USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 568 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 35 HIS : no HE2:sc= 0.167 K(o=2.5,f=-1.7!) USER MOD Set 1.2: A 74 ASN : amide:sc= 1.14 K(o=2.5,f=0.74) USER MOD Set 1.3: A 76 ASN : amide:sc= 1.23 K(o=2.5,f=0.74) USER MOD Set 2.1: A 7 MET CE :methyl -149:sc= 0 (180deg=-0.0221) USER MOD Set 2.2: A 23 ASN : amide:sc= 0.344 K(o=-0.24,f=-4.1) USER MOD Set 2.3: A 37 MET CE :methyl 141:sc= -1.79 (180deg=-2.79) USER MOD Set 2.4: A 84 TYR OH : rot -11:sc= 1.2 USER MOD Set 3.1: A 10 ASN : amide:sc= -0.261 K(o=0.97,f=-3.2!) USER MOD Set 3.2: A 15 THR OG1 : rot -85:sc= 1.24 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -171:sc=-0.00672 (180deg=-0.0933) USER MOD Single : A 14 ASN : amide:sc= -0.104 K(o=-0.1,f=-2.1!) USER MOD Single : A 17 SER OG : rot 180:sc=0.000913 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.175 X(o=-0.17,f=0) USER MOD Single : A 25 ASN : amide:sc=-0.00534 X(o=-0.0053,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 39 THR OG1 : rot 106:sc= 1.08 USER MOD Single : A 46 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.123) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 171:sc= 0.785 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.00607 USER MOD Single : A 65 MET CE :methyl -176:sc= 0 (180deg=-0.015) USER MOD Single : A 70 ASN : amide:sc= -1.53 X(o=-1.5,f=-1.6) USER MOD Single : A 71 THR OG1 : rot -140:sc= -0.0374 USER MOD Single : A 77 THR OG1 : rot 155:sc= 0.395 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -59:sc= 2.09 USER MOD ----------------------------------------------------------------- ATOM 26 N TYR A 4 8.713 -3.268 -7.236 1.00 0.00 N ATOM 27 CA TYR A 4 8.686 -2.942 -5.820 1.00 0.00 C ATOM 28 C TYR A 4 7.308 -2.397 -5.468 1.00 0.00 C ATOM 29 O TYR A 4 6.513 -2.069 -6.354 1.00 0.00 O ATOM 30 CB TYR A 4 9.745 -1.888 -5.470 1.00 0.00 C ATOM 31 CG TYR A 4 9.782 -0.714 -6.427 1.00 0.00 C ATOM 32 CD1 TYR A 4 8.879 0.354 -6.262 1.00 0.00 C ATOM 33 CD2 TYR A 4 10.657 -0.726 -7.528 1.00 0.00 C ATOM 34 CE1 TYR A 4 8.857 1.407 -7.190 1.00 0.00 C ATOM 35 CE2 TYR A 4 10.664 0.350 -8.428 1.00 0.00 C ATOM 36 CZ TYR A 4 9.758 1.409 -8.264 1.00 0.00 C ATOM 37 OH TYR A 4 9.807 2.487 -9.098 1.00 0.00 O ATOM 0 HA TYR A 4 8.902 -3.847 -5.252 1.00 0.00 H new ATOM 0 HB2 TYR A 4 9.555 -1.517 -4.463 1.00 0.00 H new ATOM 0 HB3 TYR A 4 10.726 -2.363 -5.455 1.00 0.00 H new ATOM 0 HD1 TYR A 4 8.202 0.363 -5.420 1.00 0.00 H new ATOM 0 HD2 TYR A 4 11.323 -1.563 -7.680 1.00 0.00 H new ATOM 0 HE1 TYR A 4 8.148 2.214 -7.077 1.00 0.00 H new ATOM 0 HE2 TYR A 4 11.367 0.363 -9.248 1.00 0.00 H new ATOM 0 HH TYR A 4 10.483 2.334 -9.791 1.00 0.00 H new ATOM 47 N LEU A 5 7.072 -2.275 -4.163 1.00 0.00 N ATOM 48 CA LEU A 5 5.973 -1.539 -3.560 1.00 0.00 C ATOM 49 C LEU A 5 6.596 -0.408 -2.745 1.00 0.00 C ATOM 50 O LEU A 5 7.582 -0.640 -2.040 1.00 0.00 O ATOM 51 CB LEU A 5 5.178 -2.485 -2.646 1.00 0.00 C ATOM 52 CG LEU A 5 3.904 -1.878 -2.034 1.00 0.00 C ATOM 53 CD1 LEU A 5 2.903 -1.510 -3.126 1.00 0.00 C ATOM 54 CD2 LEU A 5 3.211 -2.900 -1.127 1.00 0.00 C ATOM 0 H LEU A 5 7.676 -2.711 -3.466 1.00 0.00 H new ATOM 0 HA LEU A 5 5.292 -1.138 -4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.902 -3.371 -3.217 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.829 -2.817 -1.837 1.00 0.00 H new ATOM 0 HG LEU A 5 4.206 -0.994 -1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.009 -1.082 -2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.352 -0.780 -3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.632 -2.404 -3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.311 -2.457 -0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.941 -3.780 -1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.888 -3.191 -0.324 1.00 0.00 H new ATOM 66 N ILE A 6 6.042 0.800 -2.825 1.00 0.00 N ATOM 67 CA ILE A 6 6.374 1.891 -1.924 1.00 0.00 C ATOM 68 C ILE A 6 5.120 2.705 -1.661 1.00 0.00 C ATOM 69 O ILE A 6 4.253 2.814 -2.530 1.00 0.00 O ATOM 70 CB ILE A 6 7.490 2.787 -2.488 1.00 0.00 C ATOM 71 CG1 ILE A 6 7.201 3.252 -3.926 1.00 0.00 C ATOM 72 CG2 ILE A 6 8.843 2.086 -2.372 1.00 0.00 C ATOM 73 CD1 ILE A 6 8.366 4.039 -4.522 1.00 0.00 C ATOM 0 H ILE A 6 5.343 1.047 -3.526 1.00 0.00 H new ATOM 0 HA ILE A 6 6.751 1.469 -0.992 1.00 0.00 H new ATOM 0 HB ILE A 6 7.524 3.694 -1.884 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.993 2.384 -4.552 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.305 3.872 -3.932 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.623 2.732 -2.775 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.054 1.873 -1.324 1.00 0.00 H new ATOM 0 HG23 ILE A 6 8.818 1.152 -2.934 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.116 4.346 -5.538 1.00 0.00 H new ATOM 0 HD12 ILE A 6 8.558 4.922 -3.913 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.257 3.411 -4.542 1.00 0.00 H new ATOM 85 N MET A 7 5.039 3.279 -0.462 1.00 0.00 N ATOM 86 CA MET A 7 4.063 4.297 -0.137 1.00 0.00 C ATOM 87 C MET A 7 4.772 5.635 -0.311 1.00 0.00 C ATOM 88 O MET A 7 5.945 5.764 0.056 1.00 0.00 O ATOM 89 CB MET A 7 3.510 4.065 1.272 1.00 0.00 C ATOM 90 CG MET A 7 4.388 4.632 2.387 1.00 0.00 C ATOM 91 SD MET A 7 3.935 4.073 4.042 1.00 0.00 S ATOM 92 CE MET A 7 4.877 2.541 4.068 1.00 0.00 C ATOM 0 H MET A 7 5.659 3.043 0.313 1.00 0.00 H new ATOM 0 HA MET A 7 3.190 4.271 -0.789 1.00 0.00 H new ATOM 0 HB2 MET A 7 2.519 4.514 1.340 1.00 0.00 H new ATOM 0 HB3 MET A 7 3.386 2.994 1.431 1.00 0.00 H new ATOM 0 HG2 MET A 7 5.425 4.356 2.194 1.00 0.00 H new ATOM 0 HG3 MET A 7 4.337 5.720 2.357 1.00 0.00 H new ATOM 0 HE1 MET A 7 4.361 1.807 4.687 1.00 0.00 H new ATOM 0 HE2 MET A 7 4.974 2.156 3.053 1.00 0.00 H new ATOM 0 HE3 MET A 7 5.868 2.730 4.480 1.00 0.00 H new ATOM 102 N CYS A 8 4.101 6.616 -0.895 1.00 0.00 N ATOM 103 CA CYS A 8 4.705 7.873 -1.304 1.00 0.00 C ATOM 104 C CYS A 8 3.881 9.031 -0.767 1.00 0.00 C ATOM 105 O CYS A 8 2.733 8.867 -0.352 1.00 0.00 O ATOM 106 CB CYS A 8 4.735 7.962 -2.833 1.00 0.00 C ATOM 107 SG CYS A 8 5.894 6.865 -3.674 1.00 0.00 S ATOM 0 H CYS A 8 3.104 6.559 -1.101 1.00 0.00 H new ATOM 0 HA CYS A 8 5.720 7.921 -0.911 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.733 7.753 -3.208 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.972 8.989 -3.112 1.00 0.00 H new ATOM 112 N LYS A 9 4.478 10.221 -0.791 1.00 0.00 N ATOM 113 CA LYS A 9 3.809 11.448 -0.401 1.00 0.00 C ATOM 114 C LYS A 9 2.837 11.920 -1.477 1.00 0.00 C ATOM 115 O LYS A 9 1.850 12.577 -1.164 1.00 0.00 O ATOM 116 CB LYS A 9 4.848 12.545 -0.133 1.00 0.00 C ATOM 117 CG LYS A 9 5.209 12.612 1.349 1.00 0.00 C ATOM 118 CD LYS A 9 6.098 11.462 1.834 1.00 0.00 C ATOM 119 CE LYS A 9 6.150 11.457 3.365 1.00 0.00 C ATOM 120 NZ LYS A 9 6.615 12.738 3.931 1.00 0.00 N ATOM 0 H LYS A 9 5.446 10.356 -1.084 1.00 0.00 H new ATOM 0 HA LYS A 9 3.241 11.245 0.507 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.745 12.351 -0.720 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.456 13.509 -0.459 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.717 13.556 1.545 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.290 12.617 1.935 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.708 10.511 1.471 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.103 11.571 1.427 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.158 11.233 3.756 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.812 10.658 3.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.775 12.628 4.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.503 13.019 3.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.894 13.470 3.770 1.00 0.00 H new ATOM 134 N ASN A 10 3.144 11.660 -2.743 1.00 0.00 N ATOM 135 CA ASN A 10 2.376 12.123 -3.887 1.00 0.00 C ATOM 136 C ASN A 10 2.400 11.014 -4.930 1.00 0.00 C ATOM 137 O ASN A 10 2.970 9.948 -4.697 1.00 0.00 O ATOM 138 CB ASN A 10 2.896 13.465 -4.427 1.00 0.00 C ATOM 139 CG ASN A 10 4.279 13.385 -5.064 1.00 0.00 C ATOM 140 OD1 ASN A 10 4.894 12.325 -5.086 1.00 0.00 O ATOM 141 ND2 ASN A 10 4.782 14.494 -5.585 1.00 0.00 N ATOM 0 H ASN A 10 3.958 11.105 -3.006 1.00 0.00 H new ATOM 0 HA ASN A 10 1.345 12.326 -3.596 1.00 0.00 H new ATOM 0 HB2 ASN A 10 2.189 13.846 -5.164 1.00 0.00 H new ATOM 0 HB3 ASN A 10 2.925 14.186 -3.610 1.00 0.00 H new ATOM 0 HD21 ASN A 10 5.705 14.480 -6.019 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.247 15.362 -5.552 1.00 0.00 H new ATOM 148 N CYS A 11 1.794 11.273 -6.081 1.00 0.00 N ATOM 149 CA CYS A 11 1.633 10.304 -7.164 1.00 0.00 C ATOM 150 C CYS A 11 2.875 10.249 -8.054 1.00 0.00 C ATOM 151 O CYS A 11 2.858 9.651 -9.128 1.00 0.00 O ATOM 152 CB CYS A 11 0.425 10.742 -7.984 1.00 0.00 C ATOM 153 SG CYS A 11 -0.178 9.640 -9.281 1.00 0.00 S ATOM 0 H CYS A 11 1.390 12.185 -6.296 1.00 0.00 H new ATOM 0 HA CYS A 11 1.491 9.306 -6.750 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -0.398 10.922 -7.292 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.667 11.698 -8.447 1.00 0.00 H new ATOM 158 N ASP A 12 3.946 10.935 -7.651 1.00 0.00 N ATOM 159 CA ASP A 12 5.179 11.075 -8.396 1.00 0.00 C ATOM 160 C ASP A 12 6.388 10.670 -7.546 1.00 0.00 C ATOM 161 O ASP A 12 6.964 11.511 -6.854 1.00 0.00 O ATOM 162 CB ASP A 12 5.321 12.532 -8.828 1.00 0.00 C ATOM 163 CG ASP A 12 6.632 12.720 -9.555 1.00 0.00 C ATOM 164 OD1 ASP A 12 7.258 11.712 -9.942 1.00 0.00 O ATOM 165 OD2 ASP A 12 7.032 13.883 -9.735 1.00 0.00 O ATOM 0 H ASP A 12 3.969 11.426 -6.757 1.00 0.00 H new ATOM 0 HA ASP A 12 5.146 10.419 -9.266 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.491 12.812 -9.476 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.280 13.186 -7.957 1.00 0.00 H new ATOM 170 N PRO A 13 6.840 9.413 -7.615 1.00 0.00 N ATOM 171 CA PRO A 13 7.986 8.974 -6.844 1.00 0.00 C ATOM 172 C PRO A 13 9.280 9.697 -7.220 1.00 0.00 C ATOM 173 O PRO A 13 10.270 9.579 -6.495 1.00 0.00 O ATOM 174 CB PRO A 13 8.107 7.470 -7.081 1.00 0.00 C ATOM 175 CG PRO A 13 7.338 7.223 -8.376 1.00 0.00 C ATOM 176 CD PRO A 13 6.293 8.336 -8.418 1.00 0.00 C ATOM 0 HA PRO A 13 7.834 9.210 -5.791 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.149 7.166 -7.174 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.682 6.902 -6.253 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.997 7.264 -9.243 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.870 6.239 -8.378 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.110 8.664 -9.441 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.339 7.994 -8.017 1.00 0.00 H new ATOM 184 N ASN A 14 9.324 10.405 -8.350 1.00 0.00 N ATOM 185 CA ASN A 14 10.475 11.234 -8.678 1.00 0.00 C ATOM 186 C ASN A 14 10.571 12.419 -7.726 1.00 0.00 C ATOM 187 O ASN A 14 11.669 12.738 -7.281 1.00 0.00 O ATOM 188 CB ASN A 14 10.467 11.694 -10.137 1.00 0.00 C ATOM 189 CG ASN A 14 11.650 12.608 -10.441 1.00 0.00 C ATOM 190 OD1 ASN A 14 11.475 13.808 -10.606 1.00 0.00 O ATOM 191 ND2 ASN A 14 12.855 12.066 -10.552 1.00 0.00 N ATOM 0 H ASN A 14 8.579 10.418 -9.047 1.00 0.00 H new ATOM 0 HA ASN A 14 11.364 10.616 -8.553 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.499 10.825 -10.794 1.00 0.00 H new ATOM 0 HB3 ASN A 14 9.536 12.219 -10.349 1.00 0.00 H new ATOM 0 HD21 ASN A 14 13.659 12.652 -10.779 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.978 11.063 -10.410 1.00 0.00 H new ATOM 198 N THR A 15 9.447 13.049 -7.375 1.00 0.00 N ATOM 199 CA THR A 15 9.455 14.232 -6.512 1.00 0.00 C ATOM 200 C THR A 15 8.658 14.071 -5.210 1.00 0.00 C ATOM 201 O THR A 15 8.433 15.052 -4.497 1.00 0.00 O ATOM 202 CB THR A 15 9.039 15.478 -7.305 1.00 0.00 C ATOM 203 OG1 THR A 15 7.660 15.433 -7.614 1.00 0.00 O ATOM 204 CG2 THR A 15 9.829 15.627 -8.605 1.00 0.00 C ATOM 0 H THR A 15 8.517 12.758 -7.677 1.00 0.00 H new ATOM 0 HA THR A 15 10.484 14.362 -6.178 1.00 0.00 H new ATOM 0 HB THR A 15 9.255 16.337 -6.669 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.526 14.920 -8.438 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.499 16.523 -9.131 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.892 15.711 -8.377 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.661 14.754 -9.235 1.00 0.00 H new ATOM 212 N GLY A 16 8.288 12.850 -4.843 1.00 0.00 N ATOM 213 CA GLY A 16 7.838 12.502 -3.511 1.00 0.00 C ATOM 214 C GLY A 16 8.931 11.674 -2.870 1.00 0.00 C ATOM 215 O GLY A 16 9.391 10.701 -3.467 1.00 0.00 O ATOM 0 H GLY A 16 8.295 12.057 -5.485 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.642 13.400 -2.925 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.905 11.940 -3.555 1.00 0.00 H new ATOM 219 N SER A 17 9.351 12.035 -1.659 1.00 0.00 N ATOM 220 CA SER A 17 10.341 11.224 -0.976 1.00 0.00 C ATOM 221 C SER A 17 9.584 10.043 -0.385 1.00 0.00 C ATOM 222 O SER A 17 9.077 10.105 0.732 1.00 0.00 O ATOM 223 CB SER A 17 11.070 12.028 0.107 1.00 0.00 C ATOM 224 OG SER A 17 11.104 13.409 -0.207 1.00 0.00 O ATOM 0 H SER A 17 9.030 12.858 -1.148 1.00 0.00 H new ATOM 0 HA SER A 17 11.117 10.885 -1.663 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.572 11.884 1.066 1.00 0.00 H new ATOM 0 HB3 SER A 17 12.088 11.653 0.217 1.00 0.00 H new ATOM 0 HG SER A 17 11.574 13.894 0.503 1.00 0.00 H new ATOM 230 N CYS A 18 9.529 8.950 -1.124 1.00 0.00 N ATOM 231 CA CYS A 18 8.773 7.778 -0.733 1.00 0.00 C ATOM 232 C CYS A 18 9.617 7.019 0.268 1.00 0.00 C ATOM 233 O CYS A 18 10.837 7.211 0.290 1.00 0.00 O ATOM 234 CB CYS A 18 8.499 6.918 -1.962 1.00 0.00 C ATOM 235 SG CYS A 18 7.744 7.771 -3.359 1.00 0.00 S ATOM 0 H CYS A 18 10.011 8.852 -2.017 1.00 0.00 H new ATOM 0 HA CYS A 18 7.815 8.051 -0.292 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.440 6.479 -2.293 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.849 6.094 -1.669 1.00 0.00 H new ATOM 240 N ASP A 19 9.015 6.179 1.109 1.00 0.00 N ATOM 241 CA ASP A 19 9.755 5.269 1.947 1.00 0.00 C ATOM 242 C ASP A 19 9.861 3.878 1.316 1.00 0.00 C ATOM 243 O ASP A 19 8.938 3.065 1.328 1.00 0.00 O ATOM 244 CB ASP A 19 9.345 5.393 3.410 1.00 0.00 C ATOM 245 CG ASP A 19 8.142 4.631 3.910 1.00 0.00 C ATOM 246 OD1 ASP A 19 7.034 5.191 3.849 1.00 0.00 O ATOM 247 OD2 ASP A 19 8.342 3.588 4.560 1.00 0.00 O ATOM 0 H ASP A 19 8.003 6.119 1.220 1.00 0.00 H new ATOM 0 HA ASP A 19 10.805 5.557 1.997 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.199 5.090 4.016 1.00 0.00 H new ATOM 0 HB3 ASP A 19 9.170 6.450 3.612 1.00 0.00 H new ATOM 252 N TRP A 20 11.047 3.629 0.764 1.00 0.00 N ATOM 253 CA TRP A 20 11.509 2.449 0.042 1.00 0.00 C ATOM 254 C TRP A 20 11.966 1.432 1.080 1.00 0.00 C ATOM 255 O TRP A 20 13.096 0.945 1.070 1.00 0.00 O ATOM 256 CB TRP A 20 12.654 2.872 -0.887 1.00 0.00 C ATOM 257 CG TRP A 20 12.263 3.752 -2.036 1.00 0.00 C ATOM 258 CD1 TRP A 20 12.027 5.079 -1.987 1.00 0.00 C ATOM 259 CD2 TRP A 20 12.062 3.376 -3.424 1.00 0.00 C ATOM 260 NE1 TRP A 20 11.760 5.562 -3.249 1.00 0.00 N ATOM 261 CE2 TRP A 20 11.759 4.546 -4.177 1.00 0.00 C ATOM 262 CE3 TRP A 20 12.069 2.150 -4.114 1.00 0.00 C ATOM 263 CZ2 TRP A 20 11.516 4.502 -5.555 1.00 0.00 C ATOM 264 CZ3 TRP A 20 11.902 2.102 -5.509 1.00 0.00 C ATOM 265 CH2 TRP A 20 11.639 3.279 -6.232 1.00 0.00 C ATOM 0 H TRP A 20 11.788 4.328 0.819 1.00 0.00 H new ATOM 0 HA TRP A 20 10.726 2.001 -0.570 1.00 0.00 H new ATOM 0 HB2 TRP A 20 13.406 3.392 -0.294 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.126 1.974 -1.285 1.00 0.00 H new ATOM 0 HD1 TRP A 20 12.045 5.677 -1.088 1.00 0.00 H new ATOM 0 HE1 TRP A 20 11.586 6.543 -3.467 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.205 1.231 -3.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 11.237 5.398 -6.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 11.976 1.157 -6.027 1.00 0.00 H new ATOM 0 HH2 TRP A 20 11.532 3.242 -7.306 1.00 0.00 H new ATOM 276 N LYS A 21 11.086 1.209 2.045 1.00 0.00 N ATOM 277 CA LYS A 21 11.381 0.517 3.279 1.00 0.00 C ATOM 278 C LYS A 21 10.509 -0.741 3.303 1.00 0.00 C ATOM 279 O LYS A 21 9.700 -0.964 2.400 1.00 0.00 O ATOM 280 CB LYS A 21 11.024 1.483 4.417 1.00 0.00 C ATOM 281 CG LYS A 21 12.254 2.135 5.053 1.00 0.00 C ATOM 282 CD LYS A 21 13.235 1.172 5.726 1.00 0.00 C ATOM 283 CE LYS A 21 14.286 2.027 6.440 1.00 0.00 C ATOM 284 NZ LYS A 21 15.321 1.215 7.099 1.00 0.00 N ATOM 0 H LYS A 21 10.116 1.518 1.983 1.00 0.00 H new ATOM 0 HA LYS A 21 12.425 0.220 3.379 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.364 2.261 4.033 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.468 0.944 5.184 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.788 2.691 4.283 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.917 2.860 5.794 1.00 0.00 H new ATOM 0 HD2 LYS A 21 12.716 0.527 6.435 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.704 0.522 4.988 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.757 2.695 5.719 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.795 2.656 7.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.007 1.841 7.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.878 0.596 7.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.811 0.634 6.389 1.00 0.00 H new ATOM 298 N GLN A 22 10.673 -1.573 4.330 1.00 0.00 N ATOM 299 CA GLN A 22 10.163 -2.932 4.288 1.00 0.00 C ATOM 300 C GLN A 22 8.635 -2.906 4.194 1.00 0.00 C ATOM 301 O GLN A 22 7.987 -2.102 4.866 1.00 0.00 O ATOM 302 CB GLN A 22 10.655 -3.658 5.547 1.00 0.00 C ATOM 303 CG GLN A 22 10.665 -5.182 5.406 1.00 0.00 C ATOM 304 CD GLN A 22 11.175 -5.824 6.689 1.00 0.00 C ATOM 305 OE1 GLN A 22 12.349 -5.697 7.032 1.00 0.00 O ATOM 306 NE2 GLN A 22 10.292 -6.458 7.445 1.00 0.00 N ATOM 0 H GLN A 22 11.153 -1.327 5.195 1.00 0.00 H new ATOM 0 HA GLN A 22 10.526 -3.466 3.410 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.662 -3.316 5.784 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.019 -3.383 6.388 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.660 -5.541 5.185 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.298 -5.473 4.568 1.00 0.00 H new ATOM 0 HE21 GLN A 22 9.325 -6.547 7.134 1.00 0.00 H new ATOM 0 HE22 GLN A 22 10.579 -6.857 8.339 1.00 0.00 H new ATOM 315 N ASN A 23 8.071 -3.847 3.448 1.00 0.00 N ATOM 316 CA ASN A 23 6.719 -3.889 2.890 1.00 0.00 C ATOM 317 C ASN A 23 6.041 -5.224 3.176 1.00 0.00 C ATOM 318 O ASN A 23 4.817 -5.278 3.268 1.00 0.00 O ATOM 319 CB ASN A 23 6.762 -3.729 1.367 1.00 0.00 C ATOM 320 CG ASN A 23 6.553 -2.288 0.937 1.00 0.00 C ATOM 321 OD1 ASN A 23 5.421 -1.828 0.876 1.00 0.00 O ATOM 322 ND2 ASN A 23 7.603 -1.552 0.620 1.00 0.00 N ATOM 0 H ASN A 23 8.597 -4.682 3.192 1.00 0.00 H new ATOM 0 HA ASN A 23 6.163 -3.075 3.356 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.723 -4.083 0.993 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.994 -4.357 0.915 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.476 -0.586 0.319 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.540 -1.950 0.676 1.00 0.00 H new ATOM 329 N TRP A 24 6.827 -6.292 3.290 1.00 0.00 N ATOM 330 CA TRP A 24 6.354 -7.658 3.415 1.00 0.00 C ATOM 331 C TRP A 24 6.432 -7.991 4.920 1.00 0.00 C ATOM 332 O TRP A 24 6.598 -7.101 5.764 1.00 0.00 O ATOM 333 CB TRP A 24 7.341 -8.514 2.599 1.00 0.00 C ATOM 334 CG TRP A 24 7.004 -8.792 1.171 1.00 0.00 C ATOM 335 CD1 TRP A 24 7.740 -8.382 0.113 1.00 0.00 C ATOM 336 CD2 TRP A 24 5.915 -9.578 0.615 1.00 0.00 C ATOM 337 NE1 TRP A 24 7.176 -8.842 -1.055 1.00 0.00 N ATOM 338 CE2 TRP A 24 6.052 -9.593 -0.805 1.00 0.00 C ATOM 339 CE3 TRP A 24 4.833 -10.296 1.166 1.00 0.00 C ATOM 340 CZ2 TRP A 24 5.162 -10.277 -1.636 1.00 0.00 C ATOM 341 CZ3 TRP A 24 3.928 -10.982 0.338 1.00 0.00 C ATOM 342 CH2 TRP A 24 4.093 -10.973 -1.056 1.00 0.00 C ATOM 0 H TRP A 24 7.845 -6.222 3.298 1.00 0.00 H new ATOM 0 HA TRP A 24 5.339 -7.828 3.056 1.00 0.00 H new ATOM 0 HB2 TRP A 24 8.313 -8.021 2.624 1.00 0.00 H new ATOM 0 HB3 TRP A 24 7.456 -9.471 3.109 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.637 -7.783 0.175 1.00 0.00 H new ATOM 0 HE1 TRP A 24 7.545 -8.650 -1.987 1.00 0.00 H new ATOM 0 HE3 TRP A 24 4.698 -10.319 2.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 5.295 -10.270 -2.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 3.100 -11.519 0.777 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.393 -11.505 -1.684 1.00 0.00 H new ATOM 353 N ASN A 25 6.369 -9.267 5.282 1.00 0.00 N ATOM 354 CA ASN A 25 6.799 -9.823 6.563 1.00 0.00 C ATOM 355 C ASN A 25 5.739 -9.741 7.651 1.00 0.00 C ATOM 356 O ASN A 25 5.398 -10.774 8.231 1.00 0.00 O ATOM 357 CB ASN A 25 8.158 -9.291 7.052 1.00 0.00 C ATOM 358 CG ASN A 25 8.421 -9.725 8.488 1.00 0.00 C ATOM 359 OD1 ASN A 25 8.811 -10.858 8.740 1.00 0.00 O ATOM 360 ND2 ASN A 25 8.179 -8.838 9.441 1.00 0.00 N ATOM 0 H ASN A 25 5.997 -9.982 4.657 1.00 0.00 H new ATOM 0 HA ASN A 25 6.946 -10.882 6.351 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.953 -9.660 6.404 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.173 -8.203 6.987 1.00 0.00 H new ATOM 0 HD21 ASN A 25 8.317 -9.090 10.420 1.00 0.00 H new ATOM 0 HD22 ASN A 25 7.855 -7.902 9.196 1.00 0.00 H new ATOM 367 N THR A 26 5.254 -8.544 7.968 1.00 0.00 N ATOM 368 CA THR A 26 4.235 -8.365 8.996 1.00 0.00 C ATOM 369 C THR A 26 3.715 -6.943 9.018 1.00 0.00 C ATOM 370 O THR A 26 4.413 -6.020 8.614 1.00 0.00 O ATOM 371 CB THR A 26 4.698 -8.775 10.411 1.00 0.00 C ATOM 372 OG1 THR A 26 3.601 -9.374 11.069 1.00 0.00 O ATOM 373 CG2 THR A 26 5.243 -7.642 11.288 1.00 0.00 C ATOM 0 H THR A 26 5.554 -7.677 7.523 1.00 0.00 H new ATOM 0 HA THR A 26 3.428 -9.043 8.718 1.00 0.00 H new ATOM 0 HB THR A 26 5.540 -9.453 10.269 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.870 -9.646 11.971 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.538 -8.042 12.258 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.109 -7.191 10.803 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.470 -6.886 11.428 1.00 0.00 H new ATOM 381 N CYS A 27 2.507 -6.811 9.542 1.00 0.00 N ATOM 382 CA CYS A 27 1.795 -5.593 9.912 1.00 0.00 C ATOM 383 C CYS A 27 2.712 -4.456 10.377 1.00 0.00 C ATOM 384 O CYS A 27 3.391 -4.581 11.395 1.00 0.00 O ATOM 385 CB CYS A 27 0.806 -5.990 11.004 1.00 0.00 C ATOM 386 SG CYS A 27 0.075 -4.663 11.970 1.00 0.00 S ATOM 0 H CYS A 27 1.942 -7.637 9.740 1.00 0.00 H new ATOM 0 HA CYS A 27 1.292 -5.187 9.034 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.002 -6.554 10.539 1.00 0.00 H new ATOM 0 HB3 CYS A 27 1.314 -6.667 11.690 1.00 0.00 H new ATOM 391 N VAL A 28 2.728 -3.350 9.625 1.00 0.00 N ATOM 392 CA VAL A 28 3.548 -2.161 9.850 1.00 0.00 C ATOM 393 C VAL A 28 2.618 -0.951 9.983 1.00 0.00 C ATOM 394 O VAL A 28 1.535 -0.942 9.396 1.00 0.00 O ATOM 395 CB VAL A 28 4.544 -2.029 8.674 1.00 0.00 C ATOM 396 CG1 VAL A 28 4.984 -0.603 8.310 1.00 0.00 C ATOM 397 CG2 VAL A 28 5.795 -2.882 8.938 1.00 0.00 C ATOM 0 H VAL A 28 2.136 -3.258 8.799 1.00 0.00 H new ATOM 0 HA VAL A 28 4.130 -2.230 10.769 1.00 0.00 H new ATOM 0 HB VAL A 28 3.979 -2.386 7.813 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.681 -0.640 7.473 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.111 -0.013 8.030 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.473 -0.143 9.169 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.488 -2.780 8.103 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.279 -2.544 9.854 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.507 -3.928 9.045 1.00 0.00 H new ATOM 407 N GLY A 29 3.031 0.058 10.754 1.00 0.00 N ATOM 408 CA GLY A 29 2.330 1.308 10.964 1.00 0.00 C ATOM 409 C GLY A 29 2.673 2.331 9.882 1.00 0.00 C ATOM 410 O GLY A 29 3.805 2.352 9.400 1.00 0.00 O ATOM 0 H GLY A 29 3.909 0.014 11.271 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.255 1.127 10.968 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.589 1.712 11.943 1.00 0.00 H new ATOM 414 N ILE A 30 1.705 3.159 9.491 1.00 0.00 N ATOM 415 CA ILE A 30 1.811 4.147 8.424 1.00 0.00 C ATOM 416 C ILE A 30 1.273 5.491 8.931 1.00 0.00 C ATOM 417 O ILE A 30 0.483 5.530 9.879 1.00 0.00 O ATOM 418 CB ILE A 30 1.041 3.625 7.183 1.00 0.00 C ATOM 419 CG1 ILE A 30 1.891 2.597 6.412 1.00 0.00 C ATOM 420 CG2 ILE A 30 0.654 4.735 6.189 1.00 0.00 C ATOM 421 CD1 ILE A 30 1.742 1.133 6.801 1.00 0.00 C ATOM 0 H ILE A 30 0.785 3.157 9.931 1.00 0.00 H new ATOM 0 HA ILE A 30 2.849 4.303 8.128 1.00 0.00 H new ATOM 0 HB ILE A 30 0.129 3.178 7.579 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.653 2.690 5.352 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.939 2.872 6.528 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.119 4.298 5.346 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.014 5.463 6.688 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.555 5.231 5.829 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.397 0.523 6.179 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.014 1.005 7.849 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.708 0.821 6.654 1.00 0.00 H new ATOM 433 N GLY A 31 1.697 6.591 8.305 1.00 0.00 N ATOM 434 CA GLY A 31 1.093 7.904 8.425 1.00 0.00 C ATOM 435 C GLY A 31 1.995 8.939 7.751 1.00 0.00 C ATOM 436 O GLY A 31 2.941 8.588 7.052 1.00 0.00 O ATOM 0 H GLY A 31 2.502 6.583 7.678 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.107 7.907 7.961 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.952 8.157 9.476 1.00 0.00 H new ATOM 440 N ALA A 32 1.721 10.211 8.010 1.00 0.00 N ATOM 441 CA ALA A 32 2.583 11.359 7.776 1.00 0.00 C ATOM 442 C ALA A 32 2.760 11.746 6.316 1.00 0.00 C ATOM 443 O ALA A 32 3.790 11.486 5.701 1.00 0.00 O ATOM 444 CB ALA A 32 3.903 11.229 8.541 1.00 0.00 C ATOM 0 H ALA A 32 0.827 10.485 8.418 1.00 0.00 H new ATOM 0 HA ALA A 32 2.050 12.215 8.190 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.525 12.103 8.345 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.699 11.161 9.610 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.426 10.331 8.214 1.00 0.00 H new ATOM 450 N ASN A 33 1.747 12.425 5.780 1.00 0.00 N ATOM 451 CA ASN A 33 1.682 12.958 4.421 1.00 0.00 C ATOM 452 C ASN A 33 1.601 11.826 3.402 1.00 0.00 C ATOM 453 O ASN A 33 1.638 12.079 2.202 1.00 0.00 O ATOM 454 CB ASN A 33 2.854 13.901 4.079 1.00 0.00 C ATOM 455 CG ASN A 33 2.996 15.108 4.998 1.00 0.00 C ATOM 456 OD1 ASN A 33 2.153 15.368 5.848 1.00 0.00 O ATOM 457 ND2 ASN A 33 4.079 15.864 4.849 1.00 0.00 N ATOM 0 H ASN A 33 0.902 12.629 6.313 1.00 0.00 H new ATOM 0 HA ASN A 33 0.773 13.558 4.372 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.782 13.329 4.108 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.730 14.255 3.055 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.220 16.677 5.448 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.769 15.631 4.135 1.00 0.00 H new ATOM 464 N VAL A 34 1.508 10.576 3.856 1.00 0.00 N ATOM 465 CA VAL A 34 1.375 9.433 2.964 1.00 0.00 C ATOM 466 C VAL A 34 -0.095 9.289 2.564 1.00 0.00 C ATOM 467 O VAL A 34 -0.942 9.029 3.418 1.00 0.00 O ATOM 468 CB VAL A 34 1.908 8.163 3.650 1.00 0.00 C ATOM 469 CG1 VAL A 34 1.636 6.917 2.797 1.00 0.00 C ATOM 470 CG2 VAL A 34 3.422 8.276 3.879 1.00 0.00 C ATOM 0 H VAL A 34 1.523 10.332 4.846 1.00 0.00 H new ATOM 0 HA VAL A 34 1.967 9.585 2.062 1.00 0.00 H new ATOM 0 HB VAL A 34 1.390 8.066 4.604 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.024 6.035 3.307 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.562 6.806 2.647 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.129 7.023 1.831 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.785 7.370 4.365 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.927 8.401 2.921 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.631 9.137 4.514 1.00 0.00 H new ATOM 480 N HIS A 35 -0.414 9.459 1.280 1.00 0.00 N ATOM 481 CA HIS A 35 -1.685 9.013 0.713 1.00 0.00 C ATOM 482 C HIS A 35 -1.533 8.566 -0.727 1.00 0.00 C ATOM 483 O HIS A 35 -2.418 8.787 -1.553 1.00 0.00 O ATOM 484 CB HIS A 35 -2.790 10.057 0.890 1.00 0.00 C ATOM 485 CG HIS A 35 -2.522 11.407 0.280 1.00 0.00 C ATOM 486 ND1 HIS A 35 -3.343 12.061 -0.610 1.00 0.00 N ATOM 487 CD2 HIS A 35 -1.546 12.287 0.666 1.00 0.00 C ATOM 488 CE1 HIS A 35 -2.852 13.297 -0.779 1.00 0.00 C ATOM 489 NE2 HIS A 35 -1.761 13.487 -0.016 1.00 0.00 N ATOM 0 H HIS A 35 0.203 9.910 0.604 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.999 8.136 1.279 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.710 9.661 0.459 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.969 10.191 1.957 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -4.174 11.676 -1.059 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -0.752 12.089 1.371 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -3.275 14.040 -1.439 1.00 0.00 H new ATOM 497 N TRP A 36 -0.430 7.896 -1.032 1.00 0.00 N ATOM 498 CA TRP A 36 -0.197 7.351 -2.348 1.00 0.00 C ATOM 499 C TRP A 36 0.551 6.043 -2.169 1.00 0.00 C ATOM 500 O TRP A 36 1.421 5.954 -1.308 1.00 0.00 O ATOM 501 CB TRP A 36 0.568 8.384 -3.174 1.00 0.00 C ATOM 502 CG TRP A 36 -0.241 9.612 -3.456 1.00 0.00 C ATOM 503 CD1 TRP A 36 -0.353 10.700 -2.660 1.00 0.00 C ATOM 504 CD2 TRP A 36 -1.203 9.810 -4.527 1.00 0.00 C ATOM 505 NE1 TRP A 36 -1.227 11.602 -3.230 1.00 0.00 N ATOM 506 CE2 TRP A 36 -1.806 11.092 -4.369 1.00 0.00 C ATOM 507 CE3 TRP A 36 -1.644 9.018 -5.603 1.00 0.00 C ATOM 508 CZ2 TRP A 36 -2.768 11.585 -5.260 1.00 0.00 C ATOM 509 CZ3 TRP A 36 -2.650 9.482 -6.472 1.00 0.00 C ATOM 510 CH2 TRP A 36 -3.189 10.771 -6.322 1.00 0.00 C ATOM 0 H TRP A 36 0.324 7.719 -0.369 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.119 7.139 -2.890 1.00 0.00 H new ATOM 0 HB2 TRP A 36 1.477 8.667 -2.643 1.00 0.00 H new ATOM 0 HB3 TRP A 36 0.877 7.933 -4.117 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.163 10.841 -1.722 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.420 12.530 -2.854 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.206 8.044 -5.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.179 12.576 -5.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.011 8.840 -7.262 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.926 11.134 -7.023 1.00 0.00 H new ATOM 521 N MET A 37 0.183 5.030 -2.939 1.00 0.00 N ATOM 522 CA MET A 37 0.909 3.786 -3.084 1.00 0.00 C ATOM 523 C MET A 37 1.315 3.756 -4.539 1.00 0.00 C ATOM 524 O MET A 37 0.479 4.018 -5.402 1.00 0.00 O ATOM 525 CB MET A 37 -0.005 2.610 -2.746 1.00 0.00 C ATOM 526 CG MET A 37 0.715 1.259 -2.682 1.00 0.00 C ATOM 527 SD MET A 37 0.657 0.502 -1.041 1.00 0.00 S ATOM 528 CE MET A 37 1.646 1.712 -0.153 1.00 0.00 C ATOM 0 H MET A 37 -0.667 5.058 -3.502 1.00 0.00 H new ATOM 0 HA MET A 37 1.770 3.714 -2.419 1.00 0.00 H new ATOM 0 HB2 MET A 37 -0.485 2.800 -1.786 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.797 2.553 -3.492 1.00 0.00 H new ATOM 0 HG2 MET A 37 0.265 0.579 -3.405 1.00 0.00 H new ATOM 0 HG3 MET A 37 1.756 1.394 -2.977 1.00 0.00 H new ATOM 0 HE1 MET A 37 1.219 1.875 0.837 1.00 0.00 H new ATOM 0 HE2 MET A 37 2.667 1.344 -0.052 1.00 0.00 H new ATOM 0 HE3 MET A 37 1.652 2.652 -0.705 1.00 0.00 H new ATOM 538 N VAL A 38 2.585 3.499 -4.812 1.00 0.00 N ATOM 539 CA VAL A 38 3.080 3.491 -6.171 1.00 0.00 C ATOM 540 C VAL A 38 3.826 2.175 -6.362 1.00 0.00 C ATOM 541 O VAL A 38 4.748 1.865 -5.606 1.00 0.00 O ATOM 542 CB VAL A 38 3.916 4.754 -6.443 1.00 0.00 C ATOM 543 CG1 VAL A 38 4.039 4.963 -7.952 1.00 0.00 C ATOM 544 CG2 VAL A 38 3.255 6.022 -5.877 1.00 0.00 C ATOM 0 H VAL A 38 3.290 3.293 -4.104 1.00 0.00 H new ATOM 0 HA VAL A 38 2.280 3.534 -6.910 1.00 0.00 H new ATOM 0 HB VAL A 38 4.883 4.602 -5.964 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.631 5.857 -8.148 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.528 4.098 -8.400 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.046 5.083 -8.385 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.882 6.887 -6.094 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.276 6.159 -6.337 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.137 5.920 -4.798 1.00 0.00 H new ATOM 554 N THR A 39 3.370 1.368 -7.313 1.00 0.00 N ATOM 555 CA THR A 39 3.921 0.054 -7.610 1.00 0.00 C ATOM 556 C THR A 39 4.629 0.113 -8.960 1.00 0.00 C ATOM 557 O THR A 39 4.174 0.828 -9.852 1.00 0.00 O ATOM 558 CB THR A 39 2.770 -0.967 -7.664 1.00 0.00 C ATOM 559 OG1 THR A 39 1.553 -0.323 -7.981 1.00 0.00 O ATOM 560 CG2 THR A 39 2.553 -1.644 -6.320 1.00 0.00 C ATOM 0 H THR A 39 2.585 1.618 -7.915 1.00 0.00 H new ATOM 0 HA THR A 39 4.633 -0.245 -6.840 1.00 0.00 H new ATOM 0 HB THR A 39 3.049 -1.701 -8.420 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.304 -0.531 -8.906 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.732 -2.357 -6.400 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.462 -2.169 -6.026 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.309 -0.892 -5.569 1.00 0.00 H new ATOM 568 N GLY A 40 5.686 -0.681 -9.150 1.00 0.00 N ATOM 569 CA GLY A 40 6.179 -0.981 -10.487 1.00 0.00 C ATOM 570 C GLY A 40 7.687 -1.097 -10.566 1.00 0.00 C ATOM 571 O GLY A 40 8.328 -1.515 -9.605 1.00 0.00 O ATOM 0 H GLY A 40 6.211 -1.123 -8.396 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.733 -1.915 -10.828 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.847 -0.200 -11.171 1.00 0.00 H new ATOM 626 N LYS A 46 2.867 -7.506 -13.063 1.00 0.00 N ATOM 627 CA LYS A 46 3.249 -7.963 -11.737 1.00 0.00 C ATOM 628 C LYS A 46 2.536 -7.161 -10.659 1.00 0.00 C ATOM 629 O LYS A 46 3.126 -6.623 -9.717 1.00 0.00 O ATOM 630 CB LYS A 46 4.729 -7.760 -11.575 1.00 0.00 C ATOM 631 CG LYS A 46 5.497 -8.441 -12.703 1.00 0.00 C ATOM 632 CD LYS A 46 6.968 -8.590 -12.303 1.00 0.00 C ATOM 633 CE LYS A 46 7.667 -9.748 -13.016 1.00 0.00 C ATOM 634 NZ LYS A 46 7.385 -9.773 -14.461 1.00 0.00 N ATOM 0 HA LYS A 46 2.976 -9.013 -11.634 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.955 -6.694 -11.567 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.053 -8.162 -10.615 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.065 -9.420 -12.912 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.416 -7.855 -13.618 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.495 -7.662 -12.526 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.032 -8.742 -11.226 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.743 -9.670 -12.860 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.348 -10.690 -12.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.020 -10.452 -14.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.397 -10.059 -14.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.538 -8.825 -14.861 1.00 0.00 H new ATOM 648 N GLN A 47 1.244 -7.037 -10.863 1.00 0.00 N ATOM 649 CA GLN A 47 0.351 -6.496 -9.858 1.00 0.00 C ATOM 650 C GLN A 47 0.588 -7.205 -8.534 1.00 0.00 C ATOM 651 O GLN A 47 1.041 -8.349 -8.501 1.00 0.00 O ATOM 652 CB GLN A 47 -1.123 -6.614 -10.271 1.00 0.00 C ATOM 653 CG GLN A 47 -1.666 -8.050 -10.179 1.00 0.00 C ATOM 654 CD GLN A 47 -3.090 -8.099 -10.709 1.00 0.00 C ATOM 655 OE1 GLN A 47 -3.311 -8.039 -11.913 1.00 0.00 O ATOM 656 NE2 GLN A 47 -4.095 -8.121 -9.840 1.00 0.00 N ATOM 0 H GLN A 47 0.780 -7.308 -11.730 1.00 0.00 H new ATOM 0 HA GLN A 47 0.569 -5.433 -9.752 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.725 -5.964 -9.636 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.237 -6.254 -11.294 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.032 -8.726 -10.753 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.642 -8.392 -9.144 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.903 -8.171 -8.839 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.058 -8.088 -10.173 1.00 0.00 H new ATOM 665 N GLY A 48 0.245 -6.537 -7.449 1.00 0.00 N ATOM 666 CA GLY A 48 0.131 -7.185 -6.167 1.00 0.00 C ATOM 667 C GLY A 48 -0.813 -6.341 -5.334 1.00 0.00 C ATOM 668 O GLY A 48 -1.290 -5.302 -5.808 1.00 0.00 O ATOM 0 H GLY A 48 0.040 -5.538 -7.436 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.253 -8.199 -6.279 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.106 -7.265 -5.686 1.00 0.00 H new ATOM 672 N CYS A 49 -1.041 -6.741 -4.091 1.00 0.00 N ATOM 673 CA CYS A 49 -2.038 -6.172 -3.229 1.00 0.00 C ATOM 674 C CYS A 49 -1.490 -5.998 -1.834 1.00 0.00 C ATOM 675 O CYS A 49 -0.659 -6.773 -1.354 1.00 0.00 O ATOM 676 CB CYS A 49 -3.255 -7.087 -3.136 1.00 0.00 C ATOM 677 SG CYS A 49 -4.049 -7.655 -4.654 1.00 0.00 S ATOM 0 H CYS A 49 -0.514 -7.496 -3.651 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.322 -5.208 -3.650 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.958 -7.971 -2.571 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.010 -6.569 -2.545 1.00 0.00 H new ATOM 682 N ALA A 50 -1.994 -4.956 -1.191 1.00 0.00 N ATOM 683 CA ALA A 50 -1.822 -4.692 0.211 1.00 0.00 C ATOM 684 C ALA A 50 -3.174 -4.871 0.884 1.00 0.00 C ATOM 685 O ALA A 50 -4.176 -4.330 0.418 1.00 0.00 O ATOM 686 CB ALA A 50 -1.311 -3.263 0.399 1.00 0.00 C ATOM 0 H ALA A 50 -2.557 -4.247 -1.661 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.095 -5.374 0.653 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.180 -3.060 1.462 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.356 -3.148 -0.113 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.033 -2.561 -0.018 1.00 0.00 H new ATOM 692 N THR A 51 -3.181 -5.545 2.028 1.00 0.00 N ATOM 693 CA THR A 51 -4.310 -5.439 2.925 1.00 0.00 C ATOM 694 C THR A 51 -4.018 -4.169 3.713 1.00 0.00 C ATOM 695 O THR A 51 -3.047 -4.132 4.466 1.00 0.00 O ATOM 696 CB THR A 51 -4.375 -6.665 3.847 1.00 0.00 C ATOM 697 OG1 THR A 51 -4.350 -7.867 3.095 1.00 0.00 O ATOM 698 CG2 THR A 51 -5.664 -6.629 4.670 1.00 0.00 C ATOM 0 H THR A 51 -2.430 -6.158 2.346 1.00 0.00 H new ATOM 0 HA THR A 51 -5.271 -5.400 2.411 1.00 0.00 H new ATOM 0 HB THR A 51 -3.506 -6.637 4.505 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.391 -8.634 3.703 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.704 -7.502 5.322 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.684 -5.723 5.275 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.524 -6.637 4.000 1.00 0.00 H new ATOM 706 N ILE A 52 -4.781 -3.111 3.464 1.00 0.00 N ATOM 707 CA ILE A 52 -4.652 -1.833 4.143 1.00 0.00 C ATOM 708 C ILE A 52 -5.657 -1.845 5.292 1.00 0.00 C ATOM 709 O ILE A 52 -6.738 -2.404 5.110 1.00 0.00 O ATOM 710 CB ILE A 52 -4.933 -0.687 3.153 1.00 0.00 C ATOM 711 CG1 ILE A 52 -4.094 -0.819 1.868 1.00 0.00 C ATOM 712 CG2 ILE A 52 -4.660 0.669 3.814 1.00 0.00 C ATOM 713 CD1 ILE A 52 -4.339 0.330 0.884 1.00 0.00 C ATOM 0 H ILE A 52 -5.525 -3.122 2.766 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.645 -1.678 4.530 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.985 -0.751 2.874 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.036 -0.849 2.130 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.328 -1.766 1.381 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.863 1.469 3.102 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.305 0.786 4.685 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.617 0.718 4.127 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.723 0.187 -0.003 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.390 0.345 0.597 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.079 1.276 1.358 1.00 0.00 H new ATOM 725 N TRP A 53 -5.326 -1.251 6.442 1.00 0.00 N ATOM 726 CA TRP A 53 -6.212 -1.124 7.590 1.00 0.00 C ATOM 727 C TRP A 53 -6.356 0.322 8.071 1.00 0.00 C ATOM 728 O TRP A 53 -5.467 1.163 7.891 1.00 0.00 O ATOM 729 CB TRP A 53 -5.716 -1.957 8.773 1.00 0.00 C ATOM 730 CG TRP A 53 -5.924 -3.436 8.715 1.00 0.00 C ATOM 731 CD1 TRP A 53 -6.948 -4.115 9.283 1.00 0.00 C ATOM 732 CD2 TRP A 53 -5.006 -4.444 8.209 1.00 0.00 C ATOM 733 NE1 TRP A 53 -6.741 -5.470 9.127 1.00 0.00 N ATOM 734 CE2 TRP A 53 -5.543 -5.731 8.496 1.00 0.00 C ATOM 735 CE3 TRP A 53 -3.732 -4.392 7.612 1.00 0.00 C ATOM 736 CZ2 TRP A 53 -4.858 -6.910 8.174 1.00 0.00 C ATOM 737 CZ3 TRP A 53 -3.029 -5.566 7.294 1.00 0.00 C ATOM 738 CH2 TRP A 53 -3.587 -6.821 7.585 1.00 0.00 C ATOM 0 H TRP A 53 -4.408 -0.836 6.599 1.00 0.00 H new ATOM 0 HA TRP A 53 -7.181 -1.485 7.245 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.648 -1.773 8.889 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -6.204 -1.584 9.674 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -7.795 -3.666 9.781 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -7.393 -6.189 9.440 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -3.287 -3.432 7.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -5.302 -7.874 8.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -2.058 -5.503 6.825 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -3.036 -7.721 7.355 1.00 0.00 H new ATOM 749 N GLU A 54 -7.483 0.551 8.747 1.00 0.00 N ATOM 750 CA GLU A 54 -7.818 1.774 9.455 1.00 0.00 C ATOM 751 C GLU A 54 -7.040 1.887 10.766 1.00 0.00 C ATOM 752 O GLU A 54 -6.494 2.938 11.091 1.00 0.00 O ATOM 753 CB GLU A 54 -9.345 1.740 9.663 1.00 0.00 C ATOM 754 CG GLU A 54 -9.964 2.713 10.675 1.00 0.00 C ATOM 755 CD GLU A 54 -9.803 4.183 10.336 1.00 0.00 C ATOM 756 OE1 GLU A 54 -10.597 4.694 9.518 1.00 0.00 O ATOM 757 OE2 GLU A 54 -9.004 4.849 11.024 1.00 0.00 O ATOM 0 H GLU A 54 -8.220 -0.151 8.815 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.536 2.661 8.888 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.816 1.921 8.697 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.617 0.729 9.965 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.027 2.491 10.765 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.516 2.530 11.652 1.00 0.00 H new ATOM 764 N GLY A 55 -7.024 0.813 11.550 1.00 0.00 N ATOM 765 CA GLY A 55 -6.401 0.820 12.861 1.00 0.00 C ATOM 766 C GLY A 55 -4.910 1.113 12.765 1.00 0.00 C ATOM 767 O GLY A 55 -4.292 0.902 11.723 1.00 0.00 O ATOM 0 H GLY A 55 -7.442 -0.081 11.292 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.881 1.570 13.490 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.553 -0.146 13.343 1.00 0.00 H new ATOM 771 N SER A 56 -4.293 1.559 13.856 1.00 0.00 N ATOM 772 CA SER A 56 -2.901 1.982 13.851 1.00 0.00 C ATOM 773 C SER A 56 -1.962 0.787 13.968 1.00 0.00 C ATOM 774 O SER A 56 -1.111 0.747 14.858 1.00 0.00 O ATOM 775 CB SER A 56 -2.666 2.962 15.008 1.00 0.00 C ATOM 776 OG SER A 56 -3.729 3.885 15.146 1.00 0.00 O ATOM 0 H SER A 56 -4.746 1.636 14.767 1.00 0.00 H new ATOM 0 HA SER A 56 -2.688 2.477 12.904 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.548 2.404 15.937 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.735 3.504 14.841 1.00 0.00 H new ATOM 0 HG SER A 56 -3.614 4.394 15.975 1.00 0.00 H new ATOM 782 N GLY A 57 -2.099 -0.194 13.087 1.00 0.00 N ATOM 783 CA GLY A 57 -1.491 -1.487 13.199 1.00 0.00 C ATOM 784 C GLY A 57 -2.573 -2.543 13.072 1.00 0.00 C ATOM 785 O GLY A 57 -2.964 -3.151 14.062 1.00 0.00 O ATOM 0 H GLY A 57 -2.663 -0.093 12.243 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.739 -1.620 12.421 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.979 -1.583 14.157 1.00 0.00 H new ATOM 789 N CYS A 58 -3.040 -2.759 11.847 1.00 0.00 N ATOM 790 CA CYS A 58 -3.730 -3.960 11.408 1.00 0.00 C ATOM 791 C CYS A 58 -4.886 -4.402 12.297 1.00 0.00 C ATOM 792 O CYS A 58 -5.135 -5.597 12.453 1.00 0.00 O ATOM 793 CB CYS A 58 -2.758 -5.108 11.118 1.00 0.00 C ATOM 794 SG CYS A 58 -1.716 -5.596 12.510 1.00 0.00 S ATOM 0 H CYS A 58 -2.942 -2.069 11.102 1.00 0.00 H new ATOM 0 HA CYS A 58 -4.203 -3.673 10.469 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.331 -5.976 10.791 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.115 -4.819 10.286 1.00 0.00 H new ATOM 799 N VAL A 59 -5.651 -3.444 12.812 1.00 0.00 N ATOM 800 CA VAL A 59 -6.957 -3.646 13.384 1.00 0.00 C ATOM 801 C VAL A 59 -7.925 -2.691 12.677 1.00 0.00 C ATOM 802 O VAL A 59 -7.507 -1.894 11.840 1.00 0.00 O ATOM 803 CB VAL A 59 -6.865 -3.433 14.898 1.00 0.00 C ATOM 804 CG1 VAL A 59 -6.036 -4.541 15.561 1.00 0.00 C ATOM 805 CG2 VAL A 59 -6.326 -2.065 15.330 1.00 0.00 C ATOM 0 H VAL A 59 -5.355 -2.468 12.838 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.333 -4.659 13.238 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.899 -3.472 15.239 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.987 -4.365 16.636 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.503 -5.507 15.372 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.028 -4.539 15.147 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.299 -2.012 16.418 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.319 -1.929 14.935 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.976 -1.280 14.944 1.00 0.00 H new ATOM 815 N GLY A 60 -9.214 -2.758 12.993 1.00 0.00 N ATOM 816 CA GLY A 60 -10.210 -1.867 12.419 1.00 0.00 C ATOM 817 C GLY A 60 -10.675 -2.417 11.077 1.00 0.00 C ATOM 818 O GLY A 60 -10.563 -3.620 10.838 1.00 0.00 O ATOM 0 H GLY A 60 -9.596 -3.433 13.655 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -11.058 -1.769 13.097 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.789 -0.870 12.289 1.00 0.00 H new ATOM 822 N ARG A 61 -11.195 -1.552 10.207 1.00 0.00 N ATOM 823 CA ARG A 61 -11.576 -1.943 8.857 1.00 0.00 C ATOM 824 C ARG A 61 -10.322 -2.266 8.089 1.00 0.00 C ATOM 825 O ARG A 61 -9.273 -1.699 8.400 1.00 0.00 O ATOM 826 CB ARG A 61 -12.371 -0.822 8.168 1.00 0.00 C ATOM 827 CG ARG A 61 -12.851 -1.241 6.770 1.00 0.00 C ATOM 828 CD ARG A 61 -13.877 -0.252 6.218 1.00 0.00 C ATOM 829 NE ARG A 61 -14.367 -0.671 4.896 1.00 0.00 N ATOM 830 CZ ARG A 61 -15.343 -0.047 4.222 1.00 0.00 C ATOM 831 NH1 ARG A 61 -15.815 1.125 4.645 1.00 0.00 N ATOM 832 NH2 ARG A 61 -15.842 -0.623 3.136 1.00 0.00 N ATOM 0 H ARG A 61 -11.362 -0.568 10.419 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.223 -2.820 8.892 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.231 -0.555 8.783 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.748 0.069 8.087 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.999 -1.301 6.093 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.291 -2.237 6.817 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.715 -0.171 6.910 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.427 0.738 6.144 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.936 -1.489 4.465 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -15.433 1.554 5.488 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -16.558 1.593 4.126 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -15.482 -1.526 2.827 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -16.585 -0.163 2.610 1.00 0.00 H new ATOM 846 N SER A 62 -10.442 -3.130 7.083 1.00 0.00 N ATOM 847 CA SER A 62 -9.440 -3.199 6.055 1.00 0.00 C ATOM 848 C SER A 62 -10.059 -3.138 4.668 1.00 0.00 C ATOM 849 O SER A 62 -11.260 -3.352 4.510 1.00 0.00 O ATOM 850 CB SER A 62 -8.597 -4.464 6.223 1.00 0.00 C ATOM 851 OG SER A 62 -9.392 -5.618 6.452 1.00 0.00 O ATOM 0 H SER A 62 -11.220 -3.780 6.970 1.00 0.00 H new ATOM 0 HA SER A 62 -8.790 -2.330 6.158 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.991 -4.615 5.329 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.908 -4.330 7.057 1.00 0.00 H new ATOM 0 HG SER A 62 -8.811 -6.401 6.551 1.00 0.00 H new ATOM 857 N THR A 63 -9.220 -2.915 3.663 1.00 0.00 N ATOM 858 CA THR A 63 -9.541 -3.238 2.281 1.00 0.00 C ATOM 859 C THR A 63 -8.336 -3.961 1.686 1.00 0.00 C ATOM 860 O THR A 63 -7.223 -3.813 2.193 1.00 0.00 O ATOM 861 CB THR A 63 -9.961 -1.966 1.527 1.00 0.00 C ATOM 862 OG1 THR A 63 -11.090 -2.213 0.724 1.00 0.00 O ATOM 863 CG2 THR A 63 -8.854 -1.348 0.666 1.00 0.00 C ATOM 0 H THR A 63 -8.295 -2.503 3.786 1.00 0.00 H new ATOM 0 HA THR A 63 -10.398 -3.907 2.200 1.00 0.00 H new ATOM 0 HB THR A 63 -10.195 -1.239 2.305 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.343 -1.391 0.254 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.235 -0.456 0.169 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.009 -1.078 1.299 1.00 0.00 H new ATOM 0 HG23 THR A 63 -8.530 -2.070 -0.084 1.00 0.00 H new ATOM 871 N THR A 64 -8.549 -4.750 0.637 1.00 0.00 N ATOM 872 CA THR A 64 -7.516 -5.495 -0.049 1.00 0.00 C ATOM 873 C THR A 64 -7.211 -4.749 -1.346 1.00 0.00 C ATOM 874 O THR A 64 -7.783 -5.034 -2.403 1.00 0.00 O ATOM 875 CB THR A 64 -8.010 -6.935 -0.207 1.00 0.00 C ATOM 876 OG1 THR A 64 -9.354 -7.038 -0.657 1.00 0.00 O ATOM 877 CG2 THR A 64 -7.936 -7.602 1.169 1.00 0.00 C ATOM 0 H THR A 64 -9.476 -4.888 0.234 1.00 0.00 H new ATOM 0 HA THR A 64 -6.572 -5.566 0.491 1.00 0.00 H new ATOM 0 HB THR A 64 -7.380 -7.410 -0.959 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.601 -7.983 -0.737 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.282 -8.633 1.093 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.905 -7.590 1.524 1.00 0.00 H new ATOM 0 HG23 THR A 64 -8.568 -7.058 1.871 1.00 0.00 H new ATOM 885 N MET A 65 -6.407 -3.698 -1.228 1.00 0.00 N ATOM 886 CA MET A 65 -6.178 -2.743 -2.305 1.00 0.00 C ATOM 887 C MET A 65 -5.084 -3.317 -3.198 1.00 0.00 C ATOM 888 O MET A 65 -4.094 -3.826 -2.682 1.00 0.00 O ATOM 889 CB MET A 65 -5.787 -1.379 -1.711 1.00 0.00 C ATOM 890 CG MET A 65 -6.143 -0.195 -2.624 1.00 0.00 C ATOM 891 SD MET A 65 -5.264 -0.094 -4.204 1.00 0.00 S ATOM 892 CE MET A 65 -6.169 1.249 -4.995 1.00 0.00 C ATOM 0 H MET A 65 -5.892 -3.483 -0.374 1.00 0.00 H new ATOM 0 HA MET A 65 -7.077 -2.583 -2.900 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.287 -1.252 -0.751 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.715 -1.369 -1.516 1.00 0.00 H new ATOM 0 HG2 MET A 65 -7.212 -0.235 -2.831 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.959 0.727 -2.073 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.797 1.390 -6.010 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.230 1.002 -5.029 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.028 2.168 -4.426 1.00 0.00 H new ATOM 902 N CYS A 66 -5.251 -3.269 -4.519 1.00 0.00 N ATOM 903 CA CYS A 66 -4.340 -3.916 -5.455 1.00 0.00 C ATOM 904 C CYS A 66 -3.909 -2.893 -6.484 1.00 0.00 C ATOM 905 O CYS A 66 -4.750 -2.154 -6.992 1.00 0.00 O ATOM 906 CB CYS A 66 -5.025 -5.104 -6.123 1.00 0.00 C ATOM 907 SG CYS A 66 -5.646 -6.363 -4.994 1.00 0.00 S ATOM 0 H CYS A 66 -6.024 -2.779 -4.969 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.464 -4.294 -4.927 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.857 -4.734 -6.723 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.319 -5.571 -6.810 1.00 0.00 H new ATOM 912 N CYS A 67 -2.616 -2.826 -6.790 1.00 0.00 N ATOM 913 CA CYS A 67 -2.047 -1.749 -7.605 1.00 0.00 C ATOM 914 C CYS A 67 -1.075 -2.342 -8.639 1.00 0.00 C ATOM 915 O CYS A 67 -0.097 -2.976 -8.238 1.00 0.00 O ATOM 916 CB CYS A 67 -1.368 -0.714 -6.692 1.00 0.00 C ATOM 917 SG CYS A 67 -1.211 0.928 -7.441 1.00 0.00 S ATOM 0 H CYS A 67 -1.931 -3.515 -6.481 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.835 -1.234 -8.154 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.939 -0.629 -5.767 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.376 -1.076 -6.422 1.00 0.00 H new ATOM 922 N PRO A 68 -1.358 -2.265 -9.955 1.00 0.00 N ATOM 923 CA PRO A 68 -0.505 -2.860 -10.981 1.00 0.00 C ATOM 924 C PRO A 68 0.909 -2.275 -11.058 1.00 0.00 C ATOM 925 O PRO A 68 1.195 -1.213 -10.507 1.00 0.00 O ATOM 926 CB PRO A 68 -1.250 -2.727 -12.305 1.00 0.00 C ATOM 927 CG PRO A 68 -2.708 -2.682 -11.861 1.00 0.00 C ATOM 928 CD PRO A 68 -2.649 -1.923 -10.535 1.00 0.00 C ATOM 0 HA PRO A 68 -0.327 -3.904 -10.723 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.962 -1.824 -12.844 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.053 -3.570 -12.968 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.335 -2.169 -12.590 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.121 -3.683 -11.734 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.737 -0.848 -10.693 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.466 -2.217 -9.877 1.00 0.00 H new ATOM 936 N ALA A 69 1.807 -2.978 -11.756 1.00 0.00 N ATOM 937 CA ALA A 69 3.258 -2.808 -11.666 1.00 0.00 C ATOM 938 C ALA A 69 3.790 -1.614 -12.468 1.00 0.00 C ATOM 939 O ALA A 69 4.735 -1.736 -13.253 1.00 0.00 O ATOM 940 CB ALA A 69 3.899 -4.107 -12.153 1.00 0.00 C ATOM 0 H ALA A 69 1.534 -3.703 -12.419 1.00 0.00 H new ATOM 0 HA ALA A 69 3.516 -2.593 -10.629 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.984 -4.019 -12.101 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.571 -4.933 -11.522 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.600 -4.296 -13.184 1.00 0.00 H new ATOM 946 N ASN A 70 3.221 -0.442 -12.215 1.00 0.00 N ATOM 947 CA ASN A 70 3.334 0.812 -12.968 1.00 0.00 C ATOM 948 C ASN A 70 2.137 1.716 -12.681 1.00 0.00 C ATOM 949 O ASN A 70 1.919 2.676 -13.418 1.00 0.00 O ATOM 950 CB ASN A 70 3.378 0.572 -14.490 1.00 0.00 C ATOM 951 CG ASN A 70 2.363 -0.473 -14.895 1.00 0.00 C ATOM 952 OD1 ASN A 70 1.162 -0.326 -14.691 1.00 0.00 O ATOM 953 ND2 ASN A 70 2.893 -1.611 -15.315 1.00 0.00 N ATOM 0 H ASN A 70 2.612 -0.329 -11.405 1.00 0.00 H new ATOM 0 HA ASN A 70 4.265 1.280 -12.648 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.177 1.505 -15.016 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.377 0.249 -14.784 1.00 0.00 H new ATOM 0 HD21 ASN A 70 2.295 -2.420 -15.485 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.899 -1.679 -15.469 1.00 0.00 H new ATOM 960 N THR A 71 1.353 1.434 -11.644 1.00 0.00 N ATOM 961 CA THR A 71 0.202 2.234 -11.286 1.00 0.00 C ATOM 962 C THR A 71 0.558 3.060 -10.056 1.00 0.00 C ATOM 963 O THR A 71 1.147 2.547 -9.102 1.00 0.00 O ATOM 964 CB THR A 71 -0.995 1.312 -11.043 1.00 0.00 C ATOM 965 OG1 THR A 71 -1.259 0.592 -12.234 1.00 0.00 O ATOM 966 CG2 THR A 71 -2.265 2.093 -10.698 1.00 0.00 C ATOM 0 H THR A 71 1.506 0.636 -11.028 1.00 0.00 H new ATOM 0 HA THR A 71 -0.074 2.919 -12.088 1.00 0.00 H new ATOM 0 HB THR A 71 -0.742 0.659 -10.207 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.227 0.526 -12.368 1.00 0.00 H new ATOM 0 HG21 THR A 71 -3.087 1.396 -10.534 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.098 2.677 -9.793 1.00 0.00 H new ATOM 0 HG23 THR A 71 -2.515 2.763 -11.521 1.00 0.00 H new ATOM 974 N CYS A 72 0.169 4.330 -10.085 1.00 0.00 N ATOM 975 CA CYS A 72 0.036 5.164 -8.905 1.00 0.00 C ATOM 976 C CYS A 72 -1.412 5.038 -8.429 1.00 0.00 C ATOM 977 O CYS A 72 -2.330 5.196 -9.235 1.00 0.00 O ATOM 978 CB CYS A 72 0.349 6.613 -9.285 1.00 0.00 C ATOM 979 SG CYS A 72 -0.572 7.822 -8.341 1.00 0.00 S ATOM 0 H CYS A 72 -0.067 4.815 -10.951 1.00 0.00 H new ATOM 0 HA CYS A 72 0.722 4.859 -8.114 1.00 0.00 H new ATOM 0 HB2 CYS A 72 1.415 6.793 -9.146 1.00 0.00 H new ATOM 0 HB3 CYS A 72 0.137 6.755 -10.345 1.00 0.00 H new ATOM 984 N CYS A 73 -1.621 4.704 -7.156 1.00 0.00 N ATOM 985 CA CYS A 73 -2.919 4.485 -6.532 1.00 0.00 C ATOM 986 C CYS A 73 -3.041 5.464 -5.363 1.00 0.00 C ATOM 987 O CYS A 73 -2.069 5.653 -4.631 1.00 0.00 O ATOM 988 CB CYS A 73 -3.023 3.039 -6.026 1.00 0.00 C ATOM 989 SG CYS A 73 -3.141 1.744 -7.290 1.00 0.00 S ATOM 0 H CYS A 73 -0.849 4.573 -6.502 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.722 4.648 -7.251 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -2.151 2.831 -5.406 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.898 2.966 -5.380 1.00 0.00 H new ATOM 994 N ASN A 74 -4.194 6.116 -5.182 1.00 0.00 N ATOM 995 CA ASN A 74 -4.396 7.145 -4.160 1.00 0.00 C ATOM 996 C ASN A 74 -4.899 6.540 -2.852 1.00 0.00 C ATOM 997 O ASN A 74 -6.026 6.053 -2.777 1.00 0.00 O ATOM 998 CB ASN A 74 -5.412 8.189 -4.630 1.00 0.00 C ATOM 999 CG ASN A 74 -5.795 9.146 -3.508 1.00 0.00 C ATOM 1000 OD1 ASN A 74 -6.956 9.505 -3.363 1.00 0.00 O ATOM 1001 ND2 ASN A 74 -4.852 9.578 -2.674 1.00 0.00 N ATOM 0 H ASN A 74 -5.023 5.941 -5.749 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.428 7.617 -3.992 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.995 8.754 -5.464 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.305 7.687 -5.001 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.096 10.210 -1.911 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -3.885 9.277 -2.797 1.00 0.00 H new ATOM 1008 N ILE A 75 -4.088 6.605 -1.800 1.00 0.00 N ATOM 1009 CA ILE A 75 -4.394 6.061 -0.486 1.00 0.00 C ATOM 1010 C ILE A 75 -5.208 7.096 0.291 1.00 0.00 C ATOM 1011 O ILE A 75 -4.779 7.652 1.297 1.00 0.00 O ATOM 1012 CB ILE A 75 -3.084 5.548 0.157 1.00 0.00 C ATOM 1013 CG1 ILE A 75 -2.765 4.146 -0.350 1.00 0.00 C ATOM 1014 CG2 ILE A 75 -3.073 5.403 1.677 1.00 0.00 C ATOM 1015 CD1 ILE A 75 -2.849 4.024 -1.859 1.00 0.00 C ATOM 0 H ILE A 75 -3.172 7.052 -1.843 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.036 5.181 -0.511 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.369 6.322 -0.123 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.763 3.868 -0.025 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.456 3.436 0.105 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.099 5.036 2.000 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.266 6.372 2.136 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.846 4.697 1.981 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.611 3.002 -2.155 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.858 4.272 -2.188 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.138 4.710 -2.320 1.00 0.00 H new ATOM 1027 N ASN A 76 -6.422 7.353 -0.192 1.00 0.00 N ATOM 1028 CA ASN A 76 -7.467 8.024 0.570 1.00 0.00 C ATOM 1029 C ASN A 76 -8.715 7.177 0.420 1.00 0.00 C ATOM 1030 O ASN A 76 -9.645 7.559 -0.288 1.00 0.00 O ATOM 1031 CB ASN A 76 -7.747 9.450 0.070 1.00 0.00 C ATOM 1032 CG ASN A 76 -6.685 10.465 0.458 1.00 0.00 C ATOM 1033 OD1 ASN A 76 -5.906 10.907 -0.386 1.00 0.00 O ATOM 1034 ND2 ASN A 76 -6.670 10.902 1.711 1.00 0.00 N ATOM 0 H ASN A 76 -6.709 7.097 -1.137 1.00 0.00 H new ATOM 0 HA ASN A 76 -7.151 8.124 1.608 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.836 9.431 -1.016 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -8.709 9.779 0.463 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -6.003 11.620 1.993 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -7.326 10.520 2.392 1.00 0.00 H new ATOM 1041 N THR A 77 -8.766 6.033 1.088 1.00 0.00 N ATOM 1042 CA THR A 77 -9.949 5.191 1.075 1.00 0.00 C ATOM 1043 C THR A 77 -11.020 5.862 1.940 1.00 0.00 C ATOM 1044 O THR A 77 -10.798 6.935 2.504 1.00 0.00 O ATOM 1045 CB THR A 77 -9.562 3.797 1.603 1.00 0.00 C ATOM 1046 OG1 THR A 77 -8.332 3.854 2.301 1.00 0.00 O ATOM 1047 CG2 THR A 77 -9.405 2.804 0.453 1.00 0.00 C ATOM 0 H THR A 77 -7.996 5.667 1.648 1.00 0.00 H new ATOM 0 HA THR A 77 -10.351 5.067 0.070 1.00 0.00 H new ATOM 0 HB THR A 77 -10.360 3.470 2.270 1.00 0.00 H new ATOM 0 HG1 THR A 77 -8.291 3.122 2.952 1.00 0.00 H new ATOM 0 HG21 THR A 77 -9.132 1.827 0.851 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.347 2.724 -0.090 1.00 0.00 H new ATOM 0 HG23 THR A 77 -8.624 3.152 -0.224 1.00 0.00 H new ATOM 1055 N GLY A 78 -12.206 5.266 2.014 1.00 0.00 N ATOM 1056 CA GLY A 78 -13.295 5.845 2.778 1.00 0.00 C ATOM 1057 C GLY A 78 -13.014 5.787 4.280 1.00 0.00 C ATOM 1058 O GLY A 78 -13.455 6.649 5.038 1.00 0.00 O ATOM 0 H GLY A 78 -12.433 4.384 1.554 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.445 6.881 2.474 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -14.220 5.312 2.558 1.00 0.00 H new ATOM 1062 N PHE A 79 -12.275 4.771 4.720 1.00 0.00 N ATOM 1063 CA PHE A 79 -11.652 4.770 6.034 1.00 0.00 C ATOM 1064 C PHE A 79 -10.382 5.579 5.973 1.00 0.00 C ATOM 1065 O PHE A 79 -9.810 5.761 4.894 1.00 0.00 O ATOM 1066 CB PHE A 79 -11.393 3.349 6.548 1.00 0.00 C ATOM 1067 CG PHE A 79 -10.731 2.392 5.571 1.00 0.00 C ATOM 1068 CD1 PHE A 79 -11.451 1.857 4.485 1.00 0.00 C ATOM 1069 CD2 PHE A 79 -9.372 2.063 5.729 1.00 0.00 C ATOM 1070 CE1 PHE A 79 -10.777 1.131 3.490 1.00 0.00 C ATOM 1071 CE2 PHE A 79 -8.697 1.345 4.733 1.00 0.00 C ATOM 1072 CZ PHE A 79 -9.390 0.919 3.593 1.00 0.00 C ATOM 0 H PHE A 79 -12.094 3.929 4.174 1.00 0.00 H new ATOM 0 HA PHE A 79 -12.337 5.227 6.749 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -10.768 3.416 7.439 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -12.345 2.918 6.858 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -12.519 2.005 4.418 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.846 2.366 6.623 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -11.323 0.736 2.646 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -7.646 1.121 4.844 1.00 0.00 H new ATOM 0 HZ PHE A 79 -8.859 0.427 2.792 1.00 0.00 H new ATOM 1082 N TYR A 80 -9.968 6.093 7.129 1.00 0.00 N ATOM 1083 CA TYR A 80 -8.655 6.680 7.191 1.00 0.00 C ATOM 1084 C TYR A 80 -7.661 5.530 7.189 1.00 0.00 C ATOM 1085 O TYR A 80 -8.040 4.404 7.481 1.00 0.00 O ATOM 1086 CB TYR A 80 -8.477 7.595 8.399 1.00 0.00 C ATOM 1087 CG TYR A 80 -7.201 8.411 8.306 1.00 0.00 C ATOM 1088 CD1 TYR A 80 -7.088 9.401 7.309 1.00 0.00 C ATOM 1089 CD2 TYR A 80 -6.050 8.002 9.009 1.00 0.00 C ATOM 1090 CE1 TYR A 80 -5.826 9.923 6.975 1.00 0.00 C ATOM 1091 CE2 TYR A 80 -4.806 8.592 8.730 1.00 0.00 C ATOM 1092 CZ TYR A 80 -4.682 9.494 7.667 1.00 0.00 C ATOM 1093 OH TYR A 80 -3.451 9.955 7.319 1.00 0.00 O ATOM 0 H TYR A 80 -10.505 6.111 7.996 1.00 0.00 H new ATOM 0 HA TYR A 80 -8.492 7.330 6.331 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -9.333 8.266 8.476 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -8.459 6.996 9.309 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -7.972 9.759 6.801 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -6.125 7.233 9.764 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -5.736 10.655 6.186 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.945 8.350 9.336 1.00 0.00 H new ATOM 0 HH TYR A 80 -2.774 9.555 7.904 1.00 0.00 H new ATOM 1103 N ILE A 81 -6.416 5.783 6.808 1.00 0.00 N ATOM 1104 CA ILE A 81 -5.448 4.743 6.552 1.00 0.00 C ATOM 1105 C ILE A 81 -4.286 4.899 7.509 1.00 0.00 C ATOM 1106 O ILE A 81 -3.694 5.974 7.591 1.00 0.00 O ATOM 1107 CB ILE A 81 -4.962 4.790 5.116 1.00 0.00 C ATOM 1108 CG1 ILE A 81 -4.896 6.246 4.625 1.00 0.00 C ATOM 1109 CG2 ILE A 81 -5.895 3.908 4.281 1.00 0.00 C ATOM 1110 CD1 ILE A 81 -6.206 6.691 3.974 1.00 0.00 C ATOM 0 H ILE A 81 -6.054 6.726 6.669 1.00 0.00 H new ATOM 0 HA ILE A 81 -5.922 3.774 6.708 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.948 4.401 5.022 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -4.668 6.902 5.465 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.081 6.350 3.908 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.572 3.920 3.240 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -5.864 2.886 4.659 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -6.914 4.289 4.349 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -6.114 7.725 3.642 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.422 6.053 3.117 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.017 6.613 4.698 1.00 0.00 H new ATOM 1122 N ARG A 82 -3.994 3.846 8.261 1.00 0.00 N ATOM 1123 CA ARG A 82 -2.988 3.923 9.307 1.00 0.00 C ATOM 1124 C ARG A 82 -2.048 2.731 9.374 1.00 0.00 C ATOM 1125 O ARG A 82 -1.017 2.793 10.044 1.00 0.00 O ATOM 1126 CB ARG A 82 -3.683 4.262 10.618 1.00 0.00 C ATOM 1127 CG ARG A 82 -2.771 5.071 11.534 1.00 0.00 C ATOM 1128 CD ARG A 82 -3.672 5.702 12.593 1.00 0.00 C ATOM 1129 NE ARG A 82 -2.927 6.059 13.805 1.00 0.00 N ATOM 1130 CZ ARG A 82 -2.014 7.029 13.918 1.00 0.00 C ATOM 1131 NH1 ARG A 82 -1.738 7.823 12.885 1.00 0.00 N ATOM 1132 NH2 ARG A 82 -1.363 7.215 15.061 1.00 0.00 N ATOM 0 H ARG A 82 -4.438 2.933 8.165 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.294 4.728 9.064 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.592 4.827 10.415 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -3.985 3.343 11.121 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.018 4.432 11.996 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.237 5.837 10.972 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -4.145 6.594 12.182 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.471 5.007 12.850 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.125 5.514 14.644 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -2.225 7.694 11.998 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -1.040 8.560 12.981 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -1.558 6.615 15.862 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -0.668 7.958 15.137 1.00 0.00 H new ATOM 1146 N SER A 83 -2.367 1.639 8.692 1.00 0.00 N ATOM 1147 CA SER A 83 -1.391 0.574 8.481 1.00 0.00 C ATOM 1148 C SER A 83 -1.730 -0.218 7.223 1.00 0.00 C ATOM 1149 O SER A 83 -2.799 -0.025 6.649 1.00 0.00 O ATOM 1150 CB SER A 83 -1.334 -0.323 9.724 1.00 0.00 C ATOM 1151 OG SER A 83 -2.616 -0.500 10.287 1.00 0.00 O ATOM 0 H SER A 83 -3.283 1.466 8.279 1.00 0.00 H new ATOM 0 HA SER A 83 -0.402 1.008 8.331 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.915 -1.293 9.456 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.667 0.119 10.464 1.00 0.00 H new ATOM 0 HG SER A 83 -2.985 0.372 10.541 1.00 0.00 H new ATOM 1157 N TYR A 84 -0.837 -1.110 6.790 1.00 0.00 N ATOM 1158 CA TYR A 84 -1.102 -2.048 5.715 1.00 0.00 C ATOM 1159 C TYR A 84 -0.046 -3.139 5.744 1.00 0.00 C ATOM 1160 O TYR A 84 0.972 -2.986 6.428 1.00 0.00 O ATOM 1161 CB TYR A 84 -1.117 -1.362 4.335 1.00 0.00 C ATOM 1162 CG TYR A 84 0.229 -0.983 3.752 1.00 0.00 C ATOM 1163 CD1 TYR A 84 0.974 -1.918 3.008 1.00 0.00 C ATOM 1164 CD2 TYR A 84 0.678 0.344 3.838 1.00 0.00 C ATOM 1165 CE1 TYR A 84 2.228 -1.574 2.481 1.00 0.00 C ATOM 1166 CE2 TYR A 84 1.925 0.694 3.299 1.00 0.00 C ATOM 1167 CZ TYR A 84 2.690 -0.257 2.607 1.00 0.00 C ATOM 1168 OH TYR A 84 3.823 0.133 1.970 1.00 0.00 O ATOM 0 H TYR A 84 0.099 -1.197 7.185 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.093 -2.474 5.870 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.619 -2.025 3.630 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -1.723 -0.459 4.410 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.577 -2.908 2.842 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.066 1.093 4.318 1.00 0.00 H new ATOM 0 HE1 TYR A 84 2.832 -2.318 1.983 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.298 1.701 3.417 1.00 0.00 H new ATOM 0 HH TYR A 84 4.288 -0.655 1.617 1.00 0.00 H new ATOM 1178 N ARG A 85 -0.244 -4.195 4.955 1.00 0.00 N ATOM 1179 CA ARG A 85 0.867 -5.042 4.557 1.00 0.00 C ATOM 1180 C ARG A 85 0.637 -5.749 3.228 1.00 0.00 C ATOM 1181 O ARG A 85 -0.501 -6.078 2.896 1.00 0.00 O ATOM 1182 CB ARG A 85 1.292 -6.000 5.676 1.00 0.00 C ATOM 1183 CG ARG A 85 2.808 -6.187 5.678 1.00 0.00 C ATOM 1184 CD ARG A 85 3.512 -4.862 6.012 1.00 0.00 C ATOM 1185 NE ARG A 85 4.937 -5.066 6.199 1.00 0.00 N ATOM 1186 CZ ARG A 85 5.890 -4.141 6.118 1.00 0.00 C ATOM 1187 NH1 ARG A 85 5.594 -2.880 5.791 1.00 0.00 N ATOM 1188 NH2 ARG A 85 7.145 -4.516 6.353 1.00 0.00 N ATOM 0 H ARG A 85 -1.152 -4.477 4.586 1.00 0.00 H new ATOM 0 HA ARG A 85 1.710 -4.374 4.384 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.967 -5.608 6.640 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.802 -6.964 5.542 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.086 -6.948 6.408 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.138 -6.545 4.703 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.346 -4.144 5.209 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.080 -4.434 6.916 1.00 0.00 H new ATOM 0 HE ARG A 85 5.239 -6.016 6.415 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.627 -2.616 5.600 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.335 -2.181 5.733 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.352 -5.487 6.587 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.900 -3.832 6.299 1.00 0.00 H new ATOM 1202 N ARG A 86 1.713 -5.915 2.450 1.00 0.00 N ATOM 1203 CA ARG A 86 1.663 -6.608 1.175 1.00 0.00 C ATOM 1204 C ARG A 86 1.384 -8.091 1.404 1.00 0.00 C ATOM 1205 O ARG A 86 2.018 -8.713 2.257 1.00 0.00 O ATOM 1206 CB ARG A 86 2.956 -6.357 0.388 1.00 0.00 C ATOM 1207 CG ARG A 86 3.169 -7.368 -0.745 1.00 0.00 C ATOM 1208 CD ARG A 86 3.851 -6.758 -1.971 1.00 0.00 C ATOM 1209 NE ARG A 86 2.843 -6.133 -2.841 1.00 0.00 N ATOM 1210 CZ ARG A 86 3.119 -5.600 -4.035 1.00 0.00 C ATOM 1211 NH1 ARG A 86 4.382 -5.491 -4.421 1.00 0.00 N ATOM 1212 NH2 ARG A 86 2.157 -5.154 -4.838 1.00 0.00 N ATOM 0 H ARG A 86 2.641 -5.569 2.695 1.00 0.00 H new ATOM 0 HA ARG A 86 0.845 -6.219 0.568 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.932 -5.350 -0.029 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.805 -6.399 1.070 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.772 -8.197 -0.376 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.205 -7.782 -1.041 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.586 -6.016 -1.659 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.391 -7.530 -2.520 1.00 0.00 H new ATOM 0 HE ARG A 86 1.877 -6.105 -2.514 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.132 -5.812 -3.809 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.604 -5.086 -5.330 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.181 -5.214 -4.547 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.395 -4.752 -5.744 1.00 0.00 H new ATOM 1226 N VAL A 87 0.458 -8.648 0.625 1.00 0.00 N ATOM 1227 CA VAL A 87 0.153 -10.073 0.611 1.00 0.00 C ATOM 1228 C VAL A 87 0.559 -10.726 -0.716 1.00 0.00 C ATOM 1229 O VAL A 87 0.937 -11.901 -0.734 1.00 0.00 O ATOM 1230 CB VAL A 87 -1.322 -10.312 0.956 1.00 0.00 C ATOM 1231 CG1 VAL A 87 -1.610 -9.923 2.412 1.00 0.00 C ATOM 1232 CG2 VAL A 87 -2.258 -9.538 0.027 1.00 0.00 C ATOM 0 H VAL A 87 -0.111 -8.108 -0.026 1.00 0.00 H new ATOM 0 HA VAL A 87 0.750 -10.558 1.383 1.00 0.00 H new ATOM 0 HB VAL A 87 -1.510 -11.377 0.821 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.662 -10.101 2.635 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.991 -10.524 3.078 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.381 -8.867 2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.293 -9.736 0.306 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.056 -8.470 0.114 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.093 -9.855 -1.003 1.00 0.00 H new ATOM 1242 N GLU A 88 0.509 -9.983 -1.816 1.00 0.00 N ATOM 1243 CA GLU A 88 0.981 -10.394 -3.122 1.00 0.00 C ATOM 1244 C GLU A 88 1.507 -9.139 -3.807 1.00 0.00 C ATOM 1245 CB GLU A 88 -0.128 -11.078 -3.932 1.00 0.00 C ATOM 1246 CG GLU A 88 -1.498 -10.397 -3.796 1.00 0.00 C ATOM 1247 CD GLU A 88 -2.313 -10.472 -5.068 1.00 0.00 C ATOM 1248 OE1 GLU A 88 -1.755 -10.154 -6.139 1.00 0.00 O ATOM 1249 OE2 GLU A 88 -3.507 -10.821 -4.990 1.00 0.00 O ATOM 0 H GLU A 88 0.121 -9.040 -1.816 1.00 0.00 H new ATOM 0 HA GLU A 88 1.773 -11.139 -3.037 1.00 0.00 H new ATOM 0 HB2 GLU A 88 0.158 -11.093 -4.984 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.214 -12.116 -3.610 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.054 -10.866 -2.984 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.355 -9.352 -3.522 1.00 0.00 H new