USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 817 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 64 HIS :FLIP no HD1:sc= -0.291 F(o=-2.3,f=-1.8) USER MOD Set 1.2: A 68 GLN : amide:sc= -1.47 X(o=-1.8,f=-2) USER MOD Set 2.1: A 25 ASN :FLIP amide:sc= -0.631 F(o=-2.1,f=-1.1) USER MOD Set 2.2: A 60 LYS NZ :NH3+ -126:sc= -0.458 (180deg=-0.00482) USER MOD Set 3.1: A 23 TYR OH : rot -8:sc= 0.21 USER MOD Set 3.2: A 46 HIS : no HE2:sc= -2.46! K(o=-2.2!,f=-4.1) USER MOD Set 4.1: A 30 ASN :FLIP amide:sc= -0.225 F(o=-2.1!,f=0.2) USER MOD Set 4.2: A 33 THR OG1 : rot -1:sc= 0.42 USER MOD Single : A 16 CYS SG : rot -162:sc= 0.217 USER MOD Single : A 17 GLN : amide:sc= 1.12 K(o=1.1,f=-1.6) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -75:sc= 0.807 USER MOD Single : A 27 ASN : amide:sc= -3.56! C(o=-3.6!,f=-4!) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.205 USER MOD Single : A 34 SER OG : rot 79:sc= -0.219 USER MOD Single : A 42 ASN : amide:sc= -0.321 K(o=-0.32,f=-2.8!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS :FLIP no HE2:sc= -4.39! C(o=-8.7!,f=-4.4!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.485 K(o=-0.48,f=-5.9!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0.169 X(o=0.17,f=-0.3) USER MOD Single : A 69 ASN :FLIP amide:sc= -0.362 F(o=-1.8,f=-0.36) USER MOD Single : A 72 ASN :FLIP amide:sc= -1.41 F(o=-2.3!,f=-1.4) USER MOD Single : A 76 LYS NZ :NH3+ -124:sc= -0.836 (180deg=-2.73!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -150:sc= -0.136 (180deg=-1.03) USER MOD Single : A 90 ASN : amide:sc= -1.59! C(o=-1.6!,f=-5.3!) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= -0.0443 USER MOD Single : A 101 THR OG1 : rot 86:sc= 0.485 USER MOD Single : A 102 TYR OH : rot 100:sc= -0.216 USER MOD Single : A 105 THR OG1 : rot -81:sc= 1.17 USER MOD Single : A 106 TYR OH : rot 180:sc= -0.372 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= -0.06 X(o=-0.06,f=-0.13) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 98 N ASP A 10 12.690 7.483 -1.330 1.00 0.00 N ATOM 99 CA ASP A 10 12.261 7.632 -2.716 1.00 0.00 C ATOM 100 C ASP A 10 12.037 6.271 -3.366 1.00 0.00 C ATOM 101 O ASP A 10 11.002 6.031 -3.986 1.00 0.00 O ATOM 102 CB ASP A 10 13.300 8.427 -3.510 1.00 0.00 C ATOM 103 CG ASP A 10 12.866 8.679 -4.940 1.00 0.00 C ATOM 104 OD1 ASP A 10 12.413 7.721 -5.601 1.00 0.00 O ATOM 105 OD2 ASP A 10 12.979 9.835 -5.400 1.00 0.00 O ATOM 0 HA ASP A 10 11.316 8.176 -2.722 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.480 9.381 -3.014 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.246 7.885 -3.510 1.00 0.00 H new ATOM 110 N ALA A 11 13.016 5.383 -3.219 1.00 0.00 N ATOM 111 CA ALA A 11 12.925 4.045 -3.791 1.00 0.00 C ATOM 112 C ALA A 11 11.515 3.481 -3.645 1.00 0.00 C ATOM 113 O ALA A 11 10.925 3.000 -4.614 1.00 0.00 O ATOM 114 CB ALA A 11 13.936 3.120 -3.131 1.00 0.00 C ATOM 0 H ALA A 11 13.880 5.566 -2.709 1.00 0.00 H new ATOM 0 HA ALA A 11 13.152 4.114 -4.855 1.00 0.00 H new ATOM 0 HB1 ALA A 11 13.857 2.124 -3.567 1.00 0.00 H new ATOM 0 HB2 ALA A 11 14.942 3.508 -3.291 1.00 0.00 H new ATOM 0 HB3 ALA A 11 13.734 3.064 -2.061 1.00 0.00 H new ATOM 120 N LEU A 12 10.982 3.540 -2.430 1.00 0.00 N ATOM 121 CA LEU A 12 9.641 3.033 -2.158 1.00 0.00 C ATOM 122 C LEU A 12 8.586 3.885 -2.853 1.00 0.00 C ATOM 123 O LEU A 12 7.754 3.373 -3.605 1.00 0.00 O ATOM 124 CB LEU A 12 9.381 3.008 -0.651 1.00 0.00 C ATOM 125 CG LEU A 12 8.076 2.347 -0.205 1.00 0.00 C ATOM 126 CD1 LEU A 12 8.156 0.838 -0.379 1.00 0.00 C ATOM 127 CD2 LEU A 12 7.763 2.704 1.241 1.00 0.00 C ATOM 0 H LEU A 12 11.457 3.933 -1.618 1.00 0.00 H new ATOM 0 HA LEU A 12 9.576 2.018 -2.549 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.210 2.491 -0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.389 4.034 -0.284 1.00 0.00 H new ATOM 0 HG LEU A 12 7.268 2.722 -0.833 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.219 0.384 -0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.332 0.602 -1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.975 0.445 0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.831 2.225 1.541 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.572 2.358 1.884 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.661 3.785 1.335 1.00 0.00 H new ATOM 139 N LEU A 13 8.625 5.189 -2.602 1.00 0.00 N ATOM 140 CA LEU A 13 7.672 6.114 -3.207 1.00 0.00 C ATOM 141 C LEU A 13 7.513 5.835 -4.698 1.00 0.00 C ATOM 142 O LEU A 13 6.399 5.830 -5.224 1.00 0.00 O ATOM 143 CB LEU A 13 8.128 7.558 -2.993 1.00 0.00 C ATOM 144 CG LEU A 13 7.326 8.632 -3.731 1.00 0.00 C ATOM 145 CD1 LEU A 13 5.946 8.786 -3.111 1.00 0.00 C ATOM 146 CD2 LEU A 13 8.070 9.959 -3.715 1.00 0.00 C ATOM 0 H LEU A 13 9.306 5.630 -1.984 1.00 0.00 H new ATOM 0 HA LEU A 13 6.706 5.969 -2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.091 7.775 -1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.171 7.638 -3.299 1.00 0.00 H new ATOM 0 HG LEU A 13 7.204 8.319 -4.768 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.389 9.554 -3.648 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.411 7.839 -3.174 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.047 9.076 -2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.485 10.711 -4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.223 10.278 -2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.036 9.840 -4.205 1.00 0.00 H new ATOM 158 N LEU A 14 8.633 5.600 -5.373 1.00 0.00 N ATOM 159 CA LEU A 14 8.618 5.316 -6.804 1.00 0.00 C ATOM 160 C LEU A 14 7.851 4.030 -7.097 1.00 0.00 C ATOM 161 O LEU A 14 7.065 3.966 -8.041 1.00 0.00 O ATOM 162 CB LEU A 14 10.047 5.204 -7.336 1.00 0.00 C ATOM 163 CG LEU A 14 10.199 4.596 -8.731 1.00 0.00 C ATOM 164 CD1 LEU A 14 9.621 5.528 -9.785 1.00 0.00 C ATOM 165 CD2 LEU A 14 11.661 4.295 -9.027 1.00 0.00 C ATOM 0 H LEU A 14 9.562 5.600 -4.953 1.00 0.00 H new ATOM 0 HA LEU A 14 8.113 6.140 -7.308 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.489 6.200 -7.346 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.628 4.605 -6.635 1.00 0.00 H new ATOM 0 HG LEU A 14 9.644 3.659 -8.760 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.738 5.079 -10.771 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.562 5.692 -9.584 1.00 0.00 H new ATOM 0 HD13 LEU A 14 10.148 6.482 -9.756 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.749 3.863 -10.024 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.239 5.218 -8.979 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.043 3.588 -8.290 1.00 0.00 H new ATOM 177 N TRP A 15 8.086 3.010 -6.280 1.00 0.00 N ATOM 178 CA TRP A 15 7.414 1.726 -6.450 1.00 0.00 C ATOM 179 C TRP A 15 5.901 1.902 -6.483 1.00 0.00 C ATOM 180 O TRP A 15 5.252 1.577 -7.478 1.00 0.00 O ATOM 181 CB TRP A 15 7.804 0.771 -5.320 1.00 0.00 C ATOM 182 CG TRP A 15 7.352 -0.639 -5.552 1.00 0.00 C ATOM 183 CD1 TRP A 15 7.899 -1.543 -6.418 1.00 0.00 C ATOM 184 CD2 TRP A 15 6.259 -1.306 -4.910 1.00 0.00 C ATOM 185 NE1 TRP A 15 7.212 -2.731 -6.354 1.00 0.00 N ATOM 186 CE2 TRP A 15 6.202 -2.612 -5.436 1.00 0.00 C ATOM 187 CE3 TRP A 15 5.325 -0.927 -3.942 1.00 0.00 C ATOM 188 CZ2 TRP A 15 5.246 -3.538 -5.025 1.00 0.00 C ATOM 189 CZ3 TRP A 15 4.377 -1.847 -3.536 1.00 0.00 C ATOM 190 CH2 TRP A 15 4.344 -3.140 -4.076 1.00 0.00 C ATOM 0 H TRP A 15 8.736 3.046 -5.494 1.00 0.00 H new ATOM 0 HA TRP A 15 7.731 1.302 -7.403 1.00 0.00 H new ATOM 0 HB2 TRP A 15 8.887 0.783 -5.202 1.00 0.00 H new ATOM 0 HB3 TRP A 15 7.377 1.133 -4.385 1.00 0.00 H new ATOM 0 HD1 TRP A 15 8.747 -1.352 -7.059 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.420 -3.566 -6.901 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.344 0.067 -3.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 5.218 -4.534 -5.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 3.649 -1.565 -2.790 1.00 0.00 H new ATOM 0 HH2 TRP A 15 3.592 -3.836 -3.736 1.00 0.00 H new ATOM 201 N CYS A 16 5.345 2.419 -5.394 1.00 0.00 N ATOM 202 CA CYS A 16 3.906 2.638 -5.299 1.00 0.00 C ATOM 203 C CYS A 16 3.385 3.365 -6.535 1.00 0.00 C ATOM 204 O CYS A 16 2.281 3.093 -7.006 1.00 0.00 O ATOM 205 CB CYS A 16 3.573 3.441 -4.041 1.00 0.00 C ATOM 206 SG CYS A 16 4.321 2.789 -2.530 1.00 0.00 S ATOM 0 H CYS A 16 5.869 2.695 -4.563 1.00 0.00 H new ATOM 0 HA CYS A 16 3.418 1.665 -5.239 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.903 4.470 -4.182 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.491 3.467 -3.916 1.00 0.00 H new ATOM 0 HG CYS A 16 3.707 3.281 -1.495 1.00 0.00 H new ATOM 212 N GLN A 17 4.186 4.292 -7.052 1.00 0.00 N ATOM 213 CA GLN A 17 3.804 5.060 -8.230 1.00 0.00 C ATOM 214 C GLN A 17 3.714 4.162 -9.459 1.00 0.00 C ATOM 215 O GLN A 17 2.894 4.391 -10.348 1.00 0.00 O ATOM 216 CB GLN A 17 4.809 6.186 -8.479 1.00 0.00 C ATOM 217 CG GLN A 17 4.574 7.413 -7.615 1.00 0.00 C ATOM 218 CD GLN A 17 5.389 8.609 -8.066 1.00 0.00 C ATOM 219 OE1 GLN A 17 5.963 8.610 -9.154 1.00 0.00 O ATOM 220 NE2 GLN A 17 5.444 9.639 -7.227 1.00 0.00 N ATOM 0 H GLN A 17 5.103 4.529 -6.673 1.00 0.00 H new ATOM 0 HA GLN A 17 2.821 5.494 -8.047 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.816 5.810 -8.296 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.763 6.477 -9.529 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.515 7.671 -7.637 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.823 7.177 -6.580 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.953 9.596 -6.334 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.977 10.472 -7.476 1.00 0.00 H new ATOM 229 N MET A 18 4.561 3.139 -9.503 1.00 0.00 N ATOM 230 CA MET A 18 4.576 2.206 -10.623 1.00 0.00 C ATOM 231 C MET A 18 3.298 1.373 -10.654 1.00 0.00 C ATOM 232 O MET A 18 2.766 1.072 -11.722 1.00 0.00 O ATOM 233 CB MET A 18 5.796 1.287 -10.534 1.00 0.00 C ATOM 234 CG MET A 18 7.100 1.971 -10.915 1.00 0.00 C ATOM 235 SD MET A 18 8.339 0.811 -11.525 1.00 0.00 S ATOM 236 CE MET A 18 9.082 0.271 -9.987 1.00 0.00 C ATOM 0 H MET A 18 5.246 2.935 -8.775 1.00 0.00 H new ATOM 0 HA MET A 18 4.634 2.785 -11.545 1.00 0.00 H new ATOM 0 HB2 MET A 18 5.879 0.904 -9.517 1.00 0.00 H new ATOM 0 HB3 MET A 18 5.642 0.427 -11.186 1.00 0.00 H new ATOM 0 HG2 MET A 18 6.902 2.721 -11.680 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.497 2.498 -10.047 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.870 -0.452 -10.198 1.00 0.00 H new ATOM 0 HE2 MET A 18 9.507 1.130 -9.467 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.322 -0.193 -9.359 1.00 0.00 H new ATOM 246 N LYS A 19 2.812 1.002 -9.474 1.00 0.00 N ATOM 247 CA LYS A 19 1.596 0.204 -9.365 1.00 0.00 C ATOM 248 C LYS A 19 0.356 1.076 -9.536 1.00 0.00 C ATOM 249 O LYS A 19 -0.525 0.769 -10.340 1.00 0.00 O ATOM 250 CB LYS A 19 1.549 -0.508 -8.011 1.00 0.00 C ATOM 251 CG LYS A 19 2.894 -1.056 -7.566 1.00 0.00 C ATOM 252 CD LYS A 19 3.524 -1.928 -8.639 1.00 0.00 C ATOM 253 CE LYS A 19 4.539 -2.894 -8.047 1.00 0.00 C ATOM 254 NZ LYS A 19 4.918 -3.961 -9.014 1.00 0.00 N ATOM 0 H LYS A 19 3.241 1.241 -8.580 1.00 0.00 H new ATOM 0 HA LYS A 19 1.607 -0.541 -10.161 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.182 0.188 -7.256 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.832 -1.327 -8.065 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.564 -0.230 -7.328 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.767 -1.637 -6.652 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.746 -2.488 -9.157 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.011 -1.297 -9.382 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.430 -2.344 -7.745 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.125 -3.349 -7.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.611 -4.599 -8.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.072 -4.502 -9.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.336 -3.528 -9.862 1.00 0.00 H new ATOM 268 N THR A 20 0.294 2.165 -8.777 1.00 0.00 N ATOM 269 CA THR A 20 -0.838 3.081 -8.845 1.00 0.00 C ATOM 270 C THR A 20 -0.923 3.748 -10.213 1.00 0.00 C ATOM 271 O THR A 20 -1.917 4.398 -10.536 1.00 0.00 O ATOM 272 CB THR A 20 -0.745 4.170 -7.760 1.00 0.00 C ATOM 273 OG1 THR A 20 0.461 4.923 -7.923 1.00 0.00 O ATOM 274 CG2 THR A 20 -0.780 3.553 -6.370 1.00 0.00 C ATOM 0 H THR A 20 1.015 2.435 -8.108 1.00 0.00 H new ATOM 0 HA THR A 20 -1.736 2.487 -8.677 1.00 0.00 H new ATOM 0 HB THR A 20 -1.603 4.833 -7.868 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.223 4.391 -7.612 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.713 4.341 -5.620 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.713 3.005 -6.238 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.061 2.870 -6.254 1.00 0.00 H new ATOM 282 N ALA A 21 0.124 3.583 -11.014 1.00 0.00 N ATOM 283 CA ALA A 21 0.166 4.167 -12.348 1.00 0.00 C ATOM 284 C ALA A 21 -1.077 3.797 -13.148 1.00 0.00 C ATOM 285 O ALA A 21 -1.428 2.624 -13.263 1.00 0.00 O ATOM 286 CB ALA A 21 1.421 3.718 -13.082 1.00 0.00 C ATOM 0 H ALA A 21 0.955 3.049 -10.762 1.00 0.00 H new ATOM 0 HA ALA A 21 0.189 5.252 -12.242 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.439 4.162 -14.077 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.302 4.038 -12.526 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.422 2.632 -13.169 1.00 0.00 H new ATOM 292 N GLY A 22 -1.743 4.808 -13.700 1.00 0.00 N ATOM 293 CA GLY A 22 -2.942 4.568 -14.482 1.00 0.00 C ATOM 294 C GLY A 22 -4.194 5.071 -13.792 1.00 0.00 C ATOM 295 O GLY A 22 -5.007 5.768 -14.398 1.00 0.00 O ATOM 0 H GLY A 22 -1.473 5.788 -13.619 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.844 5.057 -15.451 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.040 3.499 -14.672 1.00 0.00 H new ATOM 299 N TYR A 23 -4.352 4.714 -12.522 1.00 0.00 N ATOM 300 CA TYR A 23 -5.517 5.131 -11.750 1.00 0.00 C ATOM 301 C TYR A 23 -5.641 6.651 -11.729 1.00 0.00 C ATOM 302 O TYR A 23 -4.776 7.364 -11.218 1.00 0.00 O ATOM 303 CB TYR A 23 -5.425 4.595 -10.321 1.00 0.00 C ATOM 304 CG TYR A 23 -5.657 3.104 -10.217 1.00 0.00 C ATOM 305 CD1 TYR A 23 -6.944 2.586 -10.154 1.00 0.00 C ATOM 306 CD2 TYR A 23 -4.590 2.217 -10.179 1.00 0.00 C ATOM 307 CE1 TYR A 23 -7.161 1.224 -10.058 1.00 0.00 C ATOM 308 CE2 TYR A 23 -4.798 0.854 -10.085 1.00 0.00 C ATOM 309 CZ TYR A 23 -6.085 0.363 -10.025 1.00 0.00 C ATOM 310 OH TYR A 23 -6.296 -0.994 -9.929 1.00 0.00 O ATOM 0 H TYR A 23 -3.688 4.137 -12.005 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.406 4.720 -12.229 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.441 4.830 -9.916 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.157 5.112 -9.700 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.789 3.258 -10.180 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -3.581 2.598 -10.224 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.168 0.837 -10.009 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.957 0.177 -10.059 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.248 -1.167 -9.771 1.00 0.00 H new ATOM 320 N PRO A 24 -6.744 7.162 -12.296 1.00 0.00 N ATOM 321 CA PRO A 24 -7.009 8.602 -12.355 1.00 0.00 C ATOM 322 C PRO A 24 -7.325 9.190 -10.983 1.00 0.00 C ATOM 323 O PRO A 24 -6.892 10.294 -10.657 1.00 0.00 O ATOM 324 CB PRO A 24 -8.231 8.700 -13.272 1.00 0.00 C ATOM 325 CG PRO A 24 -8.910 7.381 -13.141 1.00 0.00 C ATOM 326 CD PRO A 24 -7.817 6.373 -12.924 1.00 0.00 C ATOM 0 HA PRO A 24 -6.144 9.161 -12.712 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -8.888 9.515 -12.970 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.937 8.893 -14.304 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.610 7.384 -12.305 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.484 7.147 -14.037 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.145 5.557 -12.280 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.490 5.926 -13.863 1.00 0.00 H new ATOM 334 N ASN A 25 -8.081 8.444 -10.184 1.00 0.00 N ATOM 335 CA ASN A 25 -8.454 8.891 -8.848 1.00 0.00 C ATOM 336 C ASN A 25 -7.398 8.485 -7.824 1.00 0.00 C ATOM 337 O ASN A 25 -7.693 8.334 -6.638 1.00 0.00 O ATOM 338 CB ASN A 25 -9.813 8.311 -8.453 1.00 0.00 C ATOM 339 CG ASN A 25 -10.965 9.012 -9.148 1.00 0.00 C ATOM 340 OD1 ASN A 25 -11.554 9.992 -8.474 1.00 0.00 O flip ATOM 341 ND2 ASN A 25 -11.320 8.675 -10.278 1.00 0.00 N flip ATOM 0 H ASN A 25 -8.447 7.527 -10.439 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.522 9.979 -8.862 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.837 7.249 -8.698 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.940 8.392 -7.373 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.838 7.916 -10.759 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.096 9.155 -10.733 1.00 0.00 H new ATOM 348 N VAL A 26 -6.165 8.309 -8.290 1.00 0.00 N ATOM 349 CA VAL A 26 -5.065 7.923 -7.416 1.00 0.00 C ATOM 350 C VAL A 26 -3.779 8.645 -7.799 1.00 0.00 C ATOM 351 O VAL A 26 -3.494 8.844 -8.979 1.00 0.00 O ATOM 352 CB VAL A 26 -4.821 6.402 -7.461 1.00 0.00 C ATOM 353 CG1 VAL A 26 -3.766 6.000 -6.441 1.00 0.00 C ATOM 354 CG2 VAL A 26 -6.120 5.647 -7.223 1.00 0.00 C ATOM 0 H VAL A 26 -5.904 8.428 -9.269 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.350 8.208 -6.403 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.452 6.140 -8.452 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.607 4.923 -6.487 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.831 6.515 -6.663 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.103 6.274 -5.441 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.929 4.574 -7.258 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.521 5.912 -6.245 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.842 5.913 -7.995 1.00 0.00 H new ATOM 364 N ASN A 27 -3.004 9.034 -6.792 1.00 0.00 N ATOM 365 CA ASN A 27 -1.746 9.735 -7.023 1.00 0.00 C ATOM 366 C ASN A 27 -0.846 9.658 -5.793 1.00 0.00 C ATOM 367 O ASN A 27 -1.198 10.151 -4.722 1.00 0.00 O ATOM 368 CB ASN A 27 -2.012 11.199 -7.383 1.00 0.00 C ATOM 369 CG ASN A 27 -2.940 11.341 -8.574 1.00 0.00 C ATOM 370 OD1 ASN A 27 -2.551 11.086 -9.713 1.00 0.00 O ATOM 371 ND2 ASN A 27 -4.176 11.753 -8.314 1.00 0.00 N ATOM 0 H ASN A 27 -3.225 8.876 -5.809 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.236 9.250 -7.855 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.448 11.709 -6.523 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.066 11.694 -7.602 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.845 11.869 -9.075 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.455 11.953 -7.354 1.00 0.00 H new ATOM 378 N VAL A 28 0.317 9.036 -5.957 1.00 0.00 N ATOM 379 CA VAL A 28 1.270 8.895 -4.861 1.00 0.00 C ATOM 380 C VAL A 28 2.345 9.974 -4.926 1.00 0.00 C ATOM 381 O VAL A 28 3.325 9.845 -5.660 1.00 0.00 O ATOM 382 CB VAL A 28 1.944 7.511 -4.877 1.00 0.00 C ATOM 383 CG1 VAL A 28 2.726 7.283 -3.593 1.00 0.00 C ATOM 384 CG2 VAL A 28 0.908 6.417 -5.082 1.00 0.00 C ATOM 0 H VAL A 28 0.622 8.622 -6.838 1.00 0.00 H new ATOM 0 HA VAL A 28 0.706 9.004 -3.935 1.00 0.00 H new ATOM 0 HB VAL A 28 2.645 7.477 -5.711 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.195 6.300 -3.623 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.495 8.049 -3.494 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.049 7.336 -2.740 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.402 5.445 -5.091 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.181 6.447 -4.270 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.397 6.573 -6.032 1.00 0.00 H new ATOM 394 N HIS A 29 2.156 11.038 -4.152 1.00 0.00 N ATOM 395 CA HIS A 29 3.112 12.139 -4.121 1.00 0.00 C ATOM 396 C HIS A 29 3.766 12.252 -2.747 1.00 0.00 C ATOM 397 O HIS A 29 4.950 12.564 -2.637 1.00 0.00 O ATOM 398 CB HIS A 29 2.418 13.455 -4.477 1.00 0.00 C ATOM 399 CG HIS A 29 3.363 14.604 -4.646 1.00 0.00 C ATOM 400 ND1 HIS A 29 4.435 14.575 -5.514 1.00 0.00 N ATOM 401 CD2 HIS A 29 3.392 15.820 -4.055 1.00 0.00 C ATOM 402 CE1 HIS A 29 5.083 15.724 -5.448 1.00 0.00 C ATOM 403 NE2 HIS A 29 4.471 16.498 -4.569 1.00 0.00 N ATOM 0 H HIS A 29 1.350 11.161 -3.539 1.00 0.00 H new ATOM 0 HA HIS A 29 3.888 11.934 -4.858 1.00 0.00 H new ATOM 0 HB2 HIS A 29 1.854 13.321 -5.400 1.00 0.00 H new ATOM 0 HB3 HIS A 29 1.698 13.699 -3.696 1.00 0.00 H new ATOM 0 HD2 HIS A 29 2.696 16.190 -3.316 1.00 0.00 H new ATOM 0 HE1 HIS A 29 5.963 15.986 -6.016 1.00 0.00 H new ATOM 0 HE2 HIS A 29 4.753 17.444 -4.314 1.00 0.00 H new ATOM 412 N ASN A 30 2.985 11.996 -1.702 1.00 0.00 N ATOM 413 CA ASN A 30 3.489 12.070 -0.335 1.00 0.00 C ATOM 414 C ASN A 30 3.132 10.809 0.445 1.00 0.00 C ATOM 415 O ASN A 30 2.390 9.954 -0.040 1.00 0.00 O ATOM 416 CB ASN A 30 2.919 13.300 0.375 1.00 0.00 C ATOM 417 CG ASN A 30 1.542 13.677 -0.137 1.00 0.00 C ATOM 418 OD1 ASN A 30 0.556 12.831 0.140 1.00 0.00 O flip ATOM 419 ND2 ASN A 30 1.367 14.716 -0.774 1.00 0.00 N flip ATOM 0 H ASN A 30 2.002 11.736 -1.776 1.00 0.00 H new ATOM 0 HA ASN A 30 4.575 12.154 -0.379 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.865 13.105 1.446 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.598 14.142 0.238 1.00 0.00 H new ATOM 0 HD21 ASN A 30 2.154 15.337 -0.964 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.435 14.956 -1.112 1.00 0.00 H new ATOM 426 N PHE A 31 3.666 10.697 1.657 1.00 0.00 N ATOM 427 CA PHE A 31 3.405 9.540 2.505 1.00 0.00 C ATOM 428 C PHE A 31 2.506 9.917 3.679 1.00 0.00 C ATOM 429 O PHE A 31 2.530 9.272 4.727 1.00 0.00 O ATOM 430 CB PHE A 31 4.720 8.954 3.023 1.00 0.00 C ATOM 431 CG PHE A 31 5.449 8.125 2.003 1.00 0.00 C ATOM 432 CD1 PHE A 31 4.976 6.874 1.642 1.00 0.00 C ATOM 433 CD2 PHE A 31 6.607 8.598 1.407 1.00 0.00 C ATOM 434 CE1 PHE A 31 5.646 6.110 0.705 1.00 0.00 C ATOM 435 CE2 PHE A 31 7.281 7.839 0.470 1.00 0.00 C ATOM 436 CZ PHE A 31 6.799 6.593 0.118 1.00 0.00 C ATOM 0 H PHE A 31 4.283 11.394 2.074 1.00 0.00 H new ATOM 0 HA PHE A 31 2.892 8.789 1.904 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.368 9.768 3.349 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.515 8.340 3.900 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.074 6.492 2.097 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.987 9.572 1.678 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.268 5.136 0.432 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.183 8.219 0.013 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.323 5.998 -0.615 1.00 0.00 H new ATOM 446 N THR A 32 1.713 10.969 3.495 1.00 0.00 N ATOM 447 CA THR A 32 0.807 11.434 4.537 1.00 0.00 C ATOM 448 C THR A 32 -0.608 11.610 3.999 1.00 0.00 C ATOM 449 O THR A 32 -1.523 10.877 4.375 1.00 0.00 O ATOM 450 CB THR A 32 1.285 12.769 5.141 1.00 0.00 C ATOM 451 OG1 THR A 32 1.275 13.791 4.139 1.00 0.00 O ATOM 452 CG2 THR A 32 2.685 12.631 5.719 1.00 0.00 C ATOM 0 H THR A 32 1.681 11.514 2.634 1.00 0.00 H new ATOM 0 HA THR A 32 0.803 10.671 5.316 1.00 0.00 H new ATOM 0 HB THR A 32 0.603 13.044 5.946 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.578 14.636 4.531 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.001 13.586 6.139 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.682 11.873 6.502 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.377 12.335 4.930 1.00 0.00 H new ATOM 460 N THR A 33 -0.782 12.587 3.114 1.00 0.00 N ATOM 461 CA THR A 33 -2.085 12.860 2.522 1.00 0.00 C ATOM 462 C THR A 33 -2.282 12.070 1.234 1.00 0.00 C ATOM 463 O THR A 33 -2.982 12.512 0.323 1.00 0.00 O ATOM 464 CB THR A 33 -2.264 14.360 2.223 1.00 0.00 C ATOM 465 OG1 THR A 33 -1.292 14.787 1.262 1.00 0.00 O ATOM 466 CG2 THR A 33 -2.126 15.186 3.493 1.00 0.00 C ATOM 0 H THR A 33 -0.035 13.203 2.792 1.00 0.00 H new ATOM 0 HA THR A 33 -2.833 12.551 3.252 1.00 0.00 H new ATOM 0 HB THR A 33 -3.265 14.510 1.819 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.718 14.031 1.019 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.256 16.242 3.256 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.886 14.879 4.211 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.137 15.030 3.923 1.00 0.00 H new ATOM 474 N SER A 34 -1.660 10.897 1.164 1.00 0.00 N ATOM 475 CA SER A 34 -1.764 10.045 -0.014 1.00 0.00 C ATOM 476 C SER A 34 -2.389 8.700 0.340 1.00 0.00 C ATOM 477 O SER A 34 -2.910 7.997 -0.526 1.00 0.00 O ATOM 478 CB SER A 34 -0.384 9.830 -0.638 1.00 0.00 C ATOM 479 OG SER A 34 -0.486 9.167 -1.886 1.00 0.00 O ATOM 0 H SER A 34 -1.079 10.515 1.910 1.00 0.00 H new ATOM 0 HA SER A 34 -2.408 10.546 -0.737 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.111 10.792 -0.773 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.237 9.244 0.039 1.00 0.00 H new ATOM 0 HG SER A 34 -0.755 9.809 -2.576 1.00 0.00 H new ATOM 485 N TRP A 35 -2.334 8.348 1.620 1.00 0.00 N ATOM 486 CA TRP A 35 -2.894 7.087 2.090 1.00 0.00 C ATOM 487 C TRP A 35 -4.019 7.331 3.090 1.00 0.00 C ATOM 488 O TRP A 35 -4.615 6.387 3.610 1.00 0.00 O ATOM 489 CB TRP A 35 -1.803 6.228 2.732 1.00 0.00 C ATOM 490 CG TRP A 35 -0.535 6.186 1.934 1.00 0.00 C ATOM 491 CD1 TRP A 35 0.405 7.173 1.836 1.00 0.00 C ATOM 492 CD2 TRP A 35 -0.069 5.103 1.122 1.00 0.00 C ATOM 493 NE1 TRP A 35 1.427 6.768 1.012 1.00 0.00 N ATOM 494 CE2 TRP A 35 1.161 5.502 0.562 1.00 0.00 C ATOM 495 CE3 TRP A 35 -0.569 3.835 0.815 1.00 0.00 C ATOM 496 CZ2 TRP A 35 1.893 4.677 -0.288 1.00 0.00 C ATOM 497 CZ3 TRP A 35 0.159 3.018 -0.028 1.00 0.00 C ATOM 498 CH2 TRP A 35 1.380 3.441 -0.571 1.00 0.00 C ATOM 0 H TRP A 35 -1.907 8.918 2.350 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.305 6.558 1.230 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.585 6.614 3.728 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.178 5.212 2.859 1.00 0.00 H new ATOM 0 HD1 TRP A 35 0.352 8.130 2.333 1.00 0.00 H new ATOM 0 HE1 TRP A 35 2.251 7.321 0.774 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.508 3.500 1.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.833 5.002 -0.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.219 2.036 -0.273 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.926 2.778 -1.226 1.00 0.00 H new ATOM 509 N ARG A 36 -4.305 8.601 3.355 1.00 0.00 N ATOM 510 CA ARG A 36 -5.359 8.968 4.293 1.00 0.00 C ATOM 511 C ARG A 36 -6.684 8.317 3.905 1.00 0.00 C ATOM 512 O ARG A 36 -7.294 7.605 4.701 1.00 0.00 O ATOM 513 CB ARG A 36 -5.520 10.488 4.343 1.00 0.00 C ATOM 514 CG ARG A 36 -6.388 10.971 5.494 1.00 0.00 C ATOM 515 CD ARG A 36 -7.059 12.296 5.168 1.00 0.00 C ATOM 516 NE ARG A 36 -7.888 12.210 3.969 1.00 0.00 N ATOM 517 CZ ARG A 36 -8.636 13.211 3.518 1.00 0.00 C ATOM 518 NH1 ARG A 36 -8.657 14.369 4.164 1.00 0.00 N ATOM 519 NH2 ARG A 36 -9.362 13.056 2.419 1.00 0.00 N ATOM 0 H ARG A 36 -3.821 9.394 2.933 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.073 8.607 5.281 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.535 10.947 4.425 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.954 10.830 3.403 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.148 10.222 5.717 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.777 11.082 6.390 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.674 12.608 6.012 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.297 13.063 5.028 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.893 11.333 3.449 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.098 14.492 5.008 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.232 15.137 3.816 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.347 12.167 1.919 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.936 13.826 2.074 1.00 0.00 H new ATOM 533 N ASP A 37 -7.122 8.569 2.676 1.00 0.00 N ATOM 534 CA ASP A 37 -8.373 8.008 2.181 1.00 0.00 C ATOM 535 C ASP A 37 -8.332 6.483 2.202 1.00 0.00 C ATOM 536 O ASP A 37 -9.120 5.841 2.895 1.00 0.00 O ATOM 537 CB ASP A 37 -8.653 8.503 0.760 1.00 0.00 C ATOM 538 CG ASP A 37 -9.863 7.832 0.141 1.00 0.00 C ATOM 539 OD1 ASP A 37 -9.808 6.606 -0.089 1.00 0.00 O ATOM 540 OD2 ASP A 37 -10.865 8.534 -0.114 1.00 0.00 O ATOM 0 H ASP A 37 -6.629 9.158 2.005 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.176 8.341 2.839 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.809 9.582 0.778 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.779 8.318 0.135 1.00 0.00 H new ATOM 545 N GLY A 38 -7.407 5.910 1.438 1.00 0.00 N ATOM 546 CA GLY A 38 -7.281 4.466 1.383 1.00 0.00 C ATOM 547 C GLY A 38 -7.151 3.949 -0.036 1.00 0.00 C ATOM 548 O GLY A 38 -6.422 2.989 -0.290 1.00 0.00 O ATOM 0 H GLY A 38 -6.743 6.421 0.856 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.409 4.158 1.960 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.152 4.010 1.854 1.00 0.00 H new ATOM 552 N LEU A 39 -7.858 4.585 -0.963 1.00 0.00 N ATOM 553 CA LEU A 39 -7.819 4.183 -2.365 1.00 0.00 C ATOM 554 C LEU A 39 -6.433 3.677 -2.748 1.00 0.00 C ATOM 555 O LEU A 39 -6.293 2.607 -3.339 1.00 0.00 O ATOM 556 CB LEU A 39 -8.213 5.357 -3.264 1.00 0.00 C ATOM 557 CG LEU A 39 -9.697 5.722 -3.278 1.00 0.00 C ATOM 558 CD1 LEU A 39 -9.945 6.913 -4.192 1.00 0.00 C ATOM 559 CD2 LEU A 39 -10.537 4.530 -3.713 1.00 0.00 C ATOM 0 H LEU A 39 -8.465 5.381 -0.770 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.533 3.371 -2.505 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.646 6.234 -2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.906 5.126 -4.284 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.992 5.998 -2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.007 7.159 -4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.373 7.770 -3.836 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.632 6.665 -5.206 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.591 4.809 -3.717 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.240 4.222 -4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.383 3.704 -3.019 1.00 0.00 H new ATOM 571 N ALA A 40 -5.409 4.453 -2.406 1.00 0.00 N ATOM 572 CA ALA A 40 -4.033 4.082 -2.710 1.00 0.00 C ATOM 573 C ALA A 40 -3.757 2.633 -2.323 1.00 0.00 C ATOM 574 O ALA A 40 -3.327 1.828 -3.151 1.00 0.00 O ATOM 575 CB ALA A 40 -3.065 5.014 -1.998 1.00 0.00 C ATOM 0 H ALA A 40 -5.507 5.343 -1.918 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.886 4.178 -3.786 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.041 4.725 -2.234 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.238 6.039 -2.327 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.221 4.948 -0.921 1.00 0.00 H new ATOM 581 N PHE A 41 -4.006 2.305 -1.059 1.00 0.00 N ATOM 582 CA PHE A 41 -3.783 0.953 -0.561 1.00 0.00 C ATOM 583 C PHE A 41 -4.573 -0.066 -1.379 1.00 0.00 C ATOM 584 O PHE A 41 -4.052 -1.115 -1.754 1.00 0.00 O ATOM 585 CB PHE A 41 -4.180 0.857 0.913 1.00 0.00 C ATOM 586 CG PHE A 41 -3.158 1.438 1.848 1.00 0.00 C ATOM 587 CD1 PHE A 41 -1.840 1.011 1.808 1.00 0.00 C ATOM 588 CD2 PHE A 41 -3.515 2.412 2.767 1.00 0.00 C ATOM 589 CE1 PHE A 41 -0.897 1.544 2.666 1.00 0.00 C ATOM 590 CE2 PHE A 41 -2.576 2.949 3.627 1.00 0.00 C ATOM 591 CZ PHE A 41 -1.266 2.514 3.578 1.00 0.00 C ATOM 0 H PHE A 41 -4.362 2.958 -0.361 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.721 0.728 -0.660 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -5.129 1.372 1.060 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.342 -0.190 1.170 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.546 0.252 1.098 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.538 2.755 2.812 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.127 1.203 2.624 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.866 3.709 4.337 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.532 2.931 4.251 1.00 0.00 H new ATOM 601 N ASN A 42 -5.835 0.254 -1.651 1.00 0.00 N ATOM 602 CA ASN A 42 -6.697 -0.633 -2.423 1.00 0.00 C ATOM 603 C ASN A 42 -6.275 -0.662 -3.889 1.00 0.00 C ATOM 604 O ASN A 42 -6.884 -1.350 -4.707 1.00 0.00 O ATOM 605 CB ASN A 42 -8.155 -0.184 -2.310 1.00 0.00 C ATOM 606 CG ASN A 42 -8.641 -0.153 -0.874 1.00 0.00 C ATOM 607 OD1 ASN A 42 -8.975 -1.189 -0.297 1.00 0.00 O ATOM 608 ND2 ASN A 42 -8.684 1.038 -0.289 1.00 0.00 N ATOM 0 H ASN A 42 -6.282 1.120 -1.349 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.600 -1.639 -2.016 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.262 0.808 -2.748 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.786 -0.858 -2.890 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.003 1.121 0.676 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.398 1.870 -0.805 1.00 0.00 H new ATOM 615 N ALA A 43 -5.227 0.089 -4.212 1.00 0.00 N ATOM 616 CA ALA A 43 -4.721 0.147 -5.578 1.00 0.00 C ATOM 617 C ALA A 43 -3.537 -0.795 -5.765 1.00 0.00 C ATOM 618 O ALA A 43 -3.381 -1.407 -6.822 1.00 0.00 O ATOM 619 CB ALA A 43 -4.327 1.572 -5.935 1.00 0.00 C ATOM 0 H ALA A 43 -4.712 0.665 -3.546 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.517 -0.176 -6.248 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.951 1.600 -6.958 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.198 2.222 -5.850 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.550 1.916 -5.253 1.00 0.00 H new ATOM 625 N ILE A 44 -2.706 -0.905 -4.735 1.00 0.00 N ATOM 626 CA ILE A 44 -1.536 -1.773 -4.786 1.00 0.00 C ATOM 627 C ILE A 44 -1.941 -3.233 -4.962 1.00 0.00 C ATOM 628 O ILE A 44 -1.373 -3.951 -5.784 1.00 0.00 O ATOM 629 CB ILE A 44 -0.679 -1.639 -3.513 1.00 0.00 C ATOM 630 CG1 ILE A 44 -0.195 -0.198 -3.347 1.00 0.00 C ATOM 631 CG2 ILE A 44 0.501 -2.597 -3.567 1.00 0.00 C ATOM 632 CD1 ILE A 44 0.371 0.095 -1.975 1.00 0.00 C ATOM 0 H ILE A 44 -2.821 -0.404 -3.854 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.946 -1.456 -5.646 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.293 -1.897 -2.650 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.568 0.009 -4.098 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.026 0.480 -3.541 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.097 -2.491 -2.661 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.135 -3.621 -3.643 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.117 -2.367 -4.436 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.694 1.135 -1.929 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.396 -0.080 -1.220 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.223 -0.558 -1.786 1.00 0.00 H new ATOM 644 N VAL A 45 -2.930 -3.664 -4.186 1.00 0.00 N ATOM 645 CA VAL A 45 -3.414 -5.037 -4.257 1.00 0.00 C ATOM 646 C VAL A 45 -4.168 -5.287 -5.559 1.00 0.00 C ATOM 647 O VAL A 45 -3.783 -6.143 -6.357 1.00 0.00 O ATOM 648 CB VAL A 45 -4.340 -5.369 -3.071 1.00 0.00 C ATOM 649 CG1 VAL A 45 -4.828 -6.806 -3.158 1.00 0.00 C ATOM 650 CG2 VAL A 45 -3.623 -5.120 -1.751 1.00 0.00 C ATOM 0 H VAL A 45 -3.412 -3.082 -3.501 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.537 -5.683 -4.216 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.209 -4.713 -3.117 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.480 -7.021 -2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.381 -6.947 -4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.973 -7.482 -3.138 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.291 -5.359 -0.923 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.735 -5.750 -1.695 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.329 -4.072 -1.689 1.00 0.00 H new ATOM 660 N HIS A 46 -5.243 -4.534 -5.768 1.00 0.00 N ATOM 661 CA HIS A 46 -6.050 -4.673 -6.976 1.00 0.00 C ATOM 662 C HIS A 46 -5.168 -4.934 -8.192 1.00 0.00 C ATOM 663 O HIS A 46 -5.482 -5.780 -9.031 1.00 0.00 O ATOM 664 CB HIS A 46 -6.889 -3.416 -7.201 1.00 0.00 C ATOM 665 CG HIS A 46 -7.891 -3.554 -8.305 1.00 0.00 C ATOM 666 ND1 HIS A 46 -7.576 -3.363 -9.635 1.00 0.00 N ATOM 667 CD2 HIS A 46 -9.208 -3.869 -8.273 1.00 0.00 C ATOM 668 CE1 HIS A 46 -8.656 -3.552 -10.372 1.00 0.00 C ATOM 669 NE2 HIS A 46 -9.660 -3.861 -9.570 1.00 0.00 N ATOM 0 H HIS A 46 -5.576 -3.822 -5.118 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.715 -5.526 -6.842 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.411 -3.167 -6.277 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -6.225 -2.582 -7.426 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -6.654 -3.115 -9.993 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.794 -4.086 -7.392 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.709 -3.468 -11.447 1.00 0.00 H new ATOM 678 N LYS A 47 -4.062 -4.203 -8.283 1.00 0.00 N ATOM 679 CA LYS A 47 -3.133 -4.356 -9.397 1.00 0.00 C ATOM 680 C LYS A 47 -2.614 -5.787 -9.481 1.00 0.00 C ATOM 681 O LYS A 47 -2.576 -6.382 -10.559 1.00 0.00 O ATOM 682 CB LYS A 47 -1.960 -3.384 -9.245 1.00 0.00 C ATOM 683 CG LYS A 47 -1.175 -3.173 -10.528 1.00 0.00 C ATOM 684 CD LYS A 47 -1.845 -2.149 -11.429 1.00 0.00 C ATOM 685 CE LYS A 47 -0.906 -1.674 -12.527 1.00 0.00 C ATOM 686 NZ LYS A 47 -1.647 -1.275 -13.756 1.00 0.00 N ATOM 0 H LYS A 47 -3.787 -3.499 -7.599 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.669 -4.129 -10.319 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.338 -2.422 -8.898 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.286 -3.758 -8.474 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.165 -2.842 -10.287 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.082 -4.120 -11.059 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.738 -2.585 -11.876 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.171 -1.296 -10.833 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.322 -0.828 -12.165 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.200 -2.468 -12.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.972 -0.957 -14.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.185 -2.089 -14.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.302 -0.500 -13.530 1.00 0.00 H new ATOM 700 N HIS A 48 -2.216 -6.336 -8.338 1.00 0.00 N ATOM 701 CA HIS A 48 -1.702 -7.699 -8.282 1.00 0.00 C ATOM 702 C HIS A 48 -2.835 -8.713 -8.401 1.00 0.00 C ATOM 703 O HIS A 48 -2.821 -9.574 -9.282 1.00 0.00 O ATOM 704 CB HIS A 48 -0.935 -7.925 -6.979 1.00 0.00 C ATOM 705 CG HIS A 48 0.034 -6.830 -6.656 1.00 0.00 C ATOM 706 ND1 HIS A 48 0.220 -6.119 -5.519 1.00 0.00 N flip ATOM 707 CD2 HIS A 48 0.955 -6.349 -7.562 1.00 0.00 C flip ATOM 708 CE1 HIS A 48 1.241 -5.231 -5.757 1.00 0.00 C flip ATOM 709 NE2 HIS A 48 1.668 -5.391 -6.996 1.00 0.00 N flip ATOM 0 H HIS A 48 -2.240 -5.857 -7.438 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.023 -7.839 -9.123 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.648 -8.022 -6.160 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.395 -8.869 -7.044 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -0.301 -6.223 -4.648 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.075 -6.700 -8.576 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.631 -4.518 -5.046 1.00 0.00 H new ATOM 718 N ARG A 49 -3.815 -8.605 -7.511 1.00 0.00 N ATOM 719 CA ARG A 49 -4.956 -9.514 -7.515 1.00 0.00 C ATOM 720 C ARG A 49 -6.268 -8.739 -7.472 1.00 0.00 C ATOM 721 O ARG A 49 -6.815 -8.451 -6.406 1.00 0.00 O ATOM 722 CB ARG A 49 -4.877 -10.470 -6.324 1.00 0.00 C ATOM 723 CG ARG A 49 -3.562 -11.229 -6.237 1.00 0.00 C ATOM 724 CD ARG A 49 -3.583 -12.481 -7.099 1.00 0.00 C ATOM 725 NE ARG A 49 -4.364 -13.553 -6.489 1.00 0.00 N ATOM 726 CZ ARG A 49 -3.892 -14.359 -5.544 1.00 0.00 C ATOM 727 NH1 ARG A 49 -2.650 -14.214 -5.104 1.00 0.00 N ATOM 728 NH2 ARG A 49 -4.664 -15.312 -5.037 1.00 0.00 N ATOM 0 H ARG A 49 -3.843 -7.897 -6.777 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.925 -10.092 -8.439 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.021 -9.903 -5.404 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.696 -11.186 -6.389 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.745 -10.581 -6.555 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.367 -11.503 -5.200 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.000 -12.241 -8.077 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.562 -12.825 -7.263 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.324 -13.691 -6.805 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.054 -13.482 -5.491 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.290 -14.834 -4.378 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.620 -15.426 -5.373 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.301 -15.930 -4.312 1.00 0.00 H new ATOM 742 N PRO A 50 -6.789 -8.391 -8.659 1.00 0.00 N ATOM 743 CA PRO A 50 -8.044 -7.644 -8.783 1.00 0.00 C ATOM 744 C PRO A 50 -9.257 -8.478 -8.386 1.00 0.00 C ATOM 745 O PRO A 50 -10.394 -8.009 -8.452 1.00 0.00 O ATOM 746 CB PRO A 50 -8.102 -7.294 -10.272 1.00 0.00 C ATOM 747 CG PRO A 50 -7.284 -8.344 -10.941 1.00 0.00 C ATOM 748 CD PRO A 50 -6.194 -8.700 -9.969 1.00 0.00 C ATOM 0 HA PRO A 50 -8.068 -6.776 -8.125 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -9.128 -7.298 -10.640 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.699 -6.299 -10.461 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.891 -9.216 -11.184 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.867 -7.976 -11.878 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -5.915 -9.751 -10.046 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.291 -8.117 -10.147 1.00 0.00 H new ATOM 756 N ASP A 51 -9.008 -9.715 -7.971 1.00 0.00 N ATOM 757 CA ASP A 51 -10.081 -10.614 -7.561 1.00 0.00 C ATOM 758 C ASP A 51 -10.497 -10.340 -6.119 1.00 0.00 C ATOM 759 O ASP A 51 -11.685 -10.349 -5.791 1.00 0.00 O ATOM 760 CB ASP A 51 -9.639 -12.071 -7.709 1.00 0.00 C ATOM 761 CG ASP A 51 -9.666 -12.540 -9.151 1.00 0.00 C ATOM 762 OD1 ASP A 51 -8.644 -12.372 -9.848 1.00 0.00 O ATOM 763 OD2 ASP A 51 -10.710 -13.075 -9.582 1.00 0.00 O ATOM 0 H ASP A 51 -8.073 -10.118 -7.910 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.939 -10.435 -8.209 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.630 -12.184 -7.312 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -10.290 -12.708 -7.110 1.00 0.00 H new ATOM 768 N LEU A 52 -9.512 -10.100 -5.260 1.00 0.00 N ATOM 769 CA LEU A 52 -9.776 -9.825 -3.851 1.00 0.00 C ATOM 770 C LEU A 52 -10.794 -8.699 -3.698 1.00 0.00 C ATOM 771 O LEU A 52 -11.838 -8.874 -3.066 1.00 0.00 O ATOM 772 CB LEU A 52 -8.478 -9.455 -3.132 1.00 0.00 C ATOM 773 CG LEU A 52 -7.316 -10.436 -3.298 1.00 0.00 C ATOM 774 CD1 LEU A 52 -6.113 -9.979 -2.487 1.00 0.00 C ATOM 775 CD2 LEU A 52 -7.739 -11.838 -2.885 1.00 0.00 C ATOM 0 H LEU A 52 -8.524 -10.090 -5.514 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.189 -10.728 -3.401 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.155 -8.477 -3.488 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.692 -9.353 -2.068 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.032 -10.459 -4.350 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.296 -10.689 -2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.796 -8.994 -2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.384 -9.927 -1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.900 -12.523 -3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.050 -11.831 -1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.571 -12.166 -3.509 1.00 0.00 H new ATOM 787 N LEU A 53 -10.485 -7.546 -4.281 1.00 0.00 N ATOM 788 CA LEU A 53 -11.375 -6.392 -4.210 1.00 0.00 C ATOM 789 C LEU A 53 -11.698 -5.868 -5.606 1.00 0.00 C ATOM 790 O LEU A 53 -11.111 -6.306 -6.596 1.00 0.00 O ATOM 791 CB LEU A 53 -10.738 -5.283 -3.371 1.00 0.00 C ATOM 792 CG LEU A 53 -9.467 -4.654 -3.942 1.00 0.00 C ATOM 793 CD1 LEU A 53 -9.293 -3.236 -3.424 1.00 0.00 C ATOM 794 CD2 LEU A 53 -8.252 -5.503 -3.599 1.00 0.00 C ATOM 0 H LEU A 53 -9.626 -7.385 -4.807 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.304 -6.709 -3.736 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.476 -4.494 -3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.508 -5.688 -2.385 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.561 -4.612 -5.027 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.383 -2.805 -3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.150 -2.632 -3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.221 -3.252 -2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.356 -5.040 -4.013 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.154 -5.577 -2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.374 -6.500 -4.022 1.00 0.00 H new ATOM 806 N ASP A 54 -12.631 -4.926 -5.677 1.00 0.00 N ATOM 807 CA ASP A 54 -13.030 -4.339 -6.951 1.00 0.00 C ATOM 808 C ASP A 54 -12.939 -2.817 -6.900 1.00 0.00 C ATOM 809 O ASP A 54 -13.833 -2.148 -6.381 1.00 0.00 O ATOM 810 CB ASP A 54 -14.454 -4.765 -7.311 1.00 0.00 C ATOM 811 CG ASP A 54 -14.519 -6.187 -7.833 1.00 0.00 C ATOM 812 OD1 ASP A 54 -13.998 -7.093 -7.149 1.00 0.00 O ATOM 813 OD2 ASP A 54 -15.088 -6.394 -8.925 1.00 0.00 O ATOM 0 H ASP A 54 -13.126 -4.552 -4.867 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.346 -4.701 -7.719 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.090 -4.675 -6.431 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.854 -4.086 -8.064 1.00 0.00 H new ATOM 818 N PHE A 55 -11.853 -2.275 -7.441 1.00 0.00 N ATOM 819 CA PHE A 55 -11.644 -0.833 -7.455 1.00 0.00 C ATOM 820 C PHE A 55 -12.862 -0.112 -8.025 1.00 0.00 C ATOM 821 O PHE A 55 -13.369 0.838 -7.429 1.00 0.00 O ATOM 822 CB PHE A 55 -10.401 -0.483 -8.277 1.00 0.00 C ATOM 823 CG PHE A 55 -9.696 0.755 -7.801 1.00 0.00 C ATOM 824 CD1 PHE A 55 -10.090 2.007 -8.248 1.00 0.00 C ATOM 825 CD2 PHE A 55 -8.641 0.668 -6.908 1.00 0.00 C ATOM 826 CE1 PHE A 55 -9.442 3.147 -7.813 1.00 0.00 C ATOM 827 CE2 PHE A 55 -7.990 1.806 -6.468 1.00 0.00 C ATOM 828 CZ PHE A 55 -8.393 3.047 -6.921 1.00 0.00 C ATOM 0 H PHE A 55 -11.104 -2.814 -7.876 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.496 -0.504 -6.427 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.706 -1.322 -8.245 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.691 -0.348 -9.319 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -10.912 2.092 -8.943 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -8.323 -0.300 -6.551 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.756 4.116 -8.171 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.168 1.725 -5.772 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.888 3.938 -6.578 1.00 0.00 H new ATOM 838 N GLU A 56 -13.326 -0.571 -9.183 1.00 0.00 N ATOM 839 CA GLU A 56 -14.483 0.031 -9.835 1.00 0.00 C ATOM 840 C GLU A 56 -15.692 0.032 -8.902 1.00 0.00 C ATOM 841 O GLU A 56 -16.609 0.839 -9.060 1.00 0.00 O ATOM 842 CB GLU A 56 -14.821 -0.724 -11.122 1.00 0.00 C ATOM 843 CG GLU A 56 -13.771 -0.571 -12.210 1.00 0.00 C ATOM 844 CD GLU A 56 -14.134 -1.315 -13.481 1.00 0.00 C ATOM 845 OE1 GLU A 56 -14.191 -2.561 -13.442 1.00 0.00 O ATOM 846 OE2 GLU A 56 -14.362 -0.650 -14.513 1.00 0.00 O ATOM 0 H GLU A 56 -12.919 -1.358 -9.689 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.233 1.063 -10.082 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -14.942 -1.782 -10.891 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.779 -0.369 -11.501 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.641 0.487 -12.438 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.814 -0.938 -11.840 1.00 0.00 H new ATOM 853 N SER A 57 -15.685 -0.876 -7.932 1.00 0.00 N ATOM 854 CA SER A 57 -16.781 -0.981 -6.977 1.00 0.00 C ATOM 855 C SER A 57 -16.555 -0.057 -5.785 1.00 0.00 C ATOM 856 O SER A 57 -17.498 0.524 -5.245 1.00 0.00 O ATOM 857 CB SER A 57 -16.929 -2.426 -6.495 1.00 0.00 C ATOM 858 OG SER A 57 -18.245 -2.679 -6.036 1.00 0.00 O ATOM 0 H SER A 57 -14.933 -1.549 -7.787 1.00 0.00 H new ATOM 0 HA SER A 57 -17.698 -0.677 -7.481 1.00 0.00 H new ATOM 0 HB2 SER A 57 -16.686 -3.110 -7.308 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.217 -2.619 -5.692 1.00 0.00 H new ATOM 0 HG SER A 57 -18.313 -3.609 -5.735 1.00 0.00 H new ATOM 864 N LEU A 58 -15.297 0.075 -5.377 1.00 0.00 N ATOM 865 CA LEU A 58 -14.944 0.929 -4.248 1.00 0.00 C ATOM 866 C LEU A 58 -15.459 2.349 -4.458 1.00 0.00 C ATOM 867 O LEU A 58 -15.792 2.741 -5.575 1.00 0.00 O ATOM 868 CB LEU A 58 -13.427 0.948 -4.053 1.00 0.00 C ATOM 869 CG LEU A 58 -12.774 -0.396 -3.725 1.00 0.00 C ATOM 870 CD1 LEU A 58 -11.262 -0.254 -3.659 1.00 0.00 C ATOM 871 CD2 LEU A 58 -13.318 -0.946 -2.414 1.00 0.00 C ATOM 0 H LEU A 58 -14.505 -0.398 -5.811 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.414 0.520 -3.354 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.969 1.339 -4.961 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.193 1.648 -3.251 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.017 -1.100 -4.521 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.816 -1.220 -3.425 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.887 0.095 -4.621 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.998 0.465 -2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -12.843 -1.902 -2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.106 -0.243 -1.608 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.396 -1.087 -2.498 1.00 0.00 H new ATOM 883 N LYS A 59 -15.520 3.116 -3.374 1.00 0.00 N ATOM 884 CA LYS A 59 -15.991 4.494 -3.437 1.00 0.00 C ATOM 885 C LYS A 59 -15.153 5.397 -2.538 1.00 0.00 C ATOM 886 O LYS A 59 -14.581 4.945 -1.546 1.00 0.00 O ATOM 887 CB LYS A 59 -17.463 4.571 -3.026 1.00 0.00 C ATOM 888 CG LYS A 59 -18.427 4.185 -4.135 1.00 0.00 C ATOM 889 CD LYS A 59 -18.594 5.308 -5.143 1.00 0.00 C ATOM 890 CE LYS A 59 -19.482 6.418 -4.599 1.00 0.00 C ATOM 891 NZ LYS A 59 -20.121 7.203 -5.691 1.00 0.00 N ATOM 0 H LYS A 59 -15.249 2.806 -2.441 1.00 0.00 H new ATOM 0 HA LYS A 59 -15.889 4.840 -4.466 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -17.627 3.917 -2.170 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -17.687 5.586 -2.699 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -18.062 3.292 -4.641 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -19.396 3.934 -3.705 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -17.616 5.716 -5.400 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -19.026 4.912 -6.062 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -20.254 5.986 -3.963 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -18.888 7.084 -3.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -20.717 7.949 -5.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -19.385 7.636 -6.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -20.708 6.573 -6.274 1.00 0.00 H new ATOM 905 N LYS A 60 -15.086 6.677 -2.891 1.00 0.00 N ATOM 906 CA LYS A 60 -14.319 7.645 -2.116 1.00 0.00 C ATOM 907 C LYS A 60 -15.233 8.448 -1.193 1.00 0.00 C ATOM 908 O LYS A 60 -15.165 9.676 -1.154 1.00 0.00 O ATOM 909 CB LYS A 60 -13.562 8.592 -3.048 1.00 0.00 C ATOM 910 CG LYS A 60 -14.431 9.203 -4.133 1.00 0.00 C ATOM 911 CD LYS A 60 -14.436 8.350 -5.391 1.00 0.00 C ATOM 912 CE LYS A 60 -13.287 8.717 -6.317 1.00 0.00 C ATOM 913 NZ LYS A 60 -13.106 7.710 -7.400 1.00 0.00 N ATOM 0 H LYS A 60 -15.554 7.068 -3.709 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.602 7.097 -1.505 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.118 9.393 -2.456 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.741 8.048 -3.515 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -15.451 9.314 -3.764 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.067 10.202 -4.372 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -14.363 7.297 -5.118 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -15.383 8.479 -5.915 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.474 9.696 -6.758 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.366 8.799 -5.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.121 7.375 -7.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.745 6.906 -7.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.325 8.145 -8.319 1.00 0.00 H new ATOM 927 N CYS A 61 -16.083 7.744 -0.453 1.00 0.00 N ATOM 928 CA CYS A 61 -17.008 8.392 0.470 1.00 0.00 C ATOM 929 C CYS A 61 -16.691 8.014 1.913 1.00 0.00 C ATOM 930 O CYS A 61 -16.635 8.873 2.792 1.00 0.00 O ATOM 931 CB CYS A 61 -18.450 8.005 0.135 1.00 0.00 C ATOM 932 SG CYS A 61 -19.697 9.053 0.920 1.00 0.00 S ATOM 0 H CYS A 61 -16.151 6.726 -0.474 1.00 0.00 H new ATOM 0 HA CYS A 61 -16.893 9.471 0.362 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -18.584 8.047 -0.946 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -18.617 6.971 0.437 1.00 0.00 H new ATOM 0 HG CYS A 61 -20.883 8.649 0.575 1.00 0.00 H new ATOM 938 N ASN A 62 -16.485 6.722 2.149 1.00 0.00 N ATOM 939 CA ASN A 62 -16.176 6.230 3.487 1.00 0.00 C ATOM 940 C ASN A 62 -14.748 5.696 3.552 1.00 0.00 C ATOM 941 O ASN A 62 -14.505 4.514 3.313 1.00 0.00 O ATOM 942 CB ASN A 62 -17.162 5.131 3.889 1.00 0.00 C ATOM 943 CG ASN A 62 -17.247 4.954 5.394 1.00 0.00 C ATOM 944 OD1 ASN A 62 -16.873 3.910 5.928 1.00 0.00 O ATOM 945 ND2 ASN A 62 -17.741 5.976 6.083 1.00 0.00 N ATOM 0 H ASN A 62 -16.526 5.998 1.432 1.00 0.00 H new ATOM 0 HA ASN A 62 -16.267 7.063 4.184 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -18.150 5.372 3.498 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -16.859 4.189 3.431 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -17.823 5.915 7.098 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -18.039 6.822 5.597 1.00 0.00 H new ATOM 952 N ALA A 63 -13.808 6.576 3.880 1.00 0.00 N ATOM 953 CA ALA A 63 -12.405 6.192 3.980 1.00 0.00 C ATOM 954 C ALA A 63 -12.220 5.031 4.950 1.00 0.00 C ATOM 955 O ALA A 63 -11.692 3.981 4.584 1.00 0.00 O ATOM 956 CB ALA A 63 -11.563 7.384 4.415 1.00 0.00 C ATOM 0 H ALA A 63 -13.992 7.559 4.081 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.073 5.864 2.995 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.517 7.084 4.486 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.662 8.186 3.683 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.906 7.736 5.388 1.00 0.00 H new ATOM 962 N HIS A 64 -12.660 5.225 6.190 1.00 0.00 N ATOM 963 CA HIS A 64 -12.543 4.192 7.213 1.00 0.00 C ATOM 964 C HIS A 64 -12.831 2.812 6.627 1.00 0.00 C ATOM 965 O HIS A 64 -12.192 1.826 6.994 1.00 0.00 O ATOM 966 CB HIS A 64 -13.503 4.478 8.368 1.00 0.00 C ATOM 967 CG HIS A 64 -13.255 3.629 9.577 1.00 0.00 C ATOM 968 ND1 HIS A 64 -14.078 2.803 10.263 1.00 0.00 N flip ATOM 969 CD2 HIS A 64 -12.035 3.571 10.217 1.00 0.00 C flip ATOM 970 CE1 HIS A 64 -13.349 2.265 11.295 1.00 0.00 C flip ATOM 971 NE2 HIS A 64 -12.119 2.744 11.245 1.00 0.00 N flip ATOM 0 H HIS A 64 -13.100 6.088 6.510 1.00 0.00 H new ATOM 0 HA HIS A 64 -11.520 4.202 7.589 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -13.419 5.528 8.648 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.526 4.320 8.027 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -11.150 4.116 9.924 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -13.721 1.564 12.028 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -11.363 2.515 11.890 1.00 0.00 H new ATOM 980 N TYR A 65 -13.796 2.751 5.716 1.00 0.00 N ATOM 981 CA TYR A 65 -14.169 1.492 5.082 1.00 0.00 C ATOM 982 C TYR A 65 -13.145 1.089 4.026 1.00 0.00 C ATOM 983 O TYR A 65 -12.837 -0.091 3.863 1.00 0.00 O ATOM 984 CB TYR A 65 -15.555 1.609 4.446 1.00 0.00 C ATOM 985 CG TYR A 65 -15.941 0.409 3.611 1.00 0.00 C ATOM 986 CD1 TYR A 65 -15.389 0.206 2.353 1.00 0.00 C ATOM 987 CD2 TYR A 65 -16.859 -0.522 4.081 1.00 0.00 C ATOM 988 CE1 TYR A 65 -15.739 -0.888 1.586 1.00 0.00 C ATOM 989 CE2 TYR A 65 -17.215 -1.621 3.322 1.00 0.00 C ATOM 990 CZ TYR A 65 -16.652 -1.798 2.075 1.00 0.00 C ATOM 991 OH TYR A 65 -17.003 -2.890 1.315 1.00 0.00 O ATOM 0 H TYR A 65 -14.334 3.558 5.400 1.00 0.00 H new ATOM 0 HA TYR A 65 -14.193 0.720 5.851 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -16.296 1.747 5.233 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -15.584 2.501 3.820 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -14.673 0.917 1.967 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -17.302 -0.385 5.056 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.300 -1.030 0.609 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -17.929 -2.336 3.703 1.00 0.00 H new ATOM 0 HH TYR A 65 -17.656 -3.433 1.804 1.00 0.00 H new ATOM 1001 N ASN A 66 -12.619 2.079 3.312 1.00 0.00 N ATOM 1002 CA ASN A 66 -11.629 1.828 2.272 1.00 0.00 C ATOM 1003 C ASN A 66 -10.305 1.372 2.878 1.00 0.00 C ATOM 1004 O ASN A 66 -9.576 0.580 2.281 1.00 0.00 O ATOM 1005 CB ASN A 66 -11.410 3.090 1.433 1.00 0.00 C ATOM 1006 CG ASN A 66 -12.648 3.487 0.653 1.00 0.00 C ATOM 1007 OD1 ASN A 66 -13.307 2.645 0.042 1.00 0.00 O ATOM 1008 ND2 ASN A 66 -12.970 4.775 0.670 1.00 0.00 N ATOM 0 H ASN A 66 -12.862 3.062 3.435 1.00 0.00 H new ATOM 0 HA ASN A 66 -12.007 1.032 1.630 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.117 3.911 2.087 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.585 2.924 0.740 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -13.793 5.102 0.163 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -12.395 5.438 1.190 1.00 0.00 H new ATOM 1015 N LEU A 67 -10.002 1.876 4.070 1.00 0.00 N ATOM 1016 CA LEU A 67 -8.767 1.520 4.759 1.00 0.00 C ATOM 1017 C LEU A 67 -8.888 0.151 5.421 1.00 0.00 C ATOM 1018 O LEU A 67 -8.215 -0.800 5.026 1.00 0.00 O ATOM 1019 CB LEU A 67 -8.422 2.578 5.808 1.00 0.00 C ATOM 1020 CG LEU A 67 -8.108 3.976 5.275 1.00 0.00 C ATOM 1021 CD1 LEU A 67 -8.275 5.016 6.372 1.00 0.00 C ATOM 1022 CD2 LEU A 67 -6.699 4.024 4.701 1.00 0.00 C ATOM 0 H LEU A 67 -10.595 2.532 4.579 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.967 1.476 4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.257 2.656 6.504 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.562 2.227 6.379 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.812 4.206 4.476 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.047 6.005 5.974 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.302 4.999 6.736 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.595 4.790 7.194 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.493 5.027 4.326 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.980 3.773 5.481 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.614 3.307 3.884 1.00 0.00 H new ATOM 1034 N GLN A 68 -9.751 0.060 6.427 1.00 0.00 N ATOM 1035 CA GLN A 68 -9.961 -1.193 7.142 1.00 0.00 C ATOM 1036 C GLN A 68 -10.077 -2.362 6.170 1.00 0.00 C ATOM 1037 O GLN A 68 -9.485 -3.419 6.381 1.00 0.00 O ATOM 1038 CB GLN A 68 -11.219 -1.106 8.008 1.00 0.00 C ATOM 1039 CG GLN A 68 -12.511 -1.118 7.206 1.00 0.00 C ATOM 1040 CD GLN A 68 -13.696 -0.608 8.001 1.00 0.00 C ATOM 1041 OE1 GLN A 68 -13.638 0.464 8.606 1.00 0.00 O ATOM 1042 NE2 GLN A 68 -14.781 -1.373 8.004 1.00 0.00 N ATOM 0 H GLN A 68 -10.316 0.839 6.765 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.098 -1.364 7.785 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.227 -1.942 8.707 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.178 -0.193 8.603 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.386 -0.505 6.314 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.715 -2.134 6.868 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.786 -2.254 7.489 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.610 -1.080 8.521 1.00 0.00 H new ATOM 1051 N ASN A 69 -10.846 -2.164 5.103 1.00 0.00 N ATOM 1052 CA ASN A 69 -11.041 -3.202 4.098 1.00 0.00 C ATOM 1053 C ASN A 69 -9.703 -3.691 3.554 1.00 0.00 C ATOM 1054 O ASN A 69 -9.423 -4.888 3.549 1.00 0.00 O ATOM 1055 CB ASN A 69 -11.910 -2.676 2.953 1.00 0.00 C ATOM 1056 CG ASN A 69 -12.025 -3.667 1.812 1.00 0.00 C ATOM 1057 OD1 ASN A 69 -10.972 -3.770 1.008 1.00 0.00 O flip ATOM 1058 ND2 ASN A 69 -13.048 -4.333 1.654 1.00 0.00 N flip ATOM 0 H ASN A 69 -11.344 -1.294 4.913 1.00 0.00 H new ATOM 0 HA ASN A 69 -11.548 -4.042 4.573 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.906 -2.446 3.332 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -11.488 -1.743 2.579 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -13.833 -4.222 2.296 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -13.111 -4.996 0.881 1.00 0.00 H new ATOM 1065 N ALA A 70 -8.878 -2.754 3.096 1.00 0.00 N ATOM 1066 CA ALA A 70 -7.569 -3.088 2.552 1.00 0.00 C ATOM 1067 C ALA A 70 -6.709 -3.802 3.589 1.00 0.00 C ATOM 1068 O ALA A 70 -6.140 -4.860 3.316 1.00 0.00 O ATOM 1069 CB ALA A 70 -6.867 -1.832 2.057 1.00 0.00 C ATOM 0 H ALA A 70 -9.094 -1.757 3.091 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.715 -3.765 1.711 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.890 -2.097 1.653 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.467 -1.363 1.277 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.741 -1.135 2.886 1.00 0.00 H new ATOM 1075 N PHE A 71 -6.620 -3.220 4.780 1.00 0.00 N ATOM 1076 CA PHE A 71 -5.827 -3.800 5.857 1.00 0.00 C ATOM 1077 C PHE A 71 -6.247 -5.243 6.124 1.00 0.00 C ATOM 1078 O PHE A 71 -5.406 -6.135 6.229 1.00 0.00 O ATOM 1079 CB PHE A 71 -5.978 -2.970 7.134 1.00 0.00 C ATOM 1080 CG PHE A 71 -5.336 -1.615 7.046 1.00 0.00 C ATOM 1081 CD1 PHE A 71 -4.068 -1.468 6.507 1.00 0.00 C ATOM 1082 CD2 PHE A 71 -6.001 -0.488 7.503 1.00 0.00 C ATOM 1083 CE1 PHE A 71 -3.475 -0.222 6.427 1.00 0.00 C ATOM 1084 CE2 PHE A 71 -5.412 0.761 7.425 1.00 0.00 C ATOM 1085 CZ PHE A 71 -4.148 0.894 6.885 1.00 0.00 C ATOM 0 H PHE A 71 -7.087 -2.347 5.024 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.781 -3.794 5.549 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -7.038 -2.847 7.355 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.540 -3.518 7.968 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -3.537 -2.336 6.145 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -6.990 -0.586 7.925 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -2.485 -0.121 6.006 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.940 1.631 7.786 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.687 1.868 6.821 1.00 0.00 H new ATOM 1095 N ASN A 72 -7.553 -5.463 6.232 1.00 0.00 N ATOM 1096 CA ASN A 72 -8.085 -6.797 6.487 1.00 0.00 C ATOM 1097 C ASN A 72 -7.708 -7.756 5.362 1.00 0.00 C ATOM 1098 O ASN A 72 -7.227 -8.863 5.611 1.00 0.00 O ATOM 1099 CB ASN A 72 -9.607 -6.741 6.637 1.00 0.00 C ATOM 1100 CG ASN A 72 -10.042 -5.871 7.800 1.00 0.00 C ATOM 1101 OD1 ASN A 72 -11.013 -4.998 7.555 1.00 0.00 O flip ATOM 1102 ND2 ASN A 72 -9.512 -5.983 8.906 1.00 0.00 N flip ATOM 0 H ASN A 72 -8.262 -4.735 6.147 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.649 -7.165 7.416 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.046 -6.358 5.716 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.993 -7.751 6.778 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.769 -6.667 9.049 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.816 -5.391 9.679 1.00 0.00 H new ATOM 1109 N LEU A 73 -7.930 -7.327 4.126 1.00 0.00 N ATOM 1110 CA LEU A 73 -7.614 -8.147 2.961 1.00 0.00 C ATOM 1111 C LEU A 73 -6.145 -8.561 2.970 1.00 0.00 C ATOM 1112 O LEU A 73 -5.817 -9.727 2.748 1.00 0.00 O ATOM 1113 CB LEU A 73 -7.932 -7.386 1.674 1.00 0.00 C ATOM 1114 CG LEU A 73 -9.393 -7.412 1.223 1.00 0.00 C ATOM 1115 CD1 LEU A 73 -9.573 -6.595 -0.047 1.00 0.00 C ATOM 1116 CD2 LEU A 73 -9.857 -8.845 1.006 1.00 0.00 C ATOM 0 H LEU A 73 -8.328 -6.415 3.903 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.228 -9.047 3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.632 -6.347 1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.318 -7.795 0.872 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.005 -6.967 2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.619 -6.625 -0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.279 -5.562 0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.951 -7.012 -0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.899 -8.846 0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.241 -9.315 0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.764 -9.403 1.938 1.00 0.00 H new ATOM 1128 N ALA A 74 -5.266 -7.600 3.233 1.00 0.00 N ATOM 1129 CA ALA A 74 -3.834 -7.866 3.275 1.00 0.00 C ATOM 1130 C ALA A 74 -3.460 -8.659 4.523 1.00 0.00 C ATOM 1131 O ALA A 74 -2.523 -9.456 4.505 1.00 0.00 O ATOM 1132 CB ALA A 74 -3.052 -6.561 3.223 1.00 0.00 C ATOM 0 H ALA A 74 -5.521 -6.630 3.420 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.575 -8.466 2.403 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.984 -6.775 3.255 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.288 -6.032 2.300 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.323 -5.940 4.077 1.00 0.00 H new ATOM 1138 N GLU A 75 -4.196 -8.431 5.606 1.00 0.00 N ATOM 1139 CA GLU A 75 -3.939 -9.124 6.863 1.00 0.00 C ATOM 1140 C GLU A 75 -4.505 -10.542 6.829 1.00 0.00 C ATOM 1141 O GLU A 75 -4.210 -11.362 7.698 1.00 0.00 O ATOM 1142 CB GLU A 75 -4.549 -8.349 8.033 1.00 0.00 C ATOM 1143 CG GLU A 75 -3.962 -8.723 9.384 1.00 0.00 C ATOM 1144 CD GLU A 75 -4.944 -8.526 10.522 1.00 0.00 C ATOM 1145 OE1 GLU A 75 -6.116 -8.197 10.242 1.00 0.00 O ATOM 1146 OE2 GLU A 75 -4.541 -8.701 11.690 1.00 0.00 O ATOM 0 H GLU A 75 -4.974 -7.772 5.638 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.859 -9.185 7.000 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.403 -7.282 7.866 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.625 -8.525 8.053 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.643 -9.765 9.361 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.072 -8.121 9.569 1.00 0.00 H new ATOM 1153 N LYS A 76 -5.319 -10.823 5.817 1.00 0.00 N ATOM 1154 CA LYS A 76 -5.926 -12.140 5.666 1.00 0.00 C ATOM 1155 C LYS A 76 -5.398 -12.843 4.420 1.00 0.00 C ATOM 1156 O LYS A 76 -4.759 -13.891 4.513 1.00 0.00 O ATOM 1157 CB LYS A 76 -7.450 -12.016 5.588 1.00 0.00 C ATOM 1158 CG LYS A 76 -8.176 -13.343 5.721 1.00 0.00 C ATOM 1159 CD LYS A 76 -8.118 -13.870 7.146 1.00 0.00 C ATOM 1160 CE LYS A 76 -9.032 -13.081 8.070 1.00 0.00 C ATOM 1161 NZ LYS A 76 -8.340 -11.902 8.662 1.00 0.00 N ATOM 0 H LYS A 76 -5.574 -10.156 5.089 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.660 -12.737 6.538 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.792 -11.344 6.375 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.721 -11.557 4.637 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.216 -13.222 5.419 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.731 -14.072 5.044 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.406 -14.921 7.158 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.093 -13.816 7.513 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.908 -12.747 7.515 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.390 -13.731 8.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.396 -11.952 9.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.342 -11.901 8.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.798 -11.029 8.332 1.00 0.00 H new ATOM 1175 N GLU A 77 -5.669 -12.260 3.258 1.00 0.00 N ATOM 1176 CA GLU A 77 -5.219 -12.831 1.993 1.00 0.00 C ATOM 1177 C GLU A 77 -3.700 -12.979 1.973 1.00 0.00 C ATOM 1178 O GLU A 77 -3.174 -14.085 1.838 1.00 0.00 O ATOM 1179 CB GLU A 77 -5.673 -11.959 0.822 1.00 0.00 C ATOM 1180 CG GLU A 77 -7.173 -11.713 0.792 1.00 0.00 C ATOM 1181 CD GLU A 77 -7.954 -12.929 0.333 1.00 0.00 C ATOM 1182 OE1 GLU A 77 -7.503 -13.596 -0.623 1.00 0.00 O ATOM 1183 OE2 GLU A 77 -9.013 -13.214 0.929 1.00 0.00 O ATOM 0 H GLU A 77 -6.198 -11.393 3.165 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.665 -13.820 1.892 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.157 -11.000 0.872 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.372 -12.434 -0.112 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.510 -11.424 1.787 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.387 -10.876 0.127 1.00 0.00 H new ATOM 1190 N LEU A 78 -3.001 -11.858 2.107 1.00 0.00 N ATOM 1191 CA LEU A 78 -1.542 -11.861 2.103 1.00 0.00 C ATOM 1192 C LEU A 78 -0.995 -12.432 3.407 1.00 0.00 C ATOM 1193 O LEU A 78 -0.016 -13.177 3.408 1.00 0.00 O ATOM 1194 CB LEU A 78 -1.010 -10.441 1.893 1.00 0.00 C ATOM 1195 CG LEU A 78 -1.662 -9.642 0.764 1.00 0.00 C ATOM 1196 CD1 LEU A 78 -1.250 -8.180 0.840 1.00 0.00 C ATOM 1197 CD2 LEU A 78 -1.294 -10.231 -0.590 1.00 0.00 C ATOM 0 H LEU A 78 -3.420 -10.935 2.220 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.207 -12.494 1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.134 -9.886 2.823 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.061 -10.500 1.698 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.744 -9.702 0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.723 -7.626 0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.565 -7.763 1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.167 -8.102 0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.767 -9.649 -1.381 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.212 -10.203 -0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.639 -11.264 -0.643 1.00 0.00 H new ATOM 1209 N GLY A 79 -1.637 -12.080 4.517 1.00 0.00 N ATOM 1210 CA GLY A 79 -1.202 -12.569 5.812 1.00 0.00 C ATOM 1211 C GLY A 79 -0.161 -11.671 6.450 1.00 0.00 C ATOM 1212 O GLY A 79 0.839 -12.151 6.988 1.00 0.00 O ATOM 0 H GLY A 79 -2.450 -11.465 4.542 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.064 -12.649 6.475 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.792 -13.573 5.699 1.00 0.00 H new ATOM 1216 N LEU A 80 -0.391 -10.364 6.391 1.00 0.00 N ATOM 1217 CA LEU A 80 0.536 -9.396 6.967 1.00 0.00 C ATOM 1218 C LEU A 80 0.024 -8.883 8.310 1.00 0.00 C ATOM 1219 O LEU A 80 -1.166 -8.982 8.612 1.00 0.00 O ATOM 1220 CB LEU A 80 0.743 -8.225 6.006 1.00 0.00 C ATOM 1221 CG LEU A 80 1.488 -8.544 4.709 1.00 0.00 C ATOM 1222 CD1 LEU A 80 1.171 -7.506 3.643 1.00 0.00 C ATOM 1223 CD2 LEU A 80 2.987 -8.612 4.960 1.00 0.00 C ATOM 0 H LEU A 80 -1.212 -9.950 5.950 1.00 0.00 H new ATOM 0 HA LEU A 80 1.490 -9.897 7.131 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.234 -7.815 5.749 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.289 -7.442 6.532 1.00 0.00 H new ATOM 0 HG LEU A 80 1.155 -9.518 4.350 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.710 -7.749 2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.099 -7.504 3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.477 -6.520 3.993 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.502 -8.840 4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.336 -7.653 5.342 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.198 -9.392 5.691 1.00 0.00 H new ATOM 1235 N THR A 81 0.930 -8.334 9.112 1.00 0.00 N ATOM 1236 CA THR A 81 0.571 -7.804 10.422 1.00 0.00 C ATOM 1237 C THR A 81 0.286 -6.309 10.350 1.00 0.00 C ATOM 1238 O THR A 81 1.181 -5.506 10.087 1.00 0.00 O ATOM 1239 CB THR A 81 1.687 -8.053 11.453 1.00 0.00 C ATOM 1240 OG1 THR A 81 1.981 -9.453 11.529 1.00 0.00 O ATOM 1241 CG2 THR A 81 1.278 -7.541 12.827 1.00 0.00 C ATOM 0 H THR A 81 1.919 -8.244 8.878 1.00 0.00 H new ATOM 0 HA THR A 81 -0.330 -8.328 10.739 1.00 0.00 H new ATOM 0 HB THR A 81 2.577 -7.512 11.130 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.693 -9.603 12.186 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.082 -7.728 13.539 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.083 -6.470 12.773 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.376 -8.058 13.154 1.00 0.00 H new ATOM 1249 N LYS A 82 -0.968 -5.938 10.588 1.00 0.00 N ATOM 1250 CA LYS A 82 -1.373 -4.538 10.553 1.00 0.00 C ATOM 1251 C LYS A 82 -0.659 -3.738 11.638 1.00 0.00 C ATOM 1252 O LYS A 82 -0.930 -3.908 12.828 1.00 0.00 O ATOM 1253 CB LYS A 82 -2.889 -4.419 10.730 1.00 0.00 C ATOM 1254 CG LYS A 82 -3.677 -4.784 9.484 1.00 0.00 C ATOM 1255 CD LYS A 82 -5.071 -5.280 9.832 1.00 0.00 C ATOM 1256 CE LYS A 82 -5.872 -4.218 10.568 1.00 0.00 C ATOM 1257 NZ LYS A 82 -5.729 -4.340 12.046 1.00 0.00 N ATOM 0 H LYS A 82 -1.722 -6.589 10.807 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.094 -4.129 9.582 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.202 -5.065 11.550 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.134 -3.397 11.018 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.752 -3.914 8.832 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.144 -5.555 8.928 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.595 -5.566 8.920 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.996 -6.175 10.450 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -5.541 -3.229 10.252 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.924 -4.304 10.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -6.597 -4.002 12.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -5.568 -5.336 12.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.922 -3.767 12.365 1.00 0.00 H new ATOM 1271 N LEU A 83 0.251 -2.865 11.221 1.00 0.00 N ATOM 1272 CA LEU A 83 1.003 -2.038 12.158 1.00 0.00 C ATOM 1273 C LEU A 83 0.231 -0.768 12.502 1.00 0.00 C ATOM 1274 O LEU A 83 0.339 -0.245 13.613 1.00 0.00 O ATOM 1275 CB LEU A 83 2.366 -1.675 11.568 1.00 0.00 C ATOM 1276 CG LEU A 83 3.066 -2.775 10.767 1.00 0.00 C ATOM 1277 CD1 LEU A 83 4.148 -2.182 9.878 1.00 0.00 C ATOM 1278 CD2 LEU A 83 3.654 -3.822 11.700 1.00 0.00 C ATOM 0 H LEU A 83 0.486 -2.711 10.240 1.00 0.00 H new ATOM 0 HA LEU A 83 1.151 -2.611 13.073 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.240 -0.807 10.921 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.023 -1.373 12.383 1.00 0.00 H new ATOM 0 HG LEU A 83 2.327 -3.260 10.130 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.635 -2.979 9.316 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.700 -1.471 9.184 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.886 -1.670 10.495 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.148 -4.596 11.113 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.380 -3.352 12.364 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.857 -4.270 12.293 1.00 0.00 H new ATOM 1290 N LEU A 84 -0.549 -0.278 11.545 1.00 0.00 N ATOM 1291 CA LEU A 84 -1.341 0.930 11.748 1.00 0.00 C ATOM 1292 C LEU A 84 -2.826 0.598 11.842 1.00 0.00 C ATOM 1293 O LEU A 84 -3.218 -0.567 11.771 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.099 1.920 10.607 1.00 0.00 C ATOM 1295 CG LEU A 84 0.363 2.189 10.250 1.00 0.00 C ATOM 1296 CD1 LEU A 84 0.468 2.825 8.873 1.00 0.00 C ATOM 1297 CD2 LEU A 84 1.013 3.078 11.301 1.00 0.00 C ATOM 0 H LEU A 84 -0.650 -0.698 10.621 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.029 1.385 12.688 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.607 1.549 9.717 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.568 2.868 10.870 1.00 0.00 H new ATOM 0 HG LEU A 84 0.893 1.237 10.229 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.516 3.009 8.636 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.040 2.154 8.129 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.077 3.769 8.866 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.053 3.259 11.031 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.481 4.028 11.354 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.971 2.584 12.272 1.00 0.00 H new ATOM 1309 N ASP A 85 -3.649 1.629 12.000 1.00 0.00 N ATOM 1310 CA ASP A 85 -5.093 1.446 12.100 1.00 0.00 C ATOM 1311 C ASP A 85 -5.823 2.327 11.090 1.00 0.00 C ATOM 1312 O ASP A 85 -5.338 3.384 10.686 1.00 0.00 O ATOM 1313 CB ASP A 85 -5.572 1.768 13.516 1.00 0.00 C ATOM 1314 CG ASP A 85 -5.422 0.590 14.460 1.00 0.00 C ATOM 1315 OD1 ASP A 85 -4.337 0.449 15.063 1.00 0.00 O ATOM 1316 OD2 ASP A 85 -6.387 -0.188 14.595 1.00 0.00 O ATOM 0 H ASP A 85 -3.341 2.600 12.062 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.319 0.403 11.877 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.006 2.615 13.904 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.618 2.072 13.482 1.00 0.00 H new ATOM 1321 N PRO A 86 -7.017 1.882 10.671 1.00 0.00 N ATOM 1322 CA PRO A 86 -7.840 2.614 9.703 1.00 0.00 C ATOM 1323 C PRO A 86 -8.413 3.902 10.286 1.00 0.00 C ATOM 1324 O PRO A 86 -8.957 4.734 9.561 1.00 0.00 O ATOM 1325 CB PRO A 86 -8.963 1.629 9.375 1.00 0.00 C ATOM 1326 CG PRO A 86 -9.057 0.748 10.573 1.00 0.00 C ATOM 1327 CD PRO A 86 -7.658 0.632 11.111 1.00 0.00 C ATOM 0 HA PRO A 86 -7.263 2.928 8.833 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -9.904 2.148 9.191 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.735 1.054 8.478 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -9.728 1.174 11.319 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -9.456 -0.231 10.307 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -7.652 0.538 12.197 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.146 -0.244 10.713 1.00 0.00 H new ATOM 1335 N GLU A 87 -8.287 4.059 11.601 1.00 0.00 N ATOM 1336 CA GLU A 87 -8.794 5.245 12.279 1.00 0.00 C ATOM 1337 C GLU A 87 -7.648 6.154 12.716 1.00 0.00 C ATOM 1338 O GLU A 87 -7.862 7.311 13.078 1.00 0.00 O ATOM 1339 CB GLU A 87 -9.634 4.845 13.495 1.00 0.00 C ATOM 1340 CG GLU A 87 -8.917 3.900 14.444 1.00 0.00 C ATOM 1341 CD GLU A 87 -9.724 3.606 15.695 1.00 0.00 C ATOM 1342 OE1 GLU A 87 -10.198 4.568 16.335 1.00 0.00 O ATOM 1343 OE2 GLU A 87 -9.883 2.415 16.032 1.00 0.00 O ATOM 0 H GLU A 87 -7.839 3.380 12.216 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.422 5.793 11.576 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.922 5.744 14.039 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.554 4.373 13.151 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.702 2.965 13.926 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.959 4.334 14.728 1.00 0.00 H new ATOM 1350 N ASP A 88 -6.432 5.620 12.680 1.00 0.00 N ATOM 1351 CA ASP A 88 -5.252 6.382 13.070 1.00 0.00 C ATOM 1352 C ASP A 88 -4.610 7.052 11.859 1.00 0.00 C ATOM 1353 O ASP A 88 -4.090 8.164 11.953 1.00 0.00 O ATOM 1354 CB ASP A 88 -4.236 5.471 13.761 1.00 0.00 C ATOM 1355 CG ASP A 88 -4.498 5.332 15.248 1.00 0.00 C ATOM 1356 OD1 ASP A 88 -4.361 6.342 15.970 1.00 0.00 O ATOM 1357 OD2 ASP A 88 -4.840 4.215 15.689 1.00 0.00 O ATOM 0 H ASP A 88 -6.238 4.663 12.385 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.567 7.159 13.767 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -4.262 4.485 13.297 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.233 5.869 13.608 1.00 0.00 H new ATOM 1362 N VAL A 89 -4.652 6.367 10.720 1.00 0.00 N ATOM 1363 CA VAL A 89 -4.076 6.895 9.489 1.00 0.00 C ATOM 1364 C VAL A 89 -4.992 7.938 8.857 1.00 0.00 C ATOM 1365 O VAL A 89 -4.526 8.934 8.305 1.00 0.00 O ATOM 1366 CB VAL A 89 -3.812 5.774 8.467 1.00 0.00 C ATOM 1367 CG1 VAL A 89 -3.379 6.360 7.131 1.00 0.00 C ATOM 1368 CG2 VAL A 89 -2.765 4.806 8.997 1.00 0.00 C ATOM 0 H VAL A 89 -5.079 5.446 10.625 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.129 7.362 9.758 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.739 5.222 8.312 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.197 5.553 6.422 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.165 7.010 6.747 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.464 6.937 7.266 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.591 4.020 8.262 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.834 5.342 9.182 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.119 4.361 9.927 1.00 0.00 H new ATOM 1378 N ASN A 90 -6.296 7.703 8.944 1.00 0.00 N ATOM 1379 CA ASN A 90 -7.278 8.622 8.380 1.00 0.00 C ATOM 1380 C ASN A 90 -7.310 9.931 9.163 1.00 0.00 C ATOM 1381 O ASN A 90 -8.184 10.144 10.004 1.00 0.00 O ATOM 1382 CB ASN A 90 -8.667 7.982 8.381 1.00 0.00 C ATOM 1383 CG ASN A 90 -9.733 8.911 7.833 1.00 0.00 C ATOM 1384 OD1 ASN A 90 -9.484 10.094 7.606 1.00 0.00 O ATOM 1385 ND2 ASN A 90 -10.931 8.377 7.620 1.00 0.00 N ATOM 0 H ASN A 90 -6.698 6.884 9.400 1.00 0.00 H new ATOM 0 HA ASN A 90 -6.986 8.839 7.353 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -8.644 7.069 7.786 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.930 7.692 9.398 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -11.689 8.954 7.254 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -11.093 7.391 7.823 1.00 0.00 H new ATOM 1392 N VAL A 91 -6.350 10.807 8.880 1.00 0.00 N ATOM 1393 CA VAL A 91 -6.267 12.096 9.555 1.00 0.00 C ATOM 1394 C VAL A 91 -5.758 13.179 8.612 1.00 0.00 C ATOM 1395 O VAL A 91 -5.239 12.885 7.535 1.00 0.00 O ATOM 1396 CB VAL A 91 -5.344 12.027 10.786 1.00 0.00 C ATOM 1397 CG1 VAL A 91 -3.891 11.894 10.357 1.00 0.00 C ATOM 1398 CG2 VAL A 91 -5.538 13.252 11.667 1.00 0.00 C ATOM 0 H VAL A 91 -5.619 10.646 8.187 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.276 12.348 9.881 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.609 11.144 11.368 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.254 11.847 11.240 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.767 10.984 9.771 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.610 12.756 9.752 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.878 13.186 12.532 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.302 14.151 11.098 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.574 13.298 12.004 1.00 0.00 H new ATOM 1408 N ASP A 92 -5.909 14.434 9.023 1.00 0.00 N ATOM 1409 CA ASP A 92 -5.463 15.563 8.215 1.00 0.00 C ATOM 1410 C ASP A 92 -3.983 15.431 7.868 1.00 0.00 C ATOM 1411 O ASP A 92 -3.604 15.484 6.699 1.00 0.00 O ATOM 1412 CB ASP A 92 -5.711 16.877 8.956 1.00 0.00 C ATOM 1413 CG ASP A 92 -7.113 17.410 8.734 1.00 0.00 C ATOM 1414 OD1 ASP A 92 -8.041 16.949 9.433 1.00 0.00 O ATOM 1415 OD2 ASP A 92 -7.282 18.290 7.865 1.00 0.00 O ATOM 0 H ASP A 92 -6.337 14.695 9.911 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.036 15.564 7.288 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.547 16.726 10.023 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.986 17.620 8.625 1.00 0.00 H new ATOM 1420 N GLN A 93 -3.153 15.261 8.893 1.00 0.00 N ATOM 1421 CA GLN A 93 -1.715 15.124 8.696 1.00 0.00 C ATOM 1422 C GLN A 93 -1.157 13.981 9.537 1.00 0.00 C ATOM 1423 O GLN A 93 -0.687 14.175 10.658 1.00 0.00 O ATOM 1424 CB GLN A 93 -1.003 16.430 9.052 1.00 0.00 C ATOM 1425 CG GLN A 93 -1.217 17.537 8.033 1.00 0.00 C ATOM 1426 CD GLN A 93 -0.529 18.830 8.423 1.00 0.00 C ATOM 1427 OE1 GLN A 93 0.478 18.822 9.132 1.00 0.00 O ATOM 1428 NE2 GLN A 93 -1.068 19.952 7.960 1.00 0.00 N ATOM 0 H GLN A 93 -3.452 15.215 9.867 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.538 14.897 7.645 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.354 16.771 10.026 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.066 16.237 9.148 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -0.844 17.210 7.063 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.286 17.719 7.919 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.903 19.913 7.375 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.647 20.852 8.189 1.00 0.00 H new ATOM 1437 N PRO A 94 -1.208 12.760 8.985 1.00 0.00 N ATOM 1438 CA PRO A 94 -0.712 11.561 9.668 1.00 0.00 C ATOM 1439 C PRO A 94 0.808 11.550 9.787 1.00 0.00 C ATOM 1440 O PRO A 94 1.469 12.552 9.513 1.00 0.00 O ATOM 1441 CB PRO A 94 -1.186 10.417 8.767 1.00 0.00 C ATOM 1442 CG PRO A 94 -1.327 11.032 7.417 1.00 0.00 C ATOM 1443 CD PRO A 94 -1.755 12.455 7.652 1.00 0.00 C ATOM 0 HA PRO A 94 -1.078 11.494 10.692 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.467 9.598 8.756 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -2.133 10.005 9.115 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.385 10.993 6.870 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.065 10.496 6.819 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.356 13.126 6.891 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.840 12.557 7.630 1.00 0.00 H new ATOM 1451 N ASP A 95 1.356 10.410 10.197 1.00 0.00 N ATOM 1452 CA ASP A 95 2.799 10.268 10.352 1.00 0.00 C ATOM 1453 C ASP A 95 3.390 9.449 9.209 1.00 0.00 C ATOM 1454 O ASP A 95 3.307 8.221 9.206 1.00 0.00 O ATOM 1455 CB ASP A 95 3.128 9.609 11.692 1.00 0.00 C ATOM 1456 CG ASP A 95 3.012 10.574 12.856 1.00 0.00 C ATOM 1457 OD1 ASP A 95 3.753 11.580 12.870 1.00 0.00 O ATOM 1458 OD2 ASP A 95 2.178 10.325 13.752 1.00 0.00 O ATOM 0 H ASP A 95 0.822 9.572 10.428 1.00 0.00 H new ATOM 0 HA ASP A 95 3.242 11.264 10.328 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.456 8.766 11.854 1.00 0.00 H new ATOM 0 HB3 ASP A 95 4.140 9.207 11.657 1.00 0.00 H new ATOM 1463 N GLU A 96 3.985 10.137 8.240 1.00 0.00 N ATOM 1464 CA GLU A 96 4.588 9.471 7.090 1.00 0.00 C ATOM 1465 C GLU A 96 5.544 8.370 7.539 1.00 0.00 C ATOM 1466 O GLU A 96 5.670 7.336 6.883 1.00 0.00 O ATOM 1467 CB GLU A 96 5.332 10.484 6.218 1.00 0.00 C ATOM 1468 CG GLU A 96 6.515 11.133 6.915 1.00 0.00 C ATOM 1469 CD GLU A 96 6.780 12.543 6.424 1.00 0.00 C ATOM 1470 OE1 GLU A 96 5.932 13.426 6.670 1.00 0.00 O ATOM 1471 OE2 GLU A 96 7.835 12.764 5.792 1.00 0.00 O ATOM 0 H GLU A 96 4.063 11.154 8.228 1.00 0.00 H new ATOM 0 HA GLU A 96 3.788 9.017 6.505 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.682 9.985 5.314 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.635 11.261 5.903 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.332 11.155 7.989 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.405 10.524 6.756 1.00 0.00 H new ATOM 1478 N LYS A 97 6.215 8.600 8.662 1.00 0.00 N ATOM 1479 CA LYS A 97 7.161 7.629 9.201 1.00 0.00 C ATOM 1480 C LYS A 97 6.434 6.391 9.717 1.00 0.00 C ATOM 1481 O LYS A 97 6.967 5.282 9.668 1.00 0.00 O ATOM 1482 CB LYS A 97 7.982 8.258 10.329 1.00 0.00 C ATOM 1483 CG LYS A 97 8.758 9.491 9.901 1.00 0.00 C ATOM 1484 CD LYS A 97 10.099 9.121 9.290 1.00 0.00 C ATOM 1485 CE LYS A 97 9.982 8.879 7.793 1.00 0.00 C ATOM 1486 NZ LYS A 97 11.292 9.028 7.101 1.00 0.00 N ATOM 0 H LYS A 97 6.122 9.451 9.217 1.00 0.00 H new ATOM 0 HA LYS A 97 7.832 7.327 8.397 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.314 8.525 11.148 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.680 7.516 10.716 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.172 10.058 9.178 1.00 0.00 H new ATOM 0 HG3 LYS A 97 8.916 10.140 10.762 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.817 9.920 9.475 1.00 0.00 H new ATOM 0 HD3 LYS A 97 10.486 8.225 9.775 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.591 7.877 7.617 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.265 9.581 7.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.168 8.855 6.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 11.654 9.992 7.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 11.970 8.341 7.489 1.00 0.00 H new ATOM 1500 N SER A 98 5.215 6.587 10.209 1.00 0.00 N ATOM 1501 CA SER A 98 4.417 5.486 10.736 1.00 0.00 C ATOM 1502 C SER A 98 3.715 4.736 9.607 1.00 0.00 C ATOM 1503 O SER A 98 3.189 3.641 9.809 1.00 0.00 O ATOM 1504 CB SER A 98 3.383 6.010 11.734 1.00 0.00 C ATOM 1505 OG SER A 98 2.979 4.991 12.631 1.00 0.00 O ATOM 0 H SER A 98 4.758 7.498 10.254 1.00 0.00 H new ATOM 0 HA SER A 98 5.088 4.795 11.247 1.00 0.00 H new ATOM 0 HB2 SER A 98 3.804 6.846 12.293 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.515 6.391 11.197 1.00 0.00 H new ATOM 0 HG SER A 98 2.319 5.351 13.260 1.00 0.00 H new ATOM 1511 N ILE A 99 3.713 5.333 8.420 1.00 0.00 N ATOM 1512 CA ILE A 99 3.078 4.721 7.260 1.00 0.00 C ATOM 1513 C ILE A 99 4.111 4.059 6.353 1.00 0.00 C ATOM 1514 O ILE A 99 4.024 2.865 6.065 1.00 0.00 O ATOM 1515 CB ILE A 99 2.282 5.756 6.443 1.00 0.00 C ATOM 1516 CG1 ILE A 99 1.182 6.380 7.302 1.00 0.00 C ATOM 1517 CG2 ILE A 99 1.689 5.108 5.201 1.00 0.00 C ATOM 1518 CD1 ILE A 99 0.408 7.471 6.595 1.00 0.00 C ATOM 0 H ILE A 99 4.144 6.239 8.237 1.00 0.00 H new ATOM 0 HA ILE A 99 2.392 3.963 7.639 1.00 0.00 H new ATOM 0 HB ILE A 99 2.962 6.547 6.127 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.489 5.599 7.615 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.629 6.791 8.207 1.00 0.00 H new ATOM 0 HG21 ILE A 99 1.129 5.852 4.634 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.491 4.708 4.581 1.00 0.00 H new ATOM 0 HG23 ILE A 99 1.021 4.299 5.496 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.355 7.868 7.264 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.089 8.272 6.306 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -0.068 7.061 5.704 1.00 0.00 H new ATOM 1530 N ILE A 100 5.087 4.843 5.908 1.00 0.00 N ATOM 1531 CA ILE A 100 6.138 4.331 5.036 1.00 0.00 C ATOM 1532 C ILE A 100 6.563 2.927 5.453 1.00 0.00 C ATOM 1533 O ILE A 100 6.809 2.065 4.609 1.00 0.00 O ATOM 1534 CB ILE A 100 7.372 5.252 5.043 1.00 0.00 C ATOM 1535 CG1 ILE A 100 7.011 6.630 4.483 1.00 0.00 C ATOM 1536 CG2 ILE A 100 8.503 4.628 4.240 1.00 0.00 C ATOM 1537 CD1 ILE A 100 7.892 7.744 5.003 1.00 0.00 C ATOM 0 H ILE A 100 5.172 5.833 6.136 1.00 0.00 H new ATOM 0 HA ILE A 100 5.724 4.298 4.028 1.00 0.00 H new ATOM 0 HB ILE A 100 7.708 5.376 6.072 1.00 0.00 H new ATOM 0 HG12 ILE A 100 7.080 6.601 3.396 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.973 6.853 4.730 1.00 0.00 H new ATOM 0 HG21 ILE A 100 9.368 5.291 4.254 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.774 3.668 4.679 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.178 4.477 3.210 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.578 8.691 4.564 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.805 7.801 6.088 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.929 7.544 4.732 1.00 0.00 H new ATOM 1549 N THR A 101 6.647 2.704 6.760 1.00 0.00 N ATOM 1550 CA THR A 101 7.041 1.404 7.290 1.00 0.00 C ATOM 1551 C THR A 101 6.036 0.325 6.904 1.00 0.00 C ATOM 1552 O THR A 101 6.414 -0.751 6.440 1.00 0.00 O ATOM 1553 CB THR A 101 7.175 1.440 8.824 1.00 0.00 C ATOM 1554 OG1 THR A 101 7.985 2.552 9.219 1.00 0.00 O ATOM 1555 CG2 THR A 101 7.788 0.149 9.344 1.00 0.00 C ATOM 0 H THR A 101 6.447 3.407 7.472 1.00 0.00 H new ATOM 0 HA THR A 101 8.011 1.166 6.853 1.00 0.00 H new ATOM 0 HB THR A 101 6.178 1.548 9.251 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.424 3.351 9.303 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.873 0.198 10.430 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.153 -0.693 9.067 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.778 0.015 8.909 1.00 0.00 H new ATOM 1563 N TYR A 102 4.755 0.620 7.096 1.00 0.00 N ATOM 1564 CA TYR A 102 3.696 -0.326 6.768 1.00 0.00 C ATOM 1565 C TYR A 102 3.723 -0.682 5.285 1.00 0.00 C ATOM 1566 O TYR A 102 3.983 -1.827 4.913 1.00 0.00 O ATOM 1567 CB TYR A 102 2.331 0.255 7.141 1.00 0.00 C ATOM 1568 CG TYR A 102 1.212 -0.761 7.113 1.00 0.00 C ATOM 1569 CD1 TYR A 102 0.889 -1.436 5.942 1.00 0.00 C ATOM 1570 CD2 TYR A 102 0.478 -1.048 8.258 1.00 0.00 C ATOM 1571 CE1 TYR A 102 -0.134 -2.364 5.911 1.00 0.00 C ATOM 1572 CE2 TYR A 102 -0.545 -1.975 8.236 1.00 0.00 C ATOM 1573 CZ TYR A 102 -0.847 -2.631 7.061 1.00 0.00 C ATOM 1574 OH TYR A 102 -1.866 -3.556 7.035 1.00 0.00 O ATOM 0 H TYR A 102 4.425 1.507 7.477 1.00 0.00 H new ATOM 0 HA TYR A 102 3.865 -1.236 7.344 1.00 0.00 H new ATOM 0 HB2 TYR A 102 2.391 0.689 8.139 1.00 0.00 H new ATOM 0 HB3 TYR A 102 2.091 1.066 6.454 1.00 0.00 H new ATOM 0 HD1 TYR A 102 1.447 -1.232 5.040 1.00 0.00 H new ATOM 0 HD2 TYR A 102 0.712 -0.537 9.180 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.374 -2.877 4.992 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.106 -2.185 9.135 1.00 0.00 H new ATOM 0 HH TYR A 102 -1.544 -4.408 7.398 1.00 0.00 H new ATOM 1584 N VAL A 103 3.450 0.307 4.441 1.00 0.00 N ATOM 1585 CA VAL A 103 3.443 0.102 2.997 1.00 0.00 C ATOM 1586 C VAL A 103 4.680 -0.669 2.547 1.00 0.00 C ATOM 1587 O VAL A 103 4.618 -1.475 1.618 1.00 0.00 O ATOM 1588 CB VAL A 103 3.383 1.441 2.239 1.00 0.00 C ATOM 1589 CG1 VAL A 103 4.541 2.338 2.646 1.00 0.00 C ATOM 1590 CG2 VAL A 103 3.383 1.203 0.737 1.00 0.00 C ATOM 0 H VAL A 103 3.230 1.260 4.732 1.00 0.00 H new ATOM 0 HA VAL A 103 2.550 -0.478 2.764 1.00 0.00 H new ATOM 0 HB VAL A 103 2.454 1.947 2.503 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.481 3.279 2.100 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.489 2.536 3.717 1.00 0.00 H new ATOM 0 HG13 VAL A 103 5.484 1.843 2.414 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.340 2.160 0.217 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.293 0.676 0.452 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.515 0.603 0.464 1.00 0.00 H new ATOM 1600 N ALA A 104 5.803 -0.416 3.211 1.00 0.00 N ATOM 1601 CA ALA A 104 7.054 -1.088 2.881 1.00 0.00 C ATOM 1602 C ALA A 104 6.847 -2.591 2.737 1.00 0.00 C ATOM 1603 O ALA A 104 7.491 -3.241 1.911 1.00 0.00 O ATOM 1604 CB ALA A 104 8.105 -0.796 3.941 1.00 0.00 C ATOM 0 H ALA A 104 5.872 0.250 3.981 1.00 0.00 H new ATOM 0 HA ALA A 104 7.404 -0.703 1.923 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.034 -1.304 3.682 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.281 0.278 3.992 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.754 -1.153 4.909 1.00 0.00 H new ATOM 1610 N THR A 105 5.946 -3.142 3.545 1.00 0.00 N ATOM 1611 CA THR A 105 5.657 -4.569 3.508 1.00 0.00 C ATOM 1612 C THR A 105 5.059 -4.974 2.166 1.00 0.00 C ATOM 1613 O THR A 105 5.340 -6.058 1.652 1.00 0.00 O ATOM 1614 CB THR A 105 4.687 -4.974 4.634 1.00 0.00 C ATOM 1615 OG1 THR A 105 3.388 -4.426 4.383 1.00 0.00 O ATOM 1616 CG2 THR A 105 5.194 -4.493 5.985 1.00 0.00 C ATOM 0 H THR A 105 5.404 -2.620 4.233 1.00 0.00 H new ATOM 0 HA THR A 105 6.605 -5.088 3.651 1.00 0.00 H new ATOM 0 HB THR A 105 4.624 -6.062 4.654 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.368 -3.488 4.667 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.492 -4.791 6.764 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.169 -4.936 6.186 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.284 -3.407 5.974 1.00 0.00 H new ATOM 1624 N TYR A 106 4.233 -4.100 1.604 1.00 0.00 N ATOM 1625 CA TYR A 106 3.592 -4.367 0.321 1.00 0.00 C ATOM 1626 C TYR A 106 4.628 -4.462 -0.795 1.00 0.00 C ATOM 1627 O TYR A 106 4.412 -5.135 -1.803 1.00 0.00 O ATOM 1628 CB TYR A 106 2.575 -3.273 -0.004 1.00 0.00 C ATOM 1629 CG TYR A 106 1.279 -3.404 0.763 1.00 0.00 C ATOM 1630 CD1 TYR A 106 1.243 -4.033 2.001 1.00 0.00 C ATOM 1631 CD2 TYR A 106 0.091 -2.900 0.249 1.00 0.00 C ATOM 1632 CE1 TYR A 106 0.060 -4.156 2.705 1.00 0.00 C ATOM 1633 CE2 TYR A 106 -1.096 -3.018 0.946 1.00 0.00 C ATOM 1634 CZ TYR A 106 -1.106 -3.646 2.174 1.00 0.00 C ATOM 1635 OH TYR A 106 -2.287 -3.766 2.871 1.00 0.00 O ATOM 0 H TYR A 106 3.991 -3.199 2.017 1.00 0.00 H new ATOM 0 HA TYR A 106 3.074 -5.323 0.395 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.018 -2.301 0.212 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.359 -3.295 -1.072 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.155 -4.433 2.420 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.095 -2.407 -0.712 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.049 -4.649 3.666 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -2.011 -2.621 0.532 1.00 0.00 H new ATOM 0 HH TYR A 106 -3.013 -3.353 2.358 1.00 0.00 H new ATOM 1645 N TYR A 107 5.756 -3.784 -0.607 1.00 0.00 N ATOM 1646 CA TYR A 107 6.825 -3.790 -1.597 1.00 0.00 C ATOM 1647 C TYR A 107 7.804 -4.931 -1.336 1.00 0.00 C ATOM 1648 O TYR A 107 8.294 -5.570 -2.269 1.00 0.00 O ATOM 1649 CB TYR A 107 7.568 -2.453 -1.583 1.00 0.00 C ATOM 1650 CG TYR A 107 8.964 -2.530 -2.160 1.00 0.00 C ATOM 1651 CD1 TYR A 107 9.167 -2.628 -3.531 1.00 0.00 C ATOM 1652 CD2 TYR A 107 10.081 -2.503 -1.332 1.00 0.00 C ATOM 1653 CE1 TYR A 107 10.441 -2.700 -4.061 1.00 0.00 C ATOM 1654 CE2 TYR A 107 11.358 -2.574 -1.854 1.00 0.00 C ATOM 1655 CZ TYR A 107 11.533 -2.672 -3.218 1.00 0.00 C ATOM 1656 OH TYR A 107 12.803 -2.740 -3.743 1.00 0.00 O ATOM 0 H TYR A 107 5.952 -3.224 0.222 1.00 0.00 H new ATOM 0 HA TYR A 107 6.375 -3.939 -2.579 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.991 -1.720 -2.147 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.628 -2.091 -0.557 1.00 0.00 H new ATOM 0 HD1 TYR A 107 8.314 -2.648 -4.194 1.00 0.00 H new ATOM 0 HD2 TYR A 107 9.948 -2.425 -0.263 1.00 0.00 H new ATOM 0 HE1 TYR A 107 10.581 -2.778 -5.129 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.215 -2.553 -1.197 1.00 0.00 H new ATOM 0 HH TYR A 107 13.460 -2.707 -3.016 1.00 0.00 H new ATOM 1666 N HIS A 108 8.083 -5.183 -0.062 1.00 0.00 N ATOM 1667 CA HIS A 108 9.002 -6.248 0.324 1.00 0.00 C ATOM 1668 C HIS A 108 8.391 -7.618 0.048 1.00 0.00 C ATOM 1669 O HIS A 108 8.971 -8.435 -0.667 1.00 0.00 O ATOM 1670 CB HIS A 108 9.364 -6.126 1.804 1.00 0.00 C ATOM 1671 CG HIS A 108 10.204 -4.927 2.119 1.00 0.00 C ATOM 1672 ND1 HIS A 108 11.247 -4.508 1.321 1.00 0.00 N ATOM 1673 CD2 HIS A 108 10.148 -4.053 3.152 1.00 0.00 C ATOM 1674 CE1 HIS A 108 11.798 -3.430 1.850 1.00 0.00 C ATOM 1675 NE2 HIS A 108 11.150 -3.133 2.961 1.00 0.00 N ATOM 0 H HIS A 108 7.686 -4.664 0.721 1.00 0.00 H new ATOM 0 HA HIS A 108 9.908 -6.147 -0.273 1.00 0.00 H new ATOM 0 HB2 HIS A 108 8.447 -6.081 2.391 1.00 0.00 H new ATOM 0 HB3 HIS A 108 9.897 -7.025 2.114 1.00 0.00 H new ATOM 0 HD2 HIS A 108 9.446 -4.075 3.973 1.00 0.00 H new ATOM 0 HE1 HIS A 108 12.636 -2.884 1.443 1.00 0.00 H new ATOM 0 HE2 HIS A 108 11.359 -2.348 3.578 1.00 0.00 H new ATOM 1684 N TYR A 109 7.218 -7.863 0.621 1.00 0.00 N ATOM 1685 CA TYR A 109 6.530 -9.137 0.440 1.00 0.00 C ATOM 1686 C TYR A 109 6.492 -9.530 -1.034 1.00 0.00 C ATOM 1687 O TYR A 109 7.131 -10.498 -1.446 1.00 0.00 O ATOM 1688 CB TYR A 109 5.106 -9.055 0.995 1.00 0.00 C ATOM 1689 CG TYR A 109 4.239 -10.232 0.612 1.00 0.00 C ATOM 1690 CD1 TYR A 109 4.347 -11.447 1.279 1.00 0.00 C ATOM 1691 CD2 TYR A 109 3.310 -10.130 -0.417 1.00 0.00 C ATOM 1692 CE1 TYR A 109 3.557 -12.525 0.932 1.00 0.00 C ATOM 1693 CE2 TYR A 109 2.514 -11.204 -0.769 1.00 0.00 C ATOM 1694 CZ TYR A 109 2.642 -12.399 -0.092 1.00 0.00 C ATOM 1695 OH TYR A 109 1.852 -13.470 -0.441 1.00 0.00 O ATOM 0 H TYR A 109 6.723 -7.197 1.215 1.00 0.00 H new ATOM 0 HA TYR A 109 7.082 -9.901 0.987 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.152 -8.987 2.082 1.00 0.00 H new ATOM 0 HB3 TYR A 109 4.638 -8.138 0.637 1.00 0.00 H new ATOM 0 HD1 TYR A 109 5.061 -11.549 2.083 1.00 0.00 H new ATOM 0 HD2 TYR A 109 3.208 -9.196 -0.950 1.00 0.00 H new ATOM 0 HE1 TYR A 109 3.655 -13.462 1.460 1.00 0.00 H new ATOM 0 HE2 TYR A 109 1.796 -11.108 -1.570 1.00 0.00 H new ATOM 0 HH TYR A 109 1.261 -13.214 -1.180 1.00 0.00 H new ATOM 1705 N PHE A 110 5.738 -8.771 -1.823 1.00 0.00 N ATOM 1706 CA PHE A 110 5.614 -9.039 -3.251 1.00 0.00 C ATOM 1707 C PHE A 110 6.989 -9.168 -3.900 1.00 0.00 C ATOM 1708 O PHE A 110 7.225 -10.071 -4.702 1.00 0.00 O ATOM 1709 CB PHE A 110 4.816 -7.926 -3.933 1.00 0.00 C ATOM 1710 CG PHE A 110 3.338 -8.185 -3.972 1.00 0.00 C ATOM 1711 CD1 PHE A 110 2.827 -9.255 -4.690 1.00 0.00 C ATOM 1712 CD2 PHE A 110 2.458 -7.359 -3.290 1.00 0.00 C ATOM 1713 CE1 PHE A 110 1.467 -9.495 -4.728 1.00 0.00 C ATOM 1714 CE2 PHE A 110 1.097 -7.595 -3.325 1.00 0.00 C ATOM 1715 CZ PHE A 110 0.600 -8.665 -4.044 1.00 0.00 C ATOM 0 H PHE A 110 5.204 -7.965 -1.497 1.00 0.00 H new ATOM 0 HA PHE A 110 5.083 -9.983 -3.375 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.998 -6.987 -3.411 1.00 0.00 H new ATOM 0 HB3 PHE A 110 5.182 -7.800 -4.952 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.500 -9.908 -5.226 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.840 -6.522 -2.725 1.00 0.00 H new ATOM 0 HE1 PHE A 110 1.082 -10.331 -5.292 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.422 -6.943 -2.790 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.463 -8.852 -4.071 1.00 0.00 H new ATOM 1725 N SER A 111 7.891 -8.257 -3.548 1.00 0.00 N ATOM 1726 CA SER A 111 9.241 -8.265 -4.100 1.00 0.00 C ATOM 1727 C SER A 111 9.879 -9.642 -3.952 1.00 0.00 C ATOM 1728 O SER A 111 10.374 -10.218 -4.922 1.00 0.00 O ATOM 1729 CB SER A 111 10.105 -7.212 -3.404 1.00 0.00 C ATOM 1730 OG SER A 111 11.482 -7.448 -3.636 1.00 0.00 O ATOM 0 H SER A 111 7.711 -7.504 -2.883 1.00 0.00 H new ATOM 0 HA SER A 111 9.175 -8.026 -5.162 1.00 0.00 H new ATOM 0 HB2 SER A 111 9.837 -6.220 -3.766 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.906 -7.224 -2.332 1.00 0.00 H new ATOM 0 HG SER A 111 12.013 -6.761 -3.182 1.00 0.00 H new ATOM 1736 N LYS A 112 9.866 -10.166 -2.731 1.00 0.00 N ATOM 1737 CA LYS A 112 10.442 -11.476 -2.454 1.00 0.00 C ATOM 1738 C LYS A 112 10.133 -12.457 -3.580 1.00 0.00 C ATOM 1739 O LYS A 112 11.025 -13.138 -4.085 1.00 0.00 O ATOM 1740 CB LYS A 112 9.907 -12.021 -1.128 1.00 0.00 C ATOM 1741 CG LYS A 112 10.370 -11.233 0.086 1.00 0.00 C ATOM 1742 CD LYS A 112 11.851 -11.447 0.357 1.00 0.00 C ATOM 1743 CE LYS A 112 12.238 -10.960 1.745 1.00 0.00 C ATOM 1744 NZ LYS A 112 12.272 -9.472 1.821 1.00 0.00 N ATOM 0 H LYS A 112 9.462 -9.703 -1.917 1.00 0.00 H new ATOM 0 HA LYS A 112 11.524 -11.361 -2.383 1.00 0.00 H new ATOM 0 HB2 LYS A 112 8.817 -12.019 -1.158 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.221 -13.059 -1.018 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.178 -10.172 -0.073 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.792 -11.535 0.959 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.090 -12.506 0.262 1.00 0.00 H new ATOM 0 HD3 LYS A 112 12.440 -10.918 -0.393 1.00 0.00 H new ATOM 0 HE2 LYS A 112 11.527 -11.345 2.476 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.217 -11.360 2.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.540 -9.180 2.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 12.968 -9.105 1.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 11.332 -9.091 1.593 1.00 0.00 H new