045 1.00 0.00 C ATOM 562 CG LYS A 41 18.388 -0.179 -8.740 1.00 0.00 C ATOM 563 CD LYS A 41 18.674 -0.228 -7.238 1.00 0.00 C ATOM 564 CE LYS A 41 19.194 -1.606 -6.824 1.00 0.00 C ATOM 565 NZ LYS A 41 19.709 -1.571 -5.437 1.00 0.00 N ATOM 0 H LYS A 41 14.645 0.218 -10.231 1.00 0.00 H new ATOM 0 HA LYS A 41 15.843 0.204 -7.499 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.803 -1.630 -8.552 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.865 -0.843 -10.116 1.00 0.00 H new ATOM 0 HG2 LYS A 41 19.114 -0.794 -9.272 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.507 0.842 -9.103 1.00 0.00 H new ATOM 0 HD2 LYS A 41 19.408 0.535 -6.979 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.765 0.003 -6.683 1.00 0.00 H new ATOM 0 HE2 LYS A 41 18.394 -2.342 -6.902 1.00 0.00 H new ATOM 0 HE3 LYS A 41 19.985 -1.922 -7.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 20.058 -2.514 -5.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 20.487 -0.884 -5.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 18.945 -1.290 -4.790 1.00 0.00 H new ATOM 579 N GLU A 42 16.218 2.211 -10.068 1.00 0.00 N ATOM 580 CA GLU A 42 16.566 3.571 -10.440 1.00 0.00 C ATOM 581 C GLU A 42 15.467 4.540 -10.001 1.00 0.00 C ATOM 582 O GLU A 42 15.662 5.755 -10.018 1.00 0.00 O ATOM 583 CB GLU A 42 16.823 3.680 -11.945 1.00 0.00 C ATOM 584 CG GLU A 42 15.509 3.663 -12.728 1.00 0.00 C ATOM 585 CD GLU A 42 15.768 3.711 -14.235 1.00 0.00 C ATOM 586 OE1 GLU A 42 16.328 4.736 -14.682 1.00 0.00 O ATOM 587 OE2 GLU A 42 15.400 2.723 -14.906 1.00 0.00 O ATOM 0 H GLU A 42 15.892 1.628 -10.839 1.00 0.00 H new ATOM 0 HA GLU A 42 17.489 3.842 -9.926 1.00 0.00 H new ATOM 0 HB2 GLU A 42 17.366 4.600 -12.159 1.00 0.00 H new ATOM 0 HB3 GLU A 42 17.455 2.854 -12.270 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.946 2.763 -12.481 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.895 4.514 -12.434 1.00 0.00 H new ATOM 594 N LEU A 43 14.336 3.967 -9.616 1.00 0.00 N ATOM 595 CA LEU A 43 13.206 4.765 -9.173 1.00 0.00 C ATOM 596 C LEU A 43 13.220 4.856 -7.646 1.00 0.00 C ATOM 597 O LEU A 43 12.613 5.757 -7.069 1.00 0.00 O ATOM 598 CB LEU A 43 11.900 4.208 -9.744 1.00 0.00 C ATOM 599 CG LEU A 43 11.797 4.171 -11.270 1.00 0.00 C ATOM 600 CD1 LEU A 43 10.470 3.554 -11.715 1.00 0.00 C ATOM 601 CD2 LEU A 43 12.011 5.563 -11.868 1.00 0.00 C ATOM 0 H LEU A 43 14.178 2.959 -9.602 1.00 0.00 H new ATOM 0 HA LEU A 43 13.285 5.783 -9.555 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.764 3.195 -9.366 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.074 4.805 -9.358 1.00 0.00 H new ATOM 0 HG LEU A 43 12.593 3.531 -11.651 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.422 3.540 -12.804 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.397 2.535 -11.335 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.644 4.147 -11.323 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.933 5.509 -12.954 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.253 6.245 -11.483 1.00 0.00 H new ATOM 0 HD23 LEU A 43 13.000 5.929 -11.594 1.00 0.00 H new ATOM 613 N GLN A 44 13.919 3.911 -7.034 1.00 0.00 N ATOM 614 CA GLN A 44 14.019 3.873 -5.585 1.00 0.00 C ATOM 615 C GLN A 44 14.454 5.238 -5.048 1.00 0.00 C ATOM 616 O GLN A 44 14.140 5.591 -3.912 1.00 0.00 O ATOM 617 CB GLN A 44 14.981 2.774 -5.131 1.00 0.00 C ATOM 618 CG GLN A 44 14.222 1.497 -4.765 1.00 0.00 C ATOM 619 CD GLN A 44 15.125 0.518 -4.013 1.00 0.00 C ATOM 620 OE1 GLN A 44 15.387 0.657 -2.830 1.00 0.00 O ATOM 621 NE2 GLN A 44 15.586 -0.478 -4.764 1.00 0.00 N ATOM 0 H GLN A 44 14.422 3.166 -7.516 1.00 0.00 H new ATOM 0 HA GLN A 44 13.035 3.640 -5.178 1.00 0.00 H new ATOM 0 HB2 GLN A 44 15.696 2.561 -5.925 1.00 0.00 H new ATOM 0 HB3 GLN A 44 15.554 3.120 -4.271 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.358 1.747 -4.149 1.00 0.00 H new ATOM 0 HG3 GLN A 44 13.841 1.024 -5.670 1.00 0.00 H new ATOM 0 HE21 GLN A 44 15.328 -0.536 -5.749 1.00 0.00 H new ATOM 0 HE22 GLN A 44 16.198 -1.184 -4.355 1.00 0.00 H new ATOM 630 N ASN A 45 15.169 5.970 -5.890 1.00 0.00 N ATOM 631 CA ASN A 45 15.650 7.289 -5.514 1.00 0.00 C ATOM 632 C ASN A 45 16.152 7.251 -4.069 1.00 0.00 C ATOM 633 O ASN A 45 15.885 8.166 -3.291 1.00 0.00 O ATOM 634 CB ASN A 45 14.530 8.328 -5.598 1.00 0.00 C ATOM 635 CG ASN A 45 14.373 8.849 -7.028 1.00 0.00 C ATOM 636 OD1 ASN A 45 15.224 8.663 -7.881 1.00 0.00 O ATOM 637 ND2 ASN A 45 13.239 9.511 -7.241 1.00 0.00 N ATOM 0 H ASN A 45 15.427 5.675 -6.832 1.00 0.00 H new ATOM 0 HA ASN A 45 16.450 7.565 -6.201 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.592 7.885 -5.263 1.00 0.00 H new ATOM 0 HB3 ASN A 45 14.748 9.158 -4.926 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.040 9.899 -8.163 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.568 9.631 -6.482 1.00 0.00 H new ATOM 644 N GLY A 46 16.869 6.182 -3.753 1.00 0.00 N ATOM 645 CA GLY A 46 17.411 6.013 -2.416 1.00 0.00 C ATOM 646 C GLY A 46 16.615 4.970 -1.630 1.00 0.00 C ATOM 647 O GLY A 46 15.596 4.472 -2.107 1.00 0.00 O ATOM 0 H GLY A 46 17.087 5.424 -4.400 1.00 0.00 H new ATOM 0 HA2 GLY A 46 18.455 5.707 -2.479 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.389 6.966 -1.888 1.00 0.00 H new ATOM 651 N VAL A 47 17.109 4.669 -0.438 1.00 0.00 N ATOM 652 CA VAL A 47 16.457 3.694 0.419 1.00 0.00 C ATOM 653 C VAL A 47 14.995 4.097 0.622 1.00 0.00 C ATOM 654 O VAL A 47 14.567 5.150 0.152 1.00 0.00 O ATOM 655 CB VAL A 47 17.227 3.554 1.734 1.00 0.00 C ATOM 656 CG1 VAL A 47 18.686 3.171 1.477 1.00 0.00 C ATOM 657 CG2 VAL A 47 17.134 4.837 2.562 1.00 0.00 C ATOM 0 H VAL A 47 17.954 5.084 -0.045 1.00 0.00 H new ATOM 0 HA VAL A 47 16.461 2.710 -0.050 1.00 0.00 H new ATOM 0 HB VAL A 47 16.767 2.750 2.309 1.00 0.00 H new ATOM 0 HG11 VAL A 47 19.211 3.078 2.428 1.00 0.00 H new ATOM 0 HG12 VAL A 47 18.724 2.219 0.947 1.00 0.00 H new ATOM 0 HG13 VAL A 47 19.164 3.942 0.873 1.00 0.00 H new ATOM 0 HG21 VAL A 47 17.689 4.711 3.491 1.00 0.00 H new ATOM 0 HG22 VAL A 47 17.557 5.667 1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 47 16.089 5.048 2.790 1.00 0.00 H new ATOM 667 N ILE A 48 14.269 3.238 1.323 1.00 0.00 N ATOM 668 CA ILE A 48 12.865 3.491 1.594 1.00 0.00 C ATOM 669 C ILE A 48 12.619 3.416 3.102 1.00 0.00 C ATOM 670 O ILE A 48 13.249 2.622 3.798 1.00 0.00 O ATOM 671 CB ILE A 48 11.982 2.543 0.779 1.00 0.00 C ATOM 672 CG1 ILE A 48 12.521 2.379 -0.644 1.00 0.00 C ATOM 673 CG2 ILE A 48 10.524 3.006 0.790 1.00 0.00 C ATOM 674 CD1 ILE A 48 12.306 3.654 -1.462 1.00 0.00 C ATOM 0 H ILE A 48 14.628 2.366 1.711 1.00 0.00 H new ATOM 0 HA ILE A 48 12.591 4.497 1.276 1.00 0.00 H new ATOM 0 HB ILE A 48 12.011 1.560 1.249 1.00 0.00 H new ATOM 0 HG12 ILE A 48 13.584 2.140 -0.609 1.00 0.00 H new ATOM 0 HG13 ILE A 48 12.022 1.541 -1.131 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.918 2.315 0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 48 10.157 3.029 1.816 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.456 4.004 0.358 1.00 0.00 H new ATOM 0 HD11 ILE A 48 12.698 3.511 -2.469 1.00 0.00 H new ATOM 0 HD12 ILE A 48 11.240 3.877 -1.516 1.00 0.00 H new ATOM 0 HD13 ILE A 48 12.826 4.484 -0.985 1.00 0.00 H new ATOM 686 N ARG A 49 11.702 4.254 3.562 1.00 0.00 N ATOM 687 CA ARG A 49 11.365 4.292 4.975 1.00 0.00 C ATOM 688 C ARG A 49 10.100 3.474 5.242 1.00 0.00 C ATOM 689 O ARG A 49 9.898 2.981 6.351 1.00 0.00 O ATOM 690 CB ARG A 49 11.144 5.730 5.450 1.00 0.00 C ATOM 691 CG ARG A 49 12.424 6.556 5.313 1.00 0.00 C ATOM 692 CD ARG A 49 12.998 6.909 6.686 1.00 0.00 C ATOM 693 NE ARG A 49 14.471 6.764 6.672 1.00 0.00 N ATOM 694 CZ ARG A 49 15.111 5.592 6.787 1.00 0.00 C ATOM 695 NH1 ARG A 49 14.412 4.457 6.925 1.00 0.00 N ATOM 696 NH2 ARG A 49 16.450 5.555 6.764 1.00 0.00 N ATOM 0 H ARG A 49 11.182 4.912 2.981 1.00 0.00 H new ATOM 0 HA ARG A 49 12.202 3.863 5.527 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.346 6.190 4.868 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.819 5.727 6.490 1.00 0.00 H new ATOM 0 HG2 ARG A 49 13.163 5.996 4.739 1.00 0.00 H new ATOM 0 HG3 ARG A 49 12.214 7.470 4.757 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.728 7.931 6.950 1.00 0.00 H new ATOM 0 HD3 ARG A 49 12.568 6.258 7.447 1.00 0.00 H new ATOM 0 HE ARG A 49 15.034 7.608 6.568 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.393 4.485 6.943 1.00 0.00 H new ATOM 0 HH12 ARG A 49 14.899 3.565 7.012 1.00 0.00 H new ATOM 0 HH21 ARG A 49 16.982 6.419 6.659 1.00 0.00 H new ATOM 0 HH22 ARG A 49 16.937 4.663 6.852 1.00 0.00 H new ATOM 710 N GLY A 50 9.281 3.355 4.207 1.00 0.00 N ATOM 711 CA GLY A 50 8.042 2.605 4.316 1.00 0.00 C ATOM 712 C GLY A 50 7.142 2.855 3.104 1.00 0.00 C ATOM 713 O GLY A 50 7.518 3.582 2.186 1.00 0.00 O ATOM 0 H GLY A 50 9.452 3.766 3.289 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.263 1.541 4.396 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.518 2.892 5.228 1.00 0.00 H new ATOM 717 N TYR A 51 5.970 2.238 3.140 1.00 0.00 N ATOM 718 CA TYR A 51 5.013 2.384 2.056 1.00 0.00 C ATOM 719 C TYR A 51 3.599 2.598 2.599 1.00 0.00 C ATOM 720 O TYR A 51 3.283 2.168 3.707 1.00 0.00 O ATOM 721 CB TYR A 51 5.054 1.067 1.278 1.00 0.00 C ATOM 722 CG TYR A 51 6.394 0.791 0.593 1.00 0.00 C ATOM 723 CD1 TYR A 51 7.524 0.566 1.353 1.00 0.00 C ATOM 724 CD2 TYR A 51 6.473 0.766 -0.785 1.00 0.00 C ATOM 725 CE1 TYR A 51 8.785 0.306 0.708 1.00 0.00 C ATOM 726 CE2 TYR A 51 7.734 0.506 -1.429 1.00 0.00 C ATOM 727 CZ TYR A 51 8.828 0.288 -0.651 1.00 0.00 C ATOM 728 OH TYR A 51 10.019 0.042 -1.260 1.00 0.00 O ATOM 0 H TYR A 51 5.661 1.636 3.903 1.00 0.00 H new ATOM 0 HA TYR A 51 5.263 3.244 1.435 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.830 0.247 1.960 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.267 1.078 0.524 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.462 0.585 2.431 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.589 0.941 -1.380 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.677 0.129 1.291 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.810 0.485 -2.506 1.00 0.00 H new ATOM 0 HH TYR A 51 10.144 -0.925 -1.356 1.00 0.00 H new ATOM 738 N GLN A 52 2.785 3.263 1.792 1.00 0.00 N ATOM 739 CA GLN A 52 1.411 3.539 2.177 1.00 0.00 C ATOM 740 C GLN A 52 0.452 2.623 1.415 1.00 0.00 C ATOM 741 O GLN A 52 0.595 2.433 0.208 1.00 0.00 O ATOM 742 CB GLN A 52 1.063 5.011 1.946 1.00 0.00 C ATOM 743 CG GLN A 52 1.411 5.856 3.173 1.00 0.00 C ATOM 744 CD GLN A 52 0.938 7.301 2.996 1.00 0.00 C ATOM 745 OE1 GLN A 52 0.888 7.835 1.900 1.00 0.00 O ATOM 746 NE2 GLN A 52 0.596 7.900 4.133 1.00 0.00 N ATOM 0 H GLN A 52 3.050 3.619 0.874 1.00 0.00 H new ATOM 0 HA GLN A 52 1.305 3.337 3.243 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.605 5.384 1.077 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.000 5.107 1.724 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.947 5.424 4.060 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.489 5.840 3.336 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.662 7.394 5.016 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.267 8.866 4.122 1.00 0.00 H new ATOM 755 N ILE A 53 -0.506 2.079 2.152 1.00 0.00 N ATOM 756 CA ILE A 53 -1.489 1.187 1.561 1.00 0.00 C ATOM 757 C ILE A 53 -2.886 1.782 1.742 1.00 0.00 C ATOM 758 O ILE A 53 -3.392 1.859 2.861 1.00 0.00 O ATOM 759 CB ILE A 53 -1.344 -0.225 2.132 1.00 0.00 C ATOM 760 CG1 ILE A 53 0.016 -0.826 1.770 1.00 0.00 C ATOM 761 CG2 ILE A 53 -2.502 -1.119 1.687 1.00 0.00 C ATOM 762 CD1 ILE A 53 1.108 -0.322 2.715 1.00 0.00 C ATOM 0 H ILE A 53 -0.622 2.239 3.153 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.319 1.091 0.489 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.388 -0.159 3.219 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.039 -1.914 1.819 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.271 -0.566 0.743 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.374 -2.117 2.107 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.444 -0.696 2.037 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.515 -1.182 0.599 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.064 -0.765 2.435 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.177 0.764 2.646 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.863 -0.605 3.739 1.00 0.00 H new ATOM 774 N GLY A 54 -3.471 2.189 0.625 1.00 0.00 N ATOM 775 CA GLY A 54 -4.800 2.776 0.647 1.00 0.00 C ATOM 776 C GLY A 54 -5.845 1.786 0.128 1.00 0.00 C ATOM 777 O GLY A 54 -5.690 1.225 -0.955 1.00 0.00 O ATOM 0 H GLY A 54 -3.049 2.124 -0.301 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.052 3.076 1.664 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.813 3.678 0.036 1.00 0.00 H new ATOM 781 N TYR A 55 -6.887 1.602 0.927 1.00 0.00 N ATOM 782 CA TYR A 55 -7.957 0.689 0.562 1.00 0.00 C ATOM 783 C TYR A 55 -9.327 1.310 0.844 1.00 0.00 C ATOM 784 O TYR A 55 -9.519 1.958 1.872 1.00 0.00 O ATOM 785 CB TYR A 55 -7.778 -0.546 1.447 1.00 0.00 C ATOM 786 CG TYR A 55 -7.779 -0.242 2.947 1.00 0.00 C ATOM 787 CD1 TYR A 55 -8.975 -0.106 3.622 1.00 0.00 C ATOM 788 CD2 TYR A 55 -6.584 -0.105 3.624 1.00 0.00 C ATOM 789 CE1 TYR A 55 -8.976 0.180 5.033 1.00 0.00 C ATOM 790 CE2 TYR A 55 -6.586 0.180 5.035 1.00 0.00 C ATOM 791 CZ TYR A 55 -7.781 0.309 5.670 1.00 0.00 C ATOM 792 OH TYR A 55 -7.782 0.579 7.003 1.00 0.00 O ATOM 0 H TYR A 55 -7.012 2.069 1.825 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.913 0.451 -0.501 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.577 -1.255 1.230 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -6.839 -1.034 1.186 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -9.910 -0.214 3.092 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.648 -0.212 3.096 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -9.905 0.290 5.574 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.658 0.289 5.577 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.858 0.643 7.325 1.00 0.00 H new ATOM 802 N ARG A 56 -10.243 1.089 -0.087 1.00 0.00 N ATOM 803 CA ARG A 56 -11.590 1.619 0.049 1.00 0.00 C ATOM 804 C ARG A 56 -12.580 0.762 -0.742 1.00 0.00 C ATOM 805 O ARG A 56 -12.285 0.339 -1.859 1.00 0.00 O ATOM 806 CB ARG A 56 -11.666 3.064 -0.448 1.00 0.00 C ATOM 807 CG ARG A 56 -11.201 3.169 -1.902 1.00 0.00 C ATOM 808 CD ARG A 56 -12.172 4.015 -2.728 1.00 0.00 C ATOM 809 NE ARG A 56 -12.137 3.587 -4.145 1.00 0.00 N ATOM 810 CZ ARG A 56 -12.679 4.284 -5.153 1.00 0.00 C ATOM 811 NH1 ARG A 56 -13.300 5.446 -4.908 1.00 0.00 N ATOM 812 NH2 ARG A 56 -12.599 3.819 -6.407 1.00 0.00 N ATOM 0 H ARG A 56 -10.080 0.551 -0.938 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.850 1.597 1.107 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -12.690 3.428 -0.363 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.047 3.702 0.183 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.206 3.612 -1.938 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.122 2.172 -2.335 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -13.183 3.913 -2.333 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.905 5.069 -2.651 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.672 2.707 -4.368 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.360 5.801 -3.954 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.712 5.976 -5.676 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.126 2.935 -6.594 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.011 4.349 -7.175 1.00 0.00 H new ATOM 826 N GLU A 57 -13.733 0.531 -0.132 1.00 0.00 N ATOM 827 CA GLU A 57 -14.768 -0.269 -0.765 1.00 0.00 C ATOM 828 C GLU A 57 -14.912 0.120 -2.238 1.00 0.00 C ATOM 829 O GLU A 57 -15.011 1.302 -2.565 1.00 0.00 O ATOM 830 CB GLU A 57 -16.100 -0.125 -0.028 1.00 0.00 C ATOM 831 CG GLU A 57 -16.803 -1.477 0.104 1.00 0.00 C ATOM 832 CD GLU A 57 -18.313 -1.296 0.273 1.00 0.00 C ATOM 833 OE1 GLU A 57 -18.787 -0.177 -0.018 1.00 0.00 O ATOM 834 OE2 GLU A 57 -18.959 -2.281 0.690 1.00 0.00 O ATOM 0 H GLU A 57 -13.974 0.884 0.794 1.00 0.00 H new ATOM 0 HA GLU A 57 -14.473 -1.317 -0.713 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -15.928 0.298 0.962 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -16.743 0.572 -0.565 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -16.602 -2.083 -0.780 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -16.400 -2.018 0.960 1.00 0.00 H new ATOM 936 N TYR A 66 -9.771 7.083 0.706 1.00 0.00 N ATOM 937 CA TYR A 66 -8.989 5.864 0.822 1.00 0.00 C ATOM 938 C TYR A 66 -8.317 5.772 2.193 1.00 0.00 C ATOM 939 O TYR A 66 -7.650 6.711 2.626 1.00 0.00 O ATOM 940 CB TYR A 66 -7.909 5.952 -0.258 1.00 0.00 C ATOM 941 CG TYR A 66 -8.361 5.451 -1.632 1.00 0.00 C ATOM 942 CD1 TYR A 66 -9.186 6.234 -2.414 1.00 0.00 C ATOM 943 CD2 TYR A 66 -7.943 4.218 -2.088 1.00 0.00 C ATOM 944 CE1 TYR A 66 -9.611 5.763 -3.707 1.00 0.00 C ATOM 945 CE2 TYR A 66 -8.367 3.748 -3.381 1.00 0.00 C ATOM 946 CZ TYR A 66 -9.180 4.543 -4.127 1.00 0.00 C ATOM 947 OH TYR A 66 -9.582 4.099 -5.348 1.00 0.00 O ATOM 0 HA TYR A 66 -9.626 4.987 0.706 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.584 6.989 -0.349 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -7.042 5.373 0.061 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -9.513 7.199 -2.056 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.298 3.606 -1.475 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.257 6.365 -4.329 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.046 2.785 -3.750 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.410 3.137 -5.419 1.00 0.00 H new ATOM 957 N SER A 67 -8.515 4.633 2.839 1.00 0.00 N ATOM 958 CA SER A 67 -7.936 4.406 4.152 1.00 0.00 C ATOM 959 C SER A 67 -6.443 4.099 4.020 1.00 0.00 C ATOM 960 O SER A 67 -6.065 3.005 3.603 1.00 0.00 O ATOM 961 CB SER A 67 -8.650 3.265 4.880 1.00 0.00 C ATOM 962 OG SER A 67 -10.004 3.590 5.183 1.00 0.00 O ATOM 0 H SER A 67 -9.069 3.857 2.477 1.00 0.00 H new ATOM 0 HA SER A 67 -8.063 5.313 4.743 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.622 2.367 4.262 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.117 3.034 5.803 1.00 0.00 H new ATOM 0 HG SER A 67 -10.426 2.836 5.646 1.00 0.00 H new ATOM 968 N ILE A 68 -5.634 5.084 4.382 1.00 0.00 N ATOM 969 CA ILE A 68 -4.191 4.932 4.309 1.00 0.00 C ATOM 970 C ILE A 68 -3.687 4.266 5.591 1.00 0.00 C ATOM 971 O ILE A 68 -4.254 4.467 6.664 1.00 0.00 O ATOM 972 CB ILE A 68 -3.525 6.277 4.013 1.00 0.00 C ATOM 973 CG1 ILE A 68 -3.882 6.768 2.608 1.00 0.00 C ATOM 974 CG2 ILE A 68 -2.012 6.199 4.225 1.00 0.00 C ATOM 975 CD1 ILE A 68 -3.448 5.755 1.547 1.00 0.00 C ATOM 0 H ILE A 68 -5.951 5.990 4.727 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.919 4.278 3.481 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.911 7.012 4.719 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.957 6.934 2.539 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.399 7.727 2.420 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.564 7.168 4.008 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.803 5.926 5.259 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.590 5.446 3.559 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.713 6.128 0.558 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.369 5.609 1.603 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.952 4.805 1.724 1.00 0.00 H new ATOM 987 N VAL A 69 -2.626 3.487 5.438 1.00 0.00 N ATOM 988 CA VAL A 69 -2.039 2.790 6.570 1.00 0.00 C ATOM 989 C VAL A 69 -0.515 2.885 6.487 1.00 0.00 C ATOM 990 O VAL A 69 0.091 2.391 5.537 1.00 0.00 O ATOM 991 CB VAL A 69 -2.547 1.347 6.617 1.00 0.00 C ATOM 992 CG1 VAL A 69 -3.750 1.220 7.553 1.00 0.00 C ATOM 993 CG2 VAL A 69 -2.887 0.840 5.214 1.00 0.00 C ATOM 0 H VAL A 69 -2.158 3.323 4.547 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.343 3.258 7.506 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.747 0.722 7.014 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.091 0.185 7.568 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.461 1.522 8.560 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.556 1.863 7.199 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.246 -0.188 5.275 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.663 1.469 4.778 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.995 0.876 4.588 1.00 0.00 H new ATOM 1003 N GLU A 70 0.062 3.524 7.494 1.00 0.00 N ATOM 1004 CA GLU A 70 1.505 3.690 7.547 1.00 0.00 C ATOM 1005 C GLU A 70 2.168 2.409 8.057 1.00 0.00 C ATOM 1006 O GLU A 70 1.683 1.787 9.001 1.00 0.00 O ATOM 1007 CB GLU A 70 1.887 4.889 8.417 1.00 0.00 C ATOM 1008 CG GLU A 70 3.292 4.719 8.998 1.00 0.00 C ATOM 1009 CD GLU A 70 3.243 4.015 10.355 1.00 0.00 C ATOM 1010 OE1 GLU A 70 2.377 4.406 11.167 1.00 0.00 O ATOM 1011 OE2 GLU A 70 4.073 3.101 10.551 1.00 0.00 O ATOM 0 H GLU A 70 -0.443 3.933 8.280 1.00 0.00 H new ATOM 0 HA GLU A 70 1.866 3.886 6.537 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.843 5.802 7.824 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.166 5.000 9.227 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.908 4.143 8.307 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.765 5.695 9.108 1.00 0.00 H new ATOM 1018 N MET A 71 3.268 2.052 7.410 1.00 0.00 N ATOM 1019 CA MET A 71 4.003 0.856 7.786 1.00 0.00 C ATOM 1020 C MET A 71 5.512 1.102 7.736 1.00 0.00 C ATOM 1021 O MET A 71 5.956 2.189 7.370 1.00 0.00 O ATOM 1022 CB MET A 71 3.640 -0.287 6.836 1.00 0.00 C ATOM 1023 CG MET A 71 4.249 -0.063 5.450 1.00 0.00 C ATOM 1024 SD MET A 71 5.877 -0.791 5.375 1.00 0.00 S ATOM 1025 CE MET A 71 5.449 -2.460 4.909 1.00 0.00 C ATOM 0 H MET A 71 3.668 2.570 6.628 1.00 0.00 H new ATOM 0 HA MET A 71 3.730 0.591 8.808 1.00 0.00 H new ATOM 0 HB2 MET A 71 3.997 -1.232 7.245 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.556 -0.365 6.753 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.609 -0.504 4.686 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.309 1.004 5.238 1.00 0.00 H new ATOM 0 HE1 MET A 71 6.242 -3.140 5.221 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.515 -2.745 5.394 1.00 0.00 H new ATOM 0 HE3 MET A 71 5.328 -2.516 3.827 1.00 0.00 H new ATOM 1035 N LYS A 72 6.260 0.073 8.109 1.00 0.00 N ATOM 1036 CA LYS A 72 7.710 0.164 8.111 1.00 0.00 C ATOM 1037 C LYS A 72 8.286 -0.923 7.201 1.00 0.00 C ATOM 1038 O LYS A 72 7.717 -2.008 7.088 1.00 0.00 O ATOM 1039 CB LYS A 72 8.248 0.116 9.543 1.00 0.00 C ATOM 1040 CG LYS A 72 8.066 -1.277 10.150 1.00 0.00 C ATOM 1041 CD LYS A 72 9.410 -1.864 10.585 1.00 0.00 C ATOM 1042 CE LYS A 72 9.213 -3.161 11.373 1.00 0.00 C ATOM 1043 NZ LYS A 72 10.167 -3.232 12.502 1.00 0.00 N ATOM 0 H LYS A 72 5.889 -0.827 8.412 1.00 0.00 H new ATOM 0 HA LYS A 72 8.032 1.123 7.706 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.305 0.384 9.548 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.730 0.854 10.155 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.395 -1.219 11.007 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.595 -1.937 9.421 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.027 -2.058 9.708 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.946 -1.140 11.198 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.191 -3.213 11.749 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.355 -4.018 10.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.020 -4.118 13.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.140 -3.204 12.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.013 -2.424 13.138 1.00 0.00 H new ATOM 1057 N ALA A 73 9.406 -0.594 6.576 1.00 0.00 N ATOM 1058 CA ALA A 73 10.065 -1.528 5.679 1.00 0.00 C ATOM 1059 C ALA A 73 10.938 -2.483 6.496 1.00 0.00 C ATOM 1060 O ALA A 73 11.555 -2.078 7.480 1.00 0.00 O ATOM 1061 CB ALA A 73 10.871 -0.752 4.635 1.00 0.00 C ATOM 0 H ALA A 73 9.874 0.307 6.673 1.00 0.00 H new ATOM 0 HA ALA A 73 9.330 -2.129 5.143 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.365 -1.453 3.962 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.202 -0.110 4.062 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.621 -0.140 5.136 1.00 0.00 H new ATOM 1067 N THR A 74 10.961 -3.734 6.059 1.00 0.00 N ATOM 1068 CA THR A 74 11.747 -4.750 6.738 1.00 0.00 C ATOM 1069 C THR A 74 12.628 -5.499 5.736 1.00 0.00 C ATOM 1070 O THR A 74 13.196 -6.540 6.061 1.00 0.00 O ATOM 1071 CB THR A 74 10.784 -5.661 7.501 1.00 0.00 C ATOM 1072 OG1 THR A 74 10.312 -6.572 6.512 1.00 0.00 O ATOM 1073 CG2 THR A 74 9.524 -4.926 7.963 1.00 0.00 C ATOM 0 H THR A 74 10.448 -4.067 5.243 1.00 0.00 H new ATOM 0 HA THR A 74 12.434 -4.304 7.458 1.00 0.00 H new ATOM 0 HB THR A 74 11.294 -6.085 8.366 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.775 -6.088 5.851 1.00 0.00 H new ATOM 0 HG21 THR A 74 8.875 -5.618 8.499 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.803 -4.105 8.623 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.995 -4.530 7.096 1.00 0.00 H new ATOM 1081 N GLY A 75 12.715 -4.939 4.538 1.00 0.00 N ATOM 1082 CA GLY A 75 13.518 -5.541 3.487 1.00 0.00 C ATOM 1083 C GLY A 75 13.172 -4.943 2.123 1.00 0.00 C ATOM 1084 O GLY A 75 12.957 -3.737 2.006 1.00 0.00 O ATOM 0 H GLY A 75 12.243 -4.075 4.272 1.00 0.00 H new ATOM 0 HA2 GLY A 75 14.576 -5.386 3.698 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.351 -6.618 3.469 1.00 0.00 H new ATOM 1088 N ASP A 76 13.129 -5.813 1.124 1.00 0.00 N ATOM 1089 CA ASP A 76 12.814 -5.385 -0.228 1.00 0.00 C ATOM 1090 C ASP A 76 11.329 -5.630 -0.502 1.00 0.00 C ATOM 1091 O ASP A 76 10.674 -4.823 -1.159 1.00 0.00 O ATOM 1092 CB ASP A 76 13.621 -6.177 -1.259 1.00 0.00 C ATOM 1093 CG ASP A 76 15.098 -6.375 -0.910 1.00 0.00 C ATOM 1094 OD1 ASP A 76 15.749 -5.354 -0.598 1.00 0.00 O ATOM 1095 OD2 ASP A 76 15.542 -7.542 -0.963 1.00 0.00 O ATOM 0 H ASP A 76 13.307 -6.812 1.224 1.00 0.00 H new ATOM 0 HA ASP A 76 13.061 -4.327 -0.313 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.159 -7.156 -1.386 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.555 -5.666 -2.220 1.00 0.00 H new ATOM 1100 N SER A 77 10.840 -6.748 0.015 1.00 0.00 N ATOM 1101 CA SER A 77 9.445 -7.109 -0.165 1.00 0.00 C ATOM 1102 C SER A 77 8.675 -6.893 1.139 1.00 0.00 C ATOM 1103 O SER A 77 9.107 -7.341 2.200 1.00 0.00 O ATOM 1104 CB SER A 77 9.307 -8.561 -0.628 1.00 0.00 C ATOM 1105 OG SER A 77 10.045 -9.457 0.198 1.00 0.00 O ATOM 0 H SER A 77 11.386 -7.416 0.559 1.00 0.00 H new ATOM 0 HA SER A 77 9.024 -6.467 -0.939 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.255 -8.845 -0.621 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.654 -8.648 -1.658 1.00 0.00 H new ATOM 0 HG SER A 77 10.140 -9.073 1.094 1.00 0.00 H new ATOM 1111 N GLU A 78 7.549 -6.206 1.018 1.00 0.00 N ATOM 1112 CA GLU A 78 6.715 -5.924 2.174 1.00 0.00 C ATOM 1113 C GLU A 78 5.280 -6.388 1.919 1.00 0.00 C ATOM 1114 O GLU A 78 4.882 -6.584 0.772 1.00 0.00 O ATOM 1115 CB GLU A 78 6.756 -4.437 2.531 1.00 0.00 C ATOM 1116 CG GLU A 78 8.195 -3.919 2.556 1.00 0.00 C ATOM 1117 CD GLU A 78 9.060 -4.748 3.508 1.00 0.00 C ATOM 1118 OE1 GLU A 78 8.696 -4.804 4.702 1.00 0.00 O ATOM 1119 OE2 GLU A 78 10.066 -5.306 3.019 1.00 0.00 O ATOM 0 H GLU A 78 7.194 -5.836 0.136 1.00 0.00 H new ATOM 0 HA GLU A 78 7.109 -6.478 3.026 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.174 -3.869 1.805 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.292 -4.280 3.505 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.616 -3.956 1.551 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.204 -2.874 2.867 1.00 0.00 H new ATOM 1126 N VAL A 79 4.541 -6.549 3.007 1.00 0.00 N ATOM 1127 CA VAL A 79 3.158 -6.986 2.915 1.00 0.00 C ATOM 1128 C VAL A 79 2.351 -6.351 4.050 1.00 0.00 C ATOM 1129 O VAL A 79 2.878 -6.119 5.137 1.00 0.00 O ATOM 1130 CB VAL A 79 3.091 -8.514 2.917 1.00 0.00 C ATOM 1131 CG1 VAL A 79 3.703 -9.089 4.196 1.00 0.00 C ATOM 1132 CG2 VAL A 79 1.652 -9.000 2.731 1.00 0.00 C ATOM 0 H VAL A 79 4.874 -6.385 3.957 1.00 0.00 H new ATOM 0 HA VAL A 79 2.715 -6.656 1.976 1.00 0.00 H new ATOM 0 HB VAL A 79 3.679 -8.876 2.073 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.642 -10.177 4.171 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.747 -8.785 4.268 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.156 -8.715 5.061 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.633 -10.090 2.736 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.032 -8.622 3.544 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.265 -8.635 1.780 1.00 0.00 H new ATOM 1142 N TYR A 80 1.086 -6.088 3.757 1.00 0.00 N ATOM 1143 CA TYR A 80 0.201 -5.485 4.739 1.00 0.00 C ATOM 1144 C TYR A 80 -1.207 -6.076 4.645 1.00 0.00 C ATOM 1145 O TYR A 80 -1.827 -6.046 3.583 1.00 0.00 O ATOM 1146 CB TYR A 80 0.140 -3.996 4.393 1.00 0.00 C ATOM 1147 CG TYR A 80 -0.292 -3.103 5.558 1.00 0.00 C ATOM 1148 CD1 TYR A 80 -1.424 -3.415 6.283 1.00 0.00 C ATOM 1149 CD2 TYR A 80 0.451 -1.986 5.884 1.00 0.00 C ATOM 1150 CE1 TYR A 80 -1.830 -2.575 7.380 1.00 0.00 C ATOM 1151 CE2 TYR A 80 0.044 -1.146 6.981 1.00 0.00 C ATOM 1152 CZ TYR A 80 -1.077 -1.482 7.675 1.00 0.00 C ATOM 1153 OH TYR A 80 -1.461 -0.689 8.710 1.00 0.00 O ATOM 0 H TYR A 80 0.653 -6.281 2.854 1.00 0.00 H new ATOM 0 HA TYR A 80 0.569 -5.665 5.749 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.122 -3.674 4.046 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -0.553 -3.854 3.564 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -2.005 -4.289 6.028 1.00 0.00 H new ATOM 0 HD2 TYR A 80 1.337 -1.742 5.317 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.713 -2.808 7.956 1.00 0.00 H new ATOM 0 HE2 TYR A 80 0.616 -0.269 7.247 1.00 0.00 H new ATOM 0 HH TYR A 80 -0.829 0.053 8.805 1.00 0.00 H new ATOM 1163 N THR A 81 -1.671 -6.600 5.770 1.00 0.00 N ATOM 1164 CA THR A 81 -2.994 -7.197 5.828 1.00 0.00 C ATOM 1165 C THR A 81 -4.037 -6.146 6.214 1.00 0.00 C ATOM 1166 O THR A 81 -4.232 -5.865 7.396 1.00 0.00 O ATOM 1167 CB THR A 81 -2.937 -8.381 6.795 1.00 0.00 C ATOM 1168 OG1 THR A 81 -2.277 -9.403 6.054 1.00 0.00 O ATOM 1169 CG2 THR A 81 -4.320 -8.966 7.087 1.00 0.00 C ATOM 0 H THR A 81 -1.154 -6.623 6.649 1.00 0.00 H new ATOM 0 HA THR A 81 -3.302 -7.571 4.852 1.00 0.00 H new ATOM 0 HB THR A 81 -2.473 -8.064 7.729 1.00 0.00 H new ATOM 0 HG1 THR A 81 -2.196 -10.208 6.607 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.222 -9.803 7.778 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.953 -8.199 7.533 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.772 -9.313 6.158 1.00 0.00 H new ATOM 1177 N LEU A 82 -4.680 -5.595 5.195 1.00 0.00 N ATOM 1178 CA LEU A 82 -5.699 -4.581 5.414 1.00 0.00 C ATOM 1179 C LEU A 82 -6.928 -5.229 6.054 1.00 0.00 C ATOM 1180 O LEU A 82 -7.677 -5.941 5.388 1.00 0.00 O ATOM 1181 CB LEU A 82 -6.003 -3.839 4.111 1.00 0.00 C ATOM 1182 CG LEU A 82 -4.887 -2.940 3.574 1.00 0.00 C ATOM 1183 CD1 LEU A 82 -3.525 -3.376 4.116 1.00 0.00 C ATOM 1184 CD2 LEU A 82 -4.908 -2.894 2.045 1.00 0.00 C ATOM 0 H LEU A 82 -4.516 -5.831 4.216 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.340 -3.823 6.110 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.249 -4.575 3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.893 -3.228 4.263 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.065 -1.925 3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.749 -2.721 3.719 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.530 -3.315 5.204 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.324 -4.403 3.811 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.105 -2.248 1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.767 -3.900 1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.867 -2.501 1.706 1.00 0.00 H new ATOM 1196 N ASP A 83 -7.097 -4.959 7.340 1.00 0.00 N ATOM 1197 CA ASP A 83 -8.222 -5.507 8.078 1.00 0.00 C ATOM 1198 C ASP A 83 -9.383 -4.511 8.043 1.00 0.00 C ATOM 1199 O ASP A 83 -9.272 -3.444 7.440 1.00 0.00 O ATOM 1200 CB ASP A 83 -7.854 -5.752 9.543 1.00 0.00 C ATOM 1201 CG ASP A 83 -6.946 -4.690 10.168 1.00 0.00 C ATOM 1202 OD1 ASP A 83 -7.386 -3.521 10.210 1.00 0.00 O ATOM 1203 OD2 ASP A 83 -5.832 -5.072 10.588 1.00 0.00 O ATOM 0 H ASP A 83 -6.474 -4.368 7.890 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.501 -6.453 7.613 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.772 -5.813 10.127 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.361 -6.721 9.621 1.00 0.00 H new ATOM 1208 N ASN A 84 -10.470 -4.894 8.697 1.00 0.00 N ATOM 1209 CA ASN A 84 -11.650 -4.048 8.748 1.00 0.00 C ATOM 1210 C ASN A 84 -12.212 -3.879 7.335 1.00 0.00 C ATOM 1211 O ASN A 84 -12.175 -2.784 6.775 1.00 0.00 O ATOM 1212 CB ASN A 84 -11.308 -2.658 9.290 1.00 0.00 C ATOM 1213 CG ASN A 84 -11.624 -2.560 10.784 1.00 0.00 C ATOM 1214 OD1 ASN A 84 -12.405 -3.321 11.331 1.00 0.00 O ATOM 1215 ND2 ASN A 84 -10.976 -1.583 11.411 1.00 0.00 N ATOM 0 H ASN A 84 -10.558 -5.779 9.196 1.00 0.00 H new ATOM 0 HA ASN A 84 -12.378 -4.523 9.406 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -10.251 -2.448 9.123 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -11.873 -1.902 8.745 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -11.119 -1.435 12.410 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -10.336 -0.981 10.893 1.00 0.00 H new ATOM 1222 N LEU A 85 -12.721 -4.979 6.799 1.00 0.00 N ATOM 1223 CA LEU A 85 -13.290 -4.966 5.463 1.00 0.00 C ATOM 1224 C LEU A 85 -14.694 -5.573 5.505 1.00 0.00 C ATOM 1225 O LEU A 85 -15.231 -5.828 6.582 1.00 0.00 O ATOM 1226 CB LEU A 85 -12.351 -5.658 4.473 1.00 0.00 C ATOM 1227 CG LEU A 85 -10.869 -5.296 4.590 1.00 0.00 C ATOM 1228 CD1 LEU A 85 -10.028 -6.098 3.595 1.00 0.00 C ATOM 1229 CD2 LEU A 85 -10.658 -3.789 4.435 1.00 0.00 C ATOM 0 H LEU A 85 -12.751 -5.885 7.266 1.00 0.00 H new ATOM 0 HA LEU A 85 -13.395 -3.942 5.105 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.452 -6.736 4.599 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.684 -5.423 3.462 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.530 -5.567 5.590 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.979 -5.821 3.699 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -10.144 -7.163 3.796 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.361 -5.882 2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.596 -3.559 4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.019 -3.470 3.457 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.208 -3.262 5.215 1.00 0.00 H new ATOM 1241 N LYS A 86 -15.248 -5.786 4.321 1.00 0.00 N ATOM 1242 CA LYS A 86 -16.579 -6.358 4.209 1.00 0.00 C ATOM 1243 C LYS A 86 -16.468 -7.805 3.724 1.00 0.00 C ATOM 1244 O LYS A 86 -15.437 -8.206 3.186 1.00 0.00 O ATOM 1245 CB LYS A 86 -17.467 -5.480 3.326 1.00 0.00 C ATOM 1246 CG LYS A 86 -18.442 -4.659 4.173 1.00 0.00 C ATOM 1247 CD LYS A 86 -19.726 -5.445 4.448 1.00 0.00 C ATOM 1248 CE LYS A 86 -20.790 -5.144 3.390 1.00 0.00 C ATOM 1249 NZ LYS A 86 -21.315 -6.401 2.812 1.00 0.00 N ATOM 0 H LYS A 86 -14.799 -5.573 3.430 1.00 0.00 H new ATOM 0 HA LYS A 86 -17.066 -6.384 5.184 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.846 -4.812 2.730 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -18.024 -6.105 2.628 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -17.969 -4.386 5.117 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -18.684 -3.730 3.657 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -19.508 -6.513 4.456 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -20.108 -5.190 5.436 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -21.605 -4.574 3.837 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -20.362 -4.525 2.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -22.036 -6.179 2.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -20.538 -6.930 2.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -21.741 -6.978 3.565 1.00 0.00 H new ATOM 1263 N LYS A 87 -17.544 -8.549 3.932 1.00 0.00 N ATOM 1264 CA LYS A 87 -17.581 -9.943 3.523 1.00 0.00 C ATOM 1265 C LYS A 87 -17.849 -10.021 2.019 1.00 0.00 C ATOM 1266 O LYS A 87 -18.721 -9.324 1.503 1.00 0.00 O ATOM 1267 CB LYS A 87 -18.590 -10.723 4.368 1.00 0.00 C ATOM 1268 CG LYS A 87 -18.226 -10.660 5.853 1.00 0.00 C ATOM 1269 CD LYS A 87 -19.438 -10.984 6.729 1.00 0.00 C ATOM 1270 CE LYS A 87 -19.596 -9.955 7.850 1.00 0.00 C ATOM 1271 NZ LYS A 87 -19.698 -10.631 9.163 1.00 0.00 N ATOM 0 H LYS A 87 -18.397 -8.213 4.379 1.00 0.00 H new ATOM 0 HA LYS A 87 -16.616 -10.418 3.701 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -19.589 -10.314 4.217 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -18.618 -11.762 4.040 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.422 -11.365 6.064 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -17.851 -9.666 6.097 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -20.340 -11.001 6.117 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -19.325 -11.980 7.158 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.745 -9.274 7.850 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -20.487 -9.351 7.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -19.805 -9.918 9.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -20.524 -11.262 9.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -18.837 -11.188 9.335 1.00 0.00 H new ATOM 1285 N PHE A 88 -17.082 -10.876 1.357 1.00 0.00 N ATOM 1286 CA PHE A 88 -17.225 -11.054 -0.078 1.00 0.00 C ATOM 1287 C PHE A 88 -17.546 -9.726 -0.766 1.00 0.00 C ATOM 1288 O PHE A 88 -18.614 -9.570 -1.355 1.00 0.00 O ATOM 1289 CB PHE A 88 -18.390 -12.022 -0.294 1.00 0.00 C ATOM 1290 CG PHE A 88 -18.583 -12.447 -1.751 1.00 0.00 C ATOM 1291 CD1 PHE A 88 -17.508 -12.807 -2.502 1.00 0.00 C ATOM 1292 CD2 PHE A 88 -19.830 -12.466 -2.295 1.00 0.00 C ATOM 1293 CE1 PHE A 88 -17.687 -13.202 -3.854 1.00 0.00 C ATOM 1294 CE2 PHE A 88 -20.009 -12.861 -3.647 1.00 0.00 C ATOM 1295 CZ PHE A 88 -18.934 -13.221 -4.398 1.00 0.00 C ATOM 0 H PHE A 88 -16.360 -11.453 1.788 1.00 0.00 H new ATOM 0 HA PHE A 88 -16.295 -11.435 -0.500 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -18.228 -12.911 0.315 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -19.308 -11.555 0.062 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -16.518 -12.792 -2.070 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -20.684 -12.181 -1.698 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -16.833 -13.487 -4.451 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -20.999 -12.876 -4.079 1.00 0.00 H new ATOM 0 HZ PHE A 88 -19.070 -13.522 -5.426 1.00 0.00 H new ATOM 1305 N ALA A 89 -16.601 -8.802 -0.669 1.00 0.00 N ATOM 1306 CA ALA A 89 -16.770 -7.492 -1.274 1.00 0.00 C ATOM 1307 C ALA A 89 -15.469 -7.086 -1.970 1.00 0.00 C ATOM 1308 O ALA A 89 -14.385 -7.247 -1.412 1.00 0.00 O ATOM 1309 CB ALA A 89 -17.198 -6.486 -0.204 1.00 0.00 C ATOM 0 H ALA A 89 -15.716 -8.935 -0.180 1.00 0.00 H new ATOM 0 HA ALA A 89 -17.555 -7.516 -2.030 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -17.325 -5.503 -0.658 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -18.141 -6.805 0.239 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -16.433 -6.432 0.571 1.00 0.00 H new ATOM 1315 N GLN A 90 -15.620 -6.567 -3.180 1.00 0.00 N ATOM 1316 CA GLN A 90 -14.471 -6.136 -3.958 1.00 0.00 C ATOM 1317 C GLN A 90 -13.912 -4.826 -3.398 1.00 0.00 C ATOM 1318 O GLN A 90 -14.657 -3.873 -3.177 1.00 0.00 O ATOM 1319 CB GLN A 90 -14.834 -5.989 -5.437 1.00 0.00 C ATOM 1320 CG GLN A 90 -13.613 -6.225 -6.328 1.00 0.00 C ATOM 1321 CD GLN A 90 -14.028 -6.780 -7.692 1.00 0.00 C ATOM 1322 OE1 GLN A 90 -14.007 -7.974 -7.938 1.00 0.00 O ATOM 1323 NE2 GLN A 90 -14.406 -5.848 -8.563 1.00 0.00 N ATOM 0 H GLN A 90 -16.521 -6.435 -3.640 1.00 0.00 H new ATOM 0 HA GLN A 90 -13.698 -6.901 -3.882 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -15.619 -6.700 -5.695 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -15.234 -4.992 -5.619 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -13.070 -5.289 -6.462 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.932 -6.922 -5.840 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -14.400 -4.865 -8.292 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -14.702 -6.117 -9.501 1.00 0.00 H new ATOM 1332 N TYR A 91 -12.604 -4.821 -3.186 1.00 0.00 N ATOM 1333 CA TYR A 91 -11.936 -3.645 -2.657 1.00 0.00 C ATOM 1334 C TYR A 91 -10.694 -3.301 -3.481 1.00 0.00 C ATOM 1335 O TYR A 91 -9.799 -4.131 -3.637 1.00 0.00 O ATOM 1336 CB TYR A 91 -11.505 -4.009 -1.234 1.00 0.00 C ATOM 1337 CG TYR A 91 -12.494 -3.569 -0.153 1.00 0.00 C ATOM 1338 CD1 TYR A 91 -12.435 -2.287 0.356 1.00 0.00 C ATOM 1339 CD2 TYR A 91 -13.443 -4.454 0.315 1.00 0.00 C ATOM 1340 CE1 TYR A 91 -13.366 -1.874 1.374 1.00 0.00 C ATOM 1341 CE2 TYR A 91 -14.374 -4.041 1.333 1.00 0.00 C ATOM 1342 CZ TYR A 91 -14.289 -2.771 1.812 1.00 0.00 C ATOM 1343 OH TYR A 91 -15.168 -2.380 2.774 1.00 0.00 O ATOM 0 H TYR A 91 -11.989 -5.613 -3.371 1.00 0.00 H new ATOM 0 HA TYR A 91 -12.601 -2.782 -2.685 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -11.370 -5.089 -1.171 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -10.535 -3.555 -1.032 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.691 -1.594 -0.009 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -13.488 -5.457 -0.082 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -13.332 -0.874 1.780 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -15.122 -4.724 1.707 1.00 0.00 H new ATOM 0 HH TYR A 91 -15.347 -1.421 2.683 1.00 0.00 H new ATOM 1353 N GLY A 92 -10.679 -2.077 -3.988 1.00 0.00 N ATOM 1354 CA GLY A 92 -9.562 -1.614 -4.793 1.00 0.00 C ATOM 1355 C GLY A 92 -8.574 -0.808 -3.947 1.00 0.00 C ATOM 1356 O GLY A 92 -8.838 0.344 -3.606 1.00 0.00 O ATOM 0 H GLY A 92 -11.423 -1.392 -3.857 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -9.052 -2.468 -5.239 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -9.931 -0.998 -5.613 1.00 0.00 H new ATOM 1360 N VAL A 93 -7.456 -1.445 -3.632 1.00 0.00 N ATOM 1361 CA VAL A 93 -6.427 -0.802 -2.833 1.00 0.00 C ATOM 1362 C VAL A 93 -5.193 -0.552 -3.702 1.00 0.00 C ATOM 1363 O VAL A 93 -4.998 -1.221 -4.716 1.00 0.00 O ATOM 1364 CB VAL A 93 -6.124 -1.646 -1.593 1.00 0.00 C ATOM 1365 CG1 VAL A 93 -6.547 -3.101 -1.804 1.00 0.00 C ATOM 1366 CG2 VAL A 93 -4.644 -1.554 -1.216 1.00 0.00 C ATOM 0 H VAL A 93 -7.240 -2.401 -3.916 1.00 0.00 H new ATOM 0 HA VAL A 93 -6.773 0.167 -2.474 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.706 -1.245 -0.764 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.321 -3.679 -0.908 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.618 -3.143 -2.002 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.004 -3.518 -2.652 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.455 -2.163 -0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.035 -1.917 -2.043 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.386 -0.516 -1.004 1.00 0.00 H new ATOM 1376 N VAL A 94 -4.393 0.413 -3.275 1.00 0.00 N ATOM 1377 CA VAL A 94 -3.183 0.760 -4.001 1.00 0.00 C ATOM 1378 C VAL A 94 -1.975 0.607 -3.075 1.00 0.00 C ATOM 1379 O VAL A 94 -2.126 0.258 -1.905 1.00 0.00 O ATOM 1380 CB VAL A 94 -3.311 2.166 -4.590 1.00 0.00 C ATOM 1381 CG1 VAL A 94 -4.322 2.190 -5.738 1.00 0.00 C ATOM 1382 CG2 VAL A 94 -3.686 3.181 -3.508 1.00 0.00 C ATOM 0 H VAL A 94 -4.559 0.966 -2.434 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.035 0.082 -4.842 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.339 2.450 -4.994 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.394 3.201 -6.139 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.995 1.510 -6.525 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.298 1.876 -5.370 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.771 4.172 -3.953 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.640 2.901 -3.061 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.915 3.194 -2.738 1.00 0.00 H new ATOM 1392 N VAL A 95 -0.804 0.875 -3.633 1.00 0.00 N ATOM 1393 CA VAL A 95 0.429 0.772 -2.872 1.00 0.00 C ATOM 1394 C VAL A 95 1.421 1.825 -3.370 1.00 0.00 C ATOM 1395 O VAL A 95 1.582 2.011 -4.576 1.00 0.00 O ATOM 1396 CB VAL A 95 0.979 -0.653 -2.957 1.00 0.00 C ATOM 1397 CG1 VAL A 95 2.161 -0.842 -2.005 1.00 0.00 C ATOM 1398 CG2 VAL A 95 -0.120 -1.681 -2.678 1.00 0.00 C ATOM 0 H VAL A 95 -0.683 1.164 -4.604 1.00 0.00 H new ATOM 0 HA VAL A 95 0.244 0.973 -1.817 1.00 0.00 H new ATOM 0 HB VAL A 95 1.339 -0.814 -3.973 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.533 -1.863 -2.085 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.956 -0.144 -2.269 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.838 -0.653 -0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.297 -2.686 -2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.523 -1.521 -1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.918 -1.569 -3.413 1.00 0.00 H new ATOM 1408 N GLN A 96 2.060 2.488 -2.417 1.00 0.00 N ATOM 1409 CA GLN A 96 3.031 3.518 -2.744 1.00 0.00 C ATOM 1410 C GLN A 96 4.131 3.566 -1.682 1.00 0.00 C ATOM 1411 O GLN A 96 3.857 3.422 -0.492 1.00 0.00 O ATOM 1412 CB GLN A 96 2.355 4.882 -2.896 1.00 0.00 C ATOM 1413 CG GLN A 96 1.195 5.031 -1.909 1.00 0.00 C ATOM 1414 CD GLN A 96 0.367 6.279 -2.221 1.00 0.00 C ATOM 1415 OE1 GLN A 96 -0.546 6.263 -3.031 1.00 0.00 O ATOM 1416 NE2 GLN A 96 0.734 7.358 -1.536 1.00 0.00 N ATOM 0 H GLN A 96 1.924 2.332 -1.418 1.00 0.00 H new ATOM 0 HA GLN A 96 3.488 3.268 -3.702 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.084 5.674 -2.728 1.00 0.00 H new ATOM 0 HB3 GLN A 96 1.987 4.998 -3.915 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.559 4.147 -1.954 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.583 5.093 -0.892 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.507 7.303 -0.873 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.242 8.241 -1.673 1.00 0.00 H new ATOM 1425 N ALA A 97 5.354 3.771 -2.151 1.00 0.00 N ATOM 1426 CA ALA A 97 6.496 3.840 -1.256 1.00 0.00 C ATOM 1427 C ALA A 97 6.723 5.294 -0.837 1.00 0.00 C ATOM 1428 O ALA A 97 6.980 6.153 -1.679 1.00 0.00 O ATOM 1429 CB ALA A 97 7.721 3.233 -1.943 1.00 0.00 C ATOM 0 H ALA A 97 5.578 3.891 -3.139 1.00 0.00 H new ATOM 0 HA ALA A 97 6.310 3.261 -0.351 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.578 3.285 -1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 97 7.519 2.192 -2.194 1.00 0.00 H new ATOM 0 HB3 ALA A 97 7.940 3.790 -2.854 1.00 0.00 H new ATOM 1435 N PHE A 98 6.621 5.525 0.463 1.00 0.00 N ATOM 1436 CA PHE A 98 6.811 6.861 1.004 1.00 0.00 C ATOM 1437 C PHE A 98 8.145 6.966 1.747 1.00 0.00 C ATOM 1438 O PHE A 98 8.453 6.131 2.596 1.00 0.00 O ATOM 1439 CB PHE A 98 5.669 7.111 1.991 1.00 0.00 C ATOM 1440 CG PHE A 98 5.862 6.435 3.349 1.00 0.00 C ATOM 1441 CD1 PHE A 98 6.727 6.963 4.256 1.00 0.00 C ATOM 1442 CD2 PHE A 98 5.167 5.305 3.651 1.00 0.00 C ATOM 1443 CE1 PHE A 98 6.905 6.336 5.517 1.00 0.00 C ATOM 1444 CE2 PHE A 98 5.345 4.677 4.912 1.00 0.00 C ATOM 1445 CZ PHE A 98 6.210 5.206 5.819 1.00 0.00 C ATOM 0 H PHE A 98 6.409 4.810 1.159 1.00 0.00 H new ATOM 0 HA PHE A 98 6.817 7.593 0.196 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.562 8.185 2.143 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.737 6.758 1.550 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.279 7.860 4.017 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.480 4.886 2.931 1.00 0.00 H new ATOM 0 HE1 PHE A 98 7.592 6.756 6.237 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.794 3.780 5.151 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.345 4.729 6.779 1.00 0.00 H new ATOM 1455 N ASN A 99 8.899 7.999 1.401 1.00 0.00 N ATOM 1456 CA ASN A 99 10.191 8.224 2.025 1.00 0.00 C ATOM 1457 C ASN A 99 10.226 9.631 2.623 1.00 0.00 C ATOM 1458 O ASN A 99 9.389 10.470 2.294 1.00 0.00 O ATOM 1459 CB ASN A 99 11.323 8.117 1.001 1.00 0.00 C ATOM 1460 CG ASN A 99 11.002 7.068 -0.065 1.00 0.00 C ATOM 1461 OD1 ASN A 99 10.131 6.229 0.096 1.00 0.00 O ATOM 1462 ND2 ASN A 99 11.751 7.161 -1.159 1.00 0.00 N ATOM 0 H ASN A 99 8.640 8.689 0.696 1.00 0.00 H new ATOM 0 HA ASN A 99 10.329 7.466 2.796 1.00 0.00 H new ATOM 0 HB2 ASN A 99 11.482 9.086 0.527 1.00 0.00 H new ATOM 0 HB3 ASN A 99 12.252 7.854 1.507 1.00 0.00 H new ATOM 0 HD21 ASN A 99 11.613 6.506 -1.928 1.00 0.00 H new ATOM 0 HD22 ASN A 99 12.463 7.888 -1.229 1.00 0.00 H new ATOM 1469 N ARG A 100 11.203 9.847 3.492 1.00 0.00 N ATOM 1470 CA ARG A 100 11.357 11.139 4.139 1.00 0.00 C ATOM 1471 C ARG A 100 11.477 12.247 3.091 1.00 0.00 C ATOM 1472 O ARG A 100 11.163 13.404 3.366 1.00 0.00 O ATOM 1473 CB ARG A 100 12.596 11.160 5.037 1.00 0.00 C ATOM 1474 CG ARG A 100 13.873 10.985 4.214 1.00 0.00 C ATOM 1475 CD ARG A 100 14.626 12.310 4.081 1.00 0.00 C ATOM 1476 NE ARG A 100 15.965 12.196 4.702 1.00 0.00 N ATOM 1477 CZ ARG A 100 16.205 12.375 6.008 1.00 0.00 C ATOM 1478 NH1 ARG A 100 15.198 12.676 6.839 1.00 0.00 N ATOM 1479 NH2 ARG A 100 17.452 12.252 6.483 1.00 0.00 N ATOM 0 H ARG A 100 11.896 9.149 3.763 1.00 0.00 H new ATOM 0 HA ARG A 100 10.473 11.310 4.753 1.00 0.00 H new ATOM 0 HB2 ARG A 100 12.638 12.102 5.583 1.00 0.00 H new ATOM 0 HB3 ARG A 100 12.525 10.364 5.779 1.00 0.00 H new ATOM 0 HG2 ARG A 100 14.516 10.243 4.687 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.622 10.604 3.224 1.00 0.00 H new ATOM 0 HD2 ARG A 100 14.726 12.577 3.029 1.00 0.00 H new ATOM 0 HD3 ARG A 100 14.060 13.109 4.561 1.00 0.00 H new ATOM 0 HE ARG A 100 16.754 11.967 4.098 1.00 0.00 H new ATOM 0 HH11 ARG A 100 14.249 12.769 6.477 1.00 0.00 H new ATOM 0 HH12 ARG A 100 15.381 12.812 7.833 1.00 0.00 H new ATOM 0 HH21 ARG A 100 18.218 12.022 5.850 1.00 0.00 H new ATOM 0 HH22 ARG A 100 17.635 12.388 7.477 1.00 0.00 H new ATOM 1493 N ALA A 101 11.933 11.854 1.910 1.00 0.00 N ATOM 1494 CA ALA A 101 12.098 12.799 0.819 1.00 0.00 C ATOM 1495 C ALA A 101 10.725 13.160 0.250 1.00 0.00 C ATOM 1496 O ALA A 101 10.573 14.185 -0.413 1.00 0.00 O ATOM 1497 CB ALA A 101 13.029 12.202 -0.238 1.00 0.00 C ATOM 0 H ALA A 101 12.193 10.894 1.685 1.00 0.00 H new ATOM 0 HA ALA A 101 12.559 13.720 1.176 1.00 0.00 H new ATOM 0 HB1 ALA A 101 13.153 12.911 -1.056 1.00 0.00 H new ATOM 0 HB2 ALA A 101 14.000 11.992 0.210 1.00 0.00 H new ATOM 0 HB3 ALA A 101 12.598 11.277 -0.621 1.00 0.00 H new ATOM 1503 N GLY A 102 9.759 12.298 0.530 1.00 0.00 N ATOM 1504 CA GLY A 102 8.403 12.513 0.054 1.00 0.00 C ATOM 1505 C GLY A 102 7.698 11.181 -0.214 1.00 0.00 C ATOM 1506 O GLY A 102 8.180 10.126 0.197 1.00 0.00 O ATOM 0 H GLY A 102 9.888 11.449 1.081 1.00 0.00 H new ATOM 0 HA2 GLY A 102 7.841 13.084 0.793 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.424 13.107 -0.859 1.00 0.00 H new ATOM 1510 N THR A 103 6.569 11.274 -0.901 1.00 0.00 N ATOM 1511 CA THR A 103 5.794 10.089 -1.229 1.00 0.00 C ATOM 1512 C THR A 103 5.777 9.865 -2.742 1.00 0.00 C ATOM 1513 O THR A 103 5.716 10.820 -3.514 1.00 0.00 O ATOM 1514 CB THR A 103 4.398 10.256 -0.624 1.00 0.00 C ATOM 1515 OG1 THR A 103 4.644 10.786 0.676 1.00 0.00 O ATOM 1516 CG2 THR A 103 3.713 8.914 -0.355 1.00 0.00 C ATOM 0 H THR A 103 6.172 12.151 -1.239 1.00 0.00 H new ATOM 0 HA THR A 103 6.244 9.192 -0.804 1.00 0.00 H new ATOM 0 HB THR A 103 3.780 10.852 -1.296 1.00 0.00 H new ATOM 0 HG1 THR A 103 3.792 10.927 1.139 1.00 0.00 H new ATOM 0 HG21 THR A 103 2.726 9.089 0.074 1.00 0.00 H new ATOM 0 HG22 THR A 103 3.610 8.364 -1.290 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.314 8.332 0.344 1.00 0.00 H new ATOM 1524 N GLY A 104 5.832 8.596 -3.120 1.00 0.00 N ATOM 1525 CA GLY A 104 5.824 8.234 -4.528 1.00 0.00 C ATOM 1526 C GLY A 104 4.404 7.923 -5.006 1.00 0.00 C ATOM 1527 O GLY A 104 3.465 7.917 -4.211 1.00 0.00 O ATOM 0 H GLY A 104 5.882 7.806 -2.477 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.240 9.050 -5.119 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.464 7.366 -4.688 1.00 0.00 H new ATOM 1531 N PRO A 105 4.289 7.666 -6.336 1.00 0.00 N ATOM 1532 CA PRO A 105 3.000 7.355 -6.930 1.00 0.00 C ATOM 1533 C PRO A 105 2.565 5.930 -6.581 1.00 0.00 C ATOM 1534 O PRO A 105 3.403 5.067 -6.324 1.00 0.00 O ATOM 1535 CB PRO A 105 3.191 7.570 -8.422 1.00 0.00 C ATOM 1536 CG PRO A 105 4.693 7.541 -8.658 1.00 0.00 C ATOM 1537 CD PRO A 105 5.379 7.665 -7.307 1.00 0.00 C ATOM 0 HA PRO A 105 2.198 7.988 -6.550 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.690 6.791 -8.996 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.764 8.522 -8.737 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.984 6.613 -9.150 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.992 8.358 -9.315 1.00 0.00 H new ATOM 0 HD2 PRO A 105 6.064 6.835 -7.133 1.00 0.00 H new ATOM 0 HD3 PRO A 105 5.966 8.581 -7.244 1.00 0.00 H new ATOM 1545 N SER A 106 1.256 5.727 -6.584 1.00 0.00 N ATOM 1546 CA SER A 106 0.700 4.422 -6.272 1.00 0.00 C ATOM 1547 C SER A 106 0.681 3.547 -7.527 1.00 0.00 C ATOM 1548 O SER A 106 0.890 4.040 -8.635 1.00 0.00 O ATOM 1549 CB SER A 106 -0.710 4.548 -5.692 1.00 0.00 C ATOM 1550 OG SER A 106 -0.791 4.030 -4.367 1.00 0.00 O ATOM 0 H SER A 106 0.564 6.445 -6.798 1.00 0.00 H new ATOM 0 HA SER A 106 1.333 3.952 -5.519 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.009 5.596 -5.690 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.414 4.017 -6.332 1.00 0.00 H new ATOM 0 HG SER A 106 -1.109 4.731 -3.760 1.00 0.00 H new ATOM 1556 N SER A 107 0.430 2.264 -7.312 1.00 0.00 N ATOM 1557 CA SER A 107 0.381 1.316 -8.412 1.00 0.00 C ATOM 1558 C SER A 107 -1.057 1.166 -8.911 1.00 0.00 C ATOM 1559 O SER A 107 -1.991 1.667 -8.285 1.00 0.00 O ATOM 1560 CB SER A 107 0.941 -0.044 -7.992 1.00 0.00 C ATOM 1561 OG SER A 107 1.023 -0.174 -6.575 1.00 0.00 O ATOM 0 H SER A 107 0.258 1.859 -6.392 1.00 0.00 H new ATOM 0 HA SER A 107 1.001 1.700 -9.222 1.00 0.00 H new ATOM 0 HB2 SER A 107 0.308 -0.836 -8.393 1.00 0.00 H new ATOM 0 HB3 SER A 107 1.932 -0.178 -8.426 1.00 0.00 H new ATOM 0 HG SER A 107 0.120 -0.237 -6.199 1.00 0.00 H new ATOM 1567 N SER A 108 -1.192 0.476 -10.034 1.00 0.00 N ATOM 1568 CA SER A 108 -2.501 0.254 -10.624 1.00 0.00 C ATOM 1569 C SER A 108 -3.409 -0.467 -9.626 1.00 0.00 C ATOM 1570 O SER A 108 -3.149 -1.611 -9.258 1.00 0.00 O ATOM 1571 CB SER A 108 -2.391 -0.552 -11.920 1.00 0.00 C ATOM 1572 OG SER A 108 -1.044 -0.913 -12.212 1.00 0.00 O ATOM 0 H SER A 108 -0.416 0.063 -10.551 1.00 0.00 H new ATOM 0 HA SER A 108 -2.936 1.224 -10.867 1.00 0.00 H new ATOM 0 HB2 SER A 108 -2.998 -1.453 -11.839 1.00 0.00 H new ATOM 0 HB3 SER A 108 -2.797 0.032 -12.746 1.00 0.00 H new ATOM 0 HG SER A 108 -0.551 -0.121 -12.514 1.00 0.00 H new ATOM 1578 N GLU A 109 -4.457 0.233 -9.216 1.00 0.00 N ATOM 1579 CA GLU A 109 -5.406 -0.326 -8.268 1.00 0.00 C ATOM 1580 C GLU A 109 -6.006 -1.621 -8.818 1.00 0.00 C ATOM 1581 O GLU A 109 -6.474 -1.659 -9.955 1.00 0.00 O ATOM 1582 CB GLU A 109 -6.503 0.686 -7.929 1.00 0.00 C ATOM 1583 CG GLU A 109 -7.528 0.082 -6.967 1.00 0.00 C ATOM 1584 CD GLU A 109 -8.953 0.459 -7.376 1.00 0.00 C ATOM 1585 OE1 GLU A 109 -9.424 -0.111 -8.384 1.00 0.00 O ATOM 1586 OE2 GLU A 109 -9.539 1.309 -6.672 1.00 0.00 O ATOM 0 H GLU A 109 -4.670 1.182 -9.523 1.00 0.00 H new ATOM 0 HA GLU A 109 -4.874 -0.558 -7.346 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -6.058 1.574 -7.481 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -7.002 1.007 -8.843 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -7.425 -1.003 -6.954 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -7.332 0.433 -5.954 1.00 0.00 H new ATOM 1593 N ILE A 110 -5.972 -2.652 -7.986 1.00 0.00 N ATOM 1594 CA ILE A 110 -6.507 -3.945 -8.375 1.00 0.00 C ATOM 1595 C ILE A 110 -7.855 -4.164 -7.685 1.00 0.00 C ATOM 1596 O ILE A 110 -8.474 -3.214 -7.208 1.00 0.00 O ATOM 1597 CB ILE A 110 -5.487 -5.052 -8.097 1.00 0.00 C ATOM 1598 CG1 ILE A 110 -4.058 -4.509 -8.159 1.00 0.00 C ATOM 1599 CG2 ILE A 110 -5.692 -6.236 -9.044 1.00 0.00 C ATOM 1600 CD1 ILE A 110 -3.359 -4.651 -6.806 1.00 0.00 C ATOM 0 H ILE A 110 -5.582 -2.618 -7.044 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.690 -3.974 -9.449 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.648 -5.419 -7.083 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -3.494 -5.046 -8.922 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -4.076 -3.460 -8.455 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.955 -7.009 -8.826 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -6.694 -6.642 -8.907 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -5.573 -5.902 -10.075 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -2.345 -4.258 -6.877 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -3.912 -4.093 -6.050 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -3.321 -5.703 -6.525 1.00 0.00 H new ATOM 1612 N ASN A 111 -8.270 -5.422 -7.653 1.00 0.00 N ATOM 1613 CA ASN A 111 -9.534 -5.777 -7.029 1.00 0.00 C ATOM 1614 C ASN A 111 -9.462 -7.221 -6.529 1.00 0.00 C ATOM 1615 O ASN A 111 -8.910 -8.089 -7.204 1.00 0.00 O ATOM 1616 CB ASN A 111 -10.688 -5.679 -8.028 1.00 0.00 C ATOM 1617 CG ASN A 111 -10.947 -4.225 -8.426 1.00 0.00 C ATOM 1618 OD1 ASN A 111 -11.010 -3.330 -7.599 1.00 0.00 O ATOM 1619 ND2 ASN A 111 -11.094 -4.040 -9.735 1.00 0.00 N ATOM 0 H ASN A 111 -7.754 -6.208 -8.049 1.00 0.00 H new ATOM 0 HA ASN A 111 -9.711 -5.085 -6.206 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -10.456 -6.267 -8.916 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -11.590 -6.106 -7.590 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -11.271 -3.105 -10.101 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -11.029 -4.834 -10.373 1.00 0.00 H new ATOM 1626 N ALA A 112 -10.028 -7.434 -5.350 1.00 0.00 N ATOM 1627 CA ALA A 112 -10.035 -8.759 -4.752 1.00 0.00 C ATOM 1628 C ALA A 112 -11.200 -8.861 -3.765 1.00 0.00 C ATOM 1629 O ALA A 112 -11.086 -8.435 -2.617 1.00 0.00 O ATOM 1630 CB ALA A 112 -8.683 -9.026 -4.088 1.00 0.00 C ATOM 0 H ALA A 112 -10.485 -6.712 -4.793 1.00 0.00 H new ATOM 0 HA ALA A 112 -10.180 -9.524 -5.514 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -8.688 -10.019 -3.639 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -7.893 -8.970 -4.836 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.504 -8.279 -3.314 1.00 0.00 H new ATOM 1636 N THR A 113 -12.295 -9.429 -4.249 1.00 0.00 N ATOM 1637 CA THR A 113 -13.480 -9.594 -3.424 1.00 0.00 C ATOM 1638 C THR A 113 -13.216 -10.604 -2.306 1.00 0.00 C ATOM 1639 O THR A 113 -12.839 -11.744 -2.571 1.00 0.00 O ATOM 1640 CB THR A 113 -14.642 -9.989 -4.338 1.00 0.00 C ATOM 1641 OG1 THR A 113 -14.890 -8.818 -5.111 1.00 0.00 O ATOM 1642 CG2 THR A 113 -15.945 -10.210 -3.567 1.00 0.00 C ATOM 0 H THR A 113 -12.387 -9.781 -5.202 1.00 0.00 H new ATOM 0 HA THR A 113 -13.744 -8.663 -2.922 1.00 0.00 H new ATOM 0 HB THR A 113 -14.383 -10.898 -4.881 1.00 0.00 H new ATOM 0 HG1 THR A 113 -14.441 -8.897 -5.978 1.00 0.00 H new ATOM 0 HG21 THR A 113 -16.737 -10.488 -4.263 1.00 0.00 H new ATOM 0 HG22 THR A 113 -15.806 -11.008 -2.838 1.00 0.00 H new ATOM 0 HG23 THR A 113 -16.222 -9.291 -3.050 1.00 0.00 H new ATOM 1650 N THR A 114 -13.424 -10.148 -1.079 1.00 0.00 N ATOM 1651 CA THR A 114 -13.212 -10.998 0.080 1.00 0.00 C ATOM 1652 C THR A 114 -13.930 -12.337 -0.102 1.00 0.00 C ATOM 1653 O THR A 114 -14.540 -12.582 -1.142 1.00 0.00 O ATOM 1654 CB THR A 114 -13.669 -10.228 1.321 1.00 0.00 C ATOM 1655 OG1 THR A 114 -14.875 -9.590 0.909 1.00 0.00 O ATOM 1656 CG2 THR A 114 -12.733 -9.068 1.667 1.00 0.00 C ATOM 0 H THR A 114 -13.737 -9.202 -0.863 1.00 0.00 H new ATOM 0 HA THR A 114 -12.157 -11.244 0.202 1.00 0.00 H new ATOM 0 HB THR A 114 -13.731 -10.910 2.169 1.00 0.00 H new ATOM 0 HG1 THR A 114 -14.832 -8.636 1.128 1.00 0.00 H new ATOM 0 HG21 THR A 114 -13.102 -8.555 2.555 1.00 0.00 H new ATOM 0 HG22 THR A 114 -11.732 -9.454 1.861 1.00 0.00 H new ATOM 0 HG23 THR A 114 -12.697 -8.368 0.832 1.00 0.00 H new ATOM 1664 N LEU A 115 -13.834 -13.168 0.925 1.00 0.00 N ATOM 1665 CA LEU A 115 -14.467 -14.476 0.892 1.00 0.00 C ATOM 1666 C LEU A 115 -15.937 -14.337 1.291 1.00 0.00 C ATOM 1667 O LEU A 115 -16.381 -13.255 1.672 1.00 0.00 O ATOM 1668 CB LEU A 115 -13.687 -15.471 1.754 1.00 0.00 C ATOM 1669 CG LEU A 115 -12.211 -15.656 1.396 1.00 0.00 C ATOM 1670 CD1 LEU A 115 -11.962 -15.341 -0.081 1.00 0.00 C ATOM 1671 CD2 LEU A 115 -11.314 -14.828 2.318 1.00 0.00 C ATOM 0 H LEU A 115 -13.327 -12.961 1.786 1.00 0.00 H new ATOM 0 HA LEU A 115 -14.448 -14.883 -0.119 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -13.751 -15.149 2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -14.180 -16.441 1.690 1.00 0.00 H new ATOM 0 HG LEU A 115 -11.951 -16.703 1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -10.905 -15.480 -0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -12.559 -16.010 -0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -12.244 -14.308 -0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -10.270 -14.978 2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -11.567 -13.772 2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.464 -15.143 3.351 1.00 0.00 H new