USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 822 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 166:sc= -0.0126 (180deg=-0.253) USER MOD Single : A 2 GLN : amide:sc= -0.395 K(o=-0.39,f=-2.8!) USER MOD Single : A 4 ASN : amide:sc= -6.26! C(o=-6.3!,f=-13!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0851 USER MOD Single : A 10 GLN : amide:sc= -0.137 K(o=-0.14,f=-0.85) USER MOD Single : A 13 GLN : amide:sc= -0.0785 X(o=-0.079,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -3:sc= 0.675 USER MOD Single : A 24 THR OG1 : rot -55:sc= 1.17 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -127:sc= 0.814 USER MOD Single : A 32 HIS : no HD1:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 142:sc= -2.15! USER MOD Single : A 52 THR OG1 : rot 180:sc= -1.22 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 24:sc= -5.31! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0563 USER MOD Single : A 62 THR OG1 : rot 180:sc= -1.3 USER MOD Single : A 65 THR OG1 : rot 79:sc= -5.42! USER MOD Single : A 67 THR OG1 : rot -170:sc= -1.06 USER MOD Single : A 69 LYS NZ :NH3+ -160:sc= 0.917 (180deg=0.326) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= -0.224 K(o=-0.22,f=-1.6!) USER MOD Single : A 76 MET CE :methyl 173:sc= 0 (180deg=-0.0768) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= -1.48 USER MOD Single : A 92 GLN : amide:sc= -1.25 K(o=-1.2,f=-0.58) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0347 X(o=-0.035,f=-0.17) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot -42:sc= 0.695 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.837 12.673 10.192 1.00 0.00 N ATOM 2 CA MET A 1 -15.407 12.012 11.413 1.00 0.00 C ATOM 3 C MET A 1 -14.911 10.594 11.123 1.00 0.00 C ATOM 4 O MET A 1 -15.140 9.679 11.912 1.00 0.00 O ATOM 5 CB MET A 1 -16.576 11.953 12.399 1.00 0.00 C ATOM 6 CG MET A 1 -16.574 13.171 13.325 1.00 0.00 C ATOM 7 SD MET A 1 -17.968 13.095 14.437 1.00 0.00 S ATOM 8 CE MET A 1 -17.713 14.602 15.358 1.00 0.00 C ATOM 0 H1 MET A 1 -16.382 13.526 10.432 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.004 12.941 9.630 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.434 12.026 9.638 1.00 0.00 H new ATOM 0 HA MET A 1 -14.585 12.583 11.844 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.517 11.910 11.851 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.511 11.041 12.992 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.645 13.203 13.895 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.618 14.087 12.735 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.502 14.712 16.102 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.745 14.563 15.858 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.736 15.453 14.677 1.00 0.00 H new ATOM 18 N GLN A 2 -14.241 10.456 9.988 1.00 0.00 N ATOM 19 CA GLN A 2 -13.710 9.166 9.584 1.00 0.00 C ATOM 20 C GLN A 2 -12.277 9.318 9.071 1.00 0.00 C ATOM 21 O GLN A 2 -12.025 10.082 8.141 1.00 0.00 O ATOM 22 CB GLN A 2 -14.604 8.511 8.529 1.00 0.00 C ATOM 23 CG GLN A 2 -13.983 7.211 8.014 1.00 0.00 C ATOM 24 CD GLN A 2 -14.785 5.996 8.486 1.00 0.00 C ATOM 25 OE1 GLN A 2 -15.724 6.101 9.258 1.00 0.00 O ATOM 26 NE2 GLN A 2 -14.364 4.841 7.980 1.00 0.00 N ATOM 0 H GLN A 2 -14.054 11.217 9.335 1.00 0.00 H new ATOM 0 HA GLN A 2 -13.695 8.512 10.456 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -15.585 8.305 8.956 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -14.756 9.200 7.698 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -13.948 7.227 6.925 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -12.954 7.131 8.365 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -13.571 4.824 7.338 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -14.834 3.972 8.233 1.00 0.00 H new ATOM 35 N PRO A 3 -11.352 8.558 9.716 1.00 0.00 N ATOM 36 CA PRO A 3 -9.950 8.602 9.335 1.00 0.00 C ATOM 37 C PRO A 3 -9.714 7.841 8.028 1.00 0.00 C ATOM 38 O PRO A 3 -10.634 7.230 7.487 1.00 0.00 O ATOM 39 CB PRO A 3 -9.203 8.002 10.514 1.00 0.00 C ATOM 40 CG PRO A 3 -10.237 7.224 11.311 1.00 0.00 C ATOM 41 CD PRO A 3 -11.614 7.642 10.822 1.00 0.00 C ATOM 0 HA PRO A 3 -9.600 9.614 9.133 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.399 7.349 10.175 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.745 8.781 11.124 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.094 6.152 11.178 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.132 7.430 12.376 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.196 6.781 10.494 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.184 8.129 11.613 1.00 0.00 H new ATOM 49 N ASN A 4 -8.476 7.904 7.560 1.00 0.00 N ATOM 50 CA ASN A 4 -8.108 7.229 6.327 1.00 0.00 C ATOM 51 C ASN A 4 -8.434 5.739 6.450 1.00 0.00 C ATOM 52 O ASN A 4 -8.814 5.269 7.521 1.00 0.00 O ATOM 53 CB ASN A 4 -6.609 7.364 6.052 1.00 0.00 C ATOM 54 CG ASN A 4 -6.287 7.034 4.593 1.00 0.00 C ATOM 55 OD1 ASN A 4 -6.026 5.899 4.229 1.00 0.00 O ATOM 56 ND2 ASN A 4 -6.320 8.087 3.781 1.00 0.00 N ATOM 0 H ASN A 4 -7.716 8.412 8.012 1.00 0.00 H new ATOM 0 HA ASN A 4 -8.667 7.687 5.511 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.284 8.379 6.279 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.053 6.697 6.711 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -6.119 7.971 2.788 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.546 9.010 4.152 1.00 0.00 H new ATOM 63 N ASP A 5 -8.273 5.037 5.337 1.00 0.00 N ATOM 64 CA ASP A 5 -8.545 3.610 5.306 1.00 0.00 C ATOM 65 C ASP A 5 -7.247 2.854 5.017 1.00 0.00 C ATOM 66 O ASP A 5 -7.013 1.781 5.572 1.00 0.00 O ATOM 67 CB ASP A 5 -9.550 3.265 4.205 1.00 0.00 C ATOM 68 CG ASP A 5 -10.964 3.804 4.427 1.00 0.00 C ATOM 69 OD1 ASP A 5 -11.650 3.423 5.388 1.00 0.00 O ATOM 70 OD2 ASP A 5 -11.363 4.664 3.552 1.00 0.00 O ATOM 0 H ASP A 5 -7.958 5.430 4.450 1.00 0.00 H new ATOM 0 HA ASP A 5 -8.958 3.324 6.273 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -9.175 3.652 3.258 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -9.602 2.181 4.108 1.00 0.00 H new ATOM 76 N ILE A 6 -6.438 3.442 4.148 1.00 0.00 N ATOM 77 CA ILE A 6 -5.170 2.837 3.778 1.00 0.00 C ATOM 78 C ILE A 6 -4.207 3.929 3.309 1.00 0.00 C ATOM 79 O ILE A 6 -4.590 4.814 2.546 1.00 0.00 O ATOM 80 CB ILE A 6 -5.387 1.724 2.750 1.00 0.00 C ATOM 81 CG1 ILE A 6 -4.051 1.204 2.215 1.00 0.00 C ATOM 82 CG2 ILE A 6 -6.313 2.191 1.625 1.00 0.00 C ATOM 83 CD1 ILE A 6 -4.209 -0.193 1.612 1.00 0.00 C ATOM 0 H ILE A 6 -6.636 4.331 3.689 1.00 0.00 H new ATOM 0 HA ILE A 6 -4.711 2.356 4.641 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.881 0.889 3.248 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.666 1.889 1.459 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.318 1.175 3.022 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.451 1.382 0.908 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.279 2.474 2.043 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.869 3.050 1.122 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.245 -0.539 1.239 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.571 -0.881 2.377 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.924 -0.156 0.790 1.00 0.00 H new ATOM 95 N THR A 7 -2.974 3.830 3.784 1.00 0.00 N ATOM 96 CA THR A 7 -1.953 4.798 3.423 1.00 0.00 C ATOM 97 C THR A 7 -1.006 4.209 2.376 1.00 0.00 C ATOM 98 O THR A 7 -0.947 2.993 2.202 1.00 0.00 O ATOM 99 CB THR A 7 -1.243 5.238 4.705 1.00 0.00 C ATOM 100 OG1 THR A 7 -1.238 4.068 5.518 1.00 0.00 O ATOM 101 CG2 THR A 7 -2.062 6.248 5.511 1.00 0.00 C ATOM 0 H THR A 7 -2.659 3.094 4.416 1.00 0.00 H new ATOM 0 HA THR A 7 -2.392 5.681 2.959 1.00 0.00 H new ATOM 0 HB THR A 7 -0.276 5.674 4.453 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.794 4.263 6.370 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.513 6.527 6.410 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.242 7.136 4.906 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.016 5.801 5.792 1.00 0.00 H new ATOM 109 N PHE A 8 -0.289 5.099 1.705 1.00 0.00 N ATOM 110 CA PHE A 8 0.653 4.682 0.680 1.00 0.00 C ATOM 111 C PHE A 8 1.869 5.609 0.643 1.00 0.00 C ATOM 112 O PHE A 8 1.745 6.790 0.322 1.00 0.00 O ATOM 113 CB PHE A 8 -0.079 4.767 -0.661 1.00 0.00 C ATOM 114 CG PHE A 8 -1.370 3.948 -0.718 1.00 0.00 C ATOM 115 CD1 PHE A 8 -2.514 4.442 -0.173 1.00 0.00 C ATOM 116 CD2 PHE A 8 -1.374 2.725 -1.314 1.00 0.00 C ATOM 117 CE1 PHE A 8 -3.712 3.682 -0.227 1.00 0.00 C ATOM 118 CE2 PHE A 8 -2.572 1.965 -1.367 1.00 0.00 C ATOM 119 CZ PHE A 8 -3.716 2.459 -0.823 1.00 0.00 C ATOM 0 H PHE A 8 -0.342 6.107 1.851 1.00 0.00 H new ATOM 0 HA PHE A 8 1.006 3.672 0.888 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -0.313 5.811 -0.870 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.590 4.426 -1.451 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.511 5.412 0.301 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.466 2.332 -1.747 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.620 4.075 0.205 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.575 0.994 -1.840 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.627 1.881 -0.864 1.00 0.00 H new ATOM 129 N PHE A 9 3.018 5.039 0.977 1.00 0.00 N ATOM 130 CA PHE A 9 4.256 5.799 0.986 1.00 0.00 C ATOM 131 C PHE A 9 4.424 6.588 -0.314 1.00 0.00 C ATOM 132 O PHE A 9 3.715 6.344 -1.289 1.00 0.00 O ATOM 133 CB PHE A 9 5.400 4.790 1.108 1.00 0.00 C ATOM 134 CG PHE A 9 6.763 5.425 1.391 1.00 0.00 C ATOM 135 CD1 PHE A 9 6.851 6.511 2.206 1.00 0.00 C ATOM 136 CD2 PHE A 9 7.886 4.905 0.828 1.00 0.00 C ATOM 137 CE1 PHE A 9 8.115 7.100 2.469 1.00 0.00 C ATOM 138 CE2 PHE A 9 9.150 5.495 1.091 1.00 0.00 C ATOM 139 CZ PHE A 9 9.239 6.580 1.906 1.00 0.00 C ATOM 0 H PHE A 9 3.117 4.059 1.243 1.00 0.00 H new ATOM 0 HA PHE A 9 4.250 6.509 1.813 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.166 4.086 1.906 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.463 4.215 0.184 1.00 0.00 H new ATOM 0 HD1 PHE A 9 5.959 6.925 2.653 1.00 0.00 H new ATOM 0 HD2 PHE A 9 7.816 4.043 0.181 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.185 7.962 3.116 1.00 0.00 H new ATOM 0 HE2 PHE A 9 10.042 5.082 0.643 1.00 0.00 H new ATOM 0 HZ PHE A 9 10.201 7.028 2.106 1.00 0.00 H new ATOM 149 N GLN A 10 5.368 7.519 -0.286 1.00 0.00 N ATOM 150 CA GLN A 10 5.638 8.345 -1.450 1.00 0.00 C ATOM 151 C GLN A 10 5.904 7.467 -2.674 1.00 0.00 C ATOM 152 O GLN A 10 5.377 7.726 -3.755 1.00 0.00 O ATOM 153 CB GLN A 10 6.811 9.292 -1.189 1.00 0.00 C ATOM 154 CG GLN A 10 7.911 8.594 -0.387 1.00 0.00 C ATOM 155 CD GLN A 10 9.274 8.768 -1.059 1.00 0.00 C ATOM 156 OE1 GLN A 10 9.406 8.733 -2.272 1.00 0.00 O ATOM 157 NE2 GLN A 10 10.278 8.955 -0.207 1.00 0.00 N ATOM 0 H GLN A 10 5.954 7.719 0.524 1.00 0.00 H new ATOM 0 HA GLN A 10 4.758 8.956 -1.650 1.00 0.00 H new ATOM 0 HB2 GLN A 10 7.216 9.645 -2.137 1.00 0.00 H new ATOM 0 HB3 GLN A 10 6.461 10.169 -0.645 1.00 0.00 H new ATOM 0 HG2 GLN A 10 7.945 9.003 0.623 1.00 0.00 H new ATOM 0 HG3 GLN A 10 7.680 7.533 -0.294 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.098 8.974 0.797 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.228 9.080 -0.557 1.00 0.00 H new ATOM 166 N ARG A 11 6.722 6.446 -2.464 1.00 0.00 N ATOM 167 CA ARG A 11 7.064 5.528 -3.537 1.00 0.00 C ATOM 168 C ARG A 11 5.810 4.812 -4.044 1.00 0.00 C ATOM 169 O ARG A 11 5.579 4.735 -5.249 1.00 0.00 O ATOM 170 CB ARG A 11 8.082 4.487 -3.068 1.00 0.00 C ATOM 171 CG ARG A 11 9.328 5.161 -2.489 1.00 0.00 C ATOM 172 CD ARG A 11 10.604 4.529 -3.049 1.00 0.00 C ATOM 173 NE ARG A 11 11.522 5.585 -3.530 1.00 0.00 N ATOM 174 CZ ARG A 11 12.627 5.348 -4.269 1.00 0.00 C ATOM 175 NH1 ARG A 11 12.961 4.087 -4.617 1.00 0.00 N ATOM 176 NH2 ARG A 11 13.377 6.367 -4.644 1.00 0.00 N ATOM 0 H ARG A 11 7.158 6.234 -1.566 1.00 0.00 H new ATOM 0 HA ARG A 11 7.504 6.113 -4.345 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.629 3.844 -2.314 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.365 3.848 -3.904 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.312 6.225 -2.723 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.321 5.074 -1.403 1.00 0.00 H new ATOM 0 HD2 ARG A 11 11.093 3.933 -2.278 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.356 3.851 -3.866 1.00 0.00 H new ATOM 0 HE ARG A 11 11.307 6.552 -3.288 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.377 3.305 -4.322 1.00 0.00 H new ATOM 0 HH12 ARG A 11 13.797 3.917 -5.175 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.119 7.316 -4.375 1.00 0.00 H new ATOM 0 HH22 ARG A 11 14.215 6.205 -5.203 1.00 0.00 H new ATOM 189 N PHE A 12 5.033 4.307 -3.097 1.00 0.00 N ATOM 190 CA PHE A 12 3.808 3.600 -3.432 1.00 0.00 C ATOM 191 C PHE A 12 2.797 4.538 -4.094 1.00 0.00 C ATOM 192 O PHE A 12 2.109 4.150 -5.037 1.00 0.00 O ATOM 193 CB PHE A 12 3.219 3.079 -2.119 1.00 0.00 C ATOM 194 CG PHE A 12 2.712 1.637 -2.194 1.00 0.00 C ATOM 195 CD1 PHE A 12 1.517 1.367 -2.784 1.00 0.00 C ATOM 196 CD2 PHE A 12 3.456 0.626 -1.671 1.00 0.00 C ATOM 197 CE1 PHE A 12 1.045 0.029 -2.854 1.00 0.00 C ATOM 198 CE2 PHE A 12 2.985 -0.711 -1.740 1.00 0.00 C ATOM 199 CZ PHE A 12 1.789 -0.982 -2.330 1.00 0.00 C ATOM 0 H PHE A 12 5.228 4.373 -2.098 1.00 0.00 H new ATOM 0 HA PHE A 12 4.024 2.791 -4.130 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.978 3.146 -1.340 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.396 3.728 -1.819 1.00 0.00 H new ATOM 0 HD1 PHE A 12 0.926 2.170 -3.200 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.405 0.841 -1.203 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.096 -0.185 -3.323 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.576 -1.514 -1.324 1.00 0.00 H new ATOM 0 HZ PHE A 12 1.431 -1.999 -2.382 1.00 0.00 H new ATOM 209 N GLN A 13 2.739 5.755 -3.574 1.00 0.00 N ATOM 210 CA GLN A 13 1.823 6.752 -4.102 1.00 0.00 C ATOM 211 C GLN A 13 2.204 7.113 -5.539 1.00 0.00 C ATOM 212 O GLN A 13 1.344 7.175 -6.416 1.00 0.00 O ATOM 213 CB GLN A 13 1.795 7.997 -3.213 1.00 0.00 C ATOM 214 CG GLN A 13 0.451 8.127 -2.494 1.00 0.00 C ATOM 215 CD GLN A 13 -0.348 9.315 -3.034 1.00 0.00 C ATOM 216 OE1 GLN A 13 -1.254 9.172 -3.838 1.00 0.00 O ATOM 217 NE2 GLN A 13 0.038 10.491 -2.549 1.00 0.00 N ATOM 0 H GLN A 13 3.312 6.074 -2.792 1.00 0.00 H new ATOM 0 HA GLN A 13 0.819 6.328 -4.108 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.600 7.943 -2.480 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.975 8.885 -3.819 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.124 7.210 -2.622 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.618 8.253 -1.424 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.805 10.539 -1.878 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.433 11.345 -2.848 1.00 0.00 H new ATOM 226 N ASP A 14 3.494 7.343 -5.736 1.00 0.00 N ATOM 227 CA ASP A 14 3.999 7.696 -7.052 1.00 0.00 C ATOM 228 C ASP A 14 3.629 6.596 -8.048 1.00 0.00 C ATOM 229 O ASP A 14 3.148 6.881 -9.143 1.00 0.00 O ATOM 230 CB ASP A 14 5.523 7.830 -7.039 1.00 0.00 C ATOM 231 CG ASP A 14 6.171 7.982 -8.417 1.00 0.00 C ATOM 232 OD1 ASP A 14 5.992 9.003 -9.097 1.00 0.00 O ATOM 233 OD2 ASP A 14 6.895 6.982 -8.792 1.00 0.00 O ATOM 0 H ASP A 14 4.205 7.292 -5.006 1.00 0.00 H new ATOM 0 HA ASP A 14 3.556 8.650 -7.339 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.791 8.694 -6.431 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.946 6.952 -6.550 1.00 0.00 H new ATOM 239 N ASP A 15 3.868 5.361 -7.632 1.00 0.00 N ATOM 240 CA ASP A 15 3.566 4.216 -8.475 1.00 0.00 C ATOM 241 C ASP A 15 2.091 4.259 -8.877 1.00 0.00 C ATOM 242 O ASP A 15 1.758 4.086 -10.048 1.00 0.00 O ATOM 243 CB ASP A 15 3.815 2.903 -7.729 1.00 0.00 C ATOM 244 CG ASP A 15 4.691 1.893 -8.473 1.00 0.00 C ATOM 245 OD1 ASP A 15 5.008 2.074 -9.658 1.00 0.00 O ATOM 246 OD2 ASP A 15 5.056 0.871 -7.776 1.00 0.00 O ATOM 0 H ASP A 15 4.267 5.128 -6.723 1.00 0.00 H new ATOM 0 HA ASP A 15 4.213 4.262 -9.351 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.282 3.130 -6.771 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.853 2.437 -7.513 1.00 0.00 H new ATOM 252 N ILE A 16 1.246 4.492 -7.883 1.00 0.00 N ATOM 253 CA ILE A 16 -0.186 4.560 -8.118 1.00 0.00 C ATOM 254 C ILE A 16 -0.473 5.619 -9.184 1.00 0.00 C ATOM 255 O ILE A 16 -1.293 5.402 -10.075 1.00 0.00 O ATOM 256 CB ILE A 16 -0.935 4.791 -6.804 1.00 0.00 C ATOM 257 CG1 ILE A 16 -0.669 3.654 -5.815 1.00 0.00 C ATOM 258 CG2 ILE A 16 -2.430 4.996 -7.054 1.00 0.00 C ATOM 259 CD1 ILE A 16 -0.724 4.160 -4.371 1.00 0.00 C ATOM 0 H ILE A 16 1.526 4.636 -6.913 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.554 3.610 -8.504 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.556 5.707 -6.351 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.407 2.864 -5.956 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.309 3.216 -6.014 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.939 5.158 -6.104 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.576 5.864 -7.696 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.842 4.112 -7.540 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.532 3.333 -3.688 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.031 4.932 -4.227 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.711 4.576 -4.168 1.00 0.00 H new ATOM 271 N LEU A 17 0.217 6.743 -9.057 1.00 0.00 N ATOM 272 CA LEU A 17 0.046 7.837 -9.998 1.00 0.00 C ATOM 273 C LEU A 17 0.379 7.347 -11.409 1.00 0.00 C ATOM 274 O LEU A 17 -0.099 7.908 -12.394 1.00 0.00 O ATOM 275 CB LEU A 17 0.866 9.053 -9.561 1.00 0.00 C ATOM 276 CG LEU A 17 1.972 9.496 -10.520 1.00 0.00 C ATOM 277 CD1 LEU A 17 1.384 10.151 -11.771 1.00 0.00 C ATOM 278 CD2 LEU A 17 2.977 10.409 -9.814 1.00 0.00 C ATOM 0 H LEU A 17 0.896 6.920 -8.316 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.992 8.169 -10.011 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.185 9.891 -9.412 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.318 8.833 -8.594 1.00 0.00 H new ATOM 0 HG LEU A 17 2.516 8.609 -10.846 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.192 10.457 -12.436 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.740 9.438 -12.286 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.800 11.026 -11.484 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.753 10.709 -10.518 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.464 11.295 -9.440 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.431 9.874 -8.980 1.00 0.00 H new ATOM 290 N ALA A 18 1.195 6.305 -11.462 1.00 0.00 N ATOM 291 CA ALA A 18 1.597 5.732 -12.735 1.00 0.00 C ATOM 292 C ALA A 18 0.437 4.920 -13.313 1.00 0.00 C ATOM 293 O ALA A 18 0.509 4.446 -14.446 1.00 0.00 O ATOM 294 CB ALA A 18 2.859 4.890 -12.541 1.00 0.00 C ATOM 0 H ALA A 18 1.589 5.842 -10.643 1.00 0.00 H new ATOM 0 HA ALA A 18 1.837 6.518 -13.451 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.160 4.460 -13.496 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.661 5.520 -12.157 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.656 4.089 -11.831 1.00 0.00 H new ATOM 300 N GLY A 19 -0.607 4.783 -12.508 1.00 0.00 N ATOM 301 CA GLY A 19 -1.781 4.036 -12.925 1.00 0.00 C ATOM 302 C GLY A 19 -1.593 2.537 -12.681 1.00 0.00 C ATOM 303 O GLY A 19 -2.483 1.874 -12.150 1.00 0.00 O ATOM 0 H GLY A 19 -0.664 5.177 -11.569 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.655 4.390 -12.378 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.973 4.215 -13.983 1.00 0.00 H new ATOM 307 N ARG A 20 -0.428 2.047 -13.080 1.00 0.00 N ATOM 308 CA ARG A 20 -0.112 0.639 -12.911 1.00 0.00 C ATOM 309 C ARG A 20 -0.659 0.128 -11.576 1.00 0.00 C ATOM 310 O ARG A 20 -0.054 0.348 -10.528 1.00 0.00 O ATOM 311 CB ARG A 20 1.399 0.404 -12.958 1.00 0.00 C ATOM 312 CG ARG A 20 1.857 0.061 -14.377 1.00 0.00 C ATOM 313 CD ARG A 20 3.015 0.961 -14.812 1.00 0.00 C ATOM 314 NE ARG A 20 3.169 0.913 -16.283 1.00 0.00 N ATOM 315 CZ ARG A 20 3.992 1.720 -16.985 1.00 0.00 C ATOM 316 NH1 ARG A 20 4.744 2.647 -16.355 1.00 0.00 N ATOM 317 NH2 ARG A 20 4.050 1.590 -18.297 1.00 0.00 N ATOM 0 H ARG A 20 0.308 2.600 -13.520 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.579 0.094 -13.731 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.920 1.296 -12.609 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.666 -0.407 -12.280 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.167 -0.983 -14.420 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.023 0.175 -15.070 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.830 1.986 -14.491 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.938 0.638 -14.331 1.00 0.00 H new ATOM 0 HE ARG A 20 2.618 0.227 -16.799 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.693 2.742 -15.341 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.363 3.253 -16.893 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.478 0.888 -18.766 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.667 2.192 -18.842 1.00 0.00 H new ATOM 330 N LYS A 21 -1.798 -0.544 -11.658 1.00 0.00 N ATOM 331 CA LYS A 21 -2.433 -1.087 -10.470 1.00 0.00 C ATOM 332 C LYS A 21 -1.368 -1.713 -9.568 1.00 0.00 C ATOM 333 O LYS A 21 -0.296 -2.092 -10.038 1.00 0.00 O ATOM 334 CB LYS A 21 -3.556 -2.052 -10.856 1.00 0.00 C ATOM 335 CG LYS A 21 -2.991 -3.410 -11.277 1.00 0.00 C ATOM 336 CD LYS A 21 -3.741 -3.964 -12.490 1.00 0.00 C ATOM 337 CE LYS A 21 -3.396 -5.436 -12.723 1.00 0.00 C ATOM 338 NZ LYS A 21 -4.561 -6.161 -13.278 1.00 0.00 N ATOM 0 H LYS A 21 -2.297 -0.725 -12.529 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.910 -0.292 -9.897 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.235 -2.182 -10.013 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.140 -1.628 -11.673 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.932 -3.309 -11.515 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.066 -4.112 -10.447 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.815 -3.858 -12.337 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.486 -3.383 -13.376 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.552 -5.514 -13.408 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.088 -5.896 -11.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.309 -7.159 -13.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.356 -6.103 -12.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.837 -5.732 -14.184 1.00 0.00 H new ATOM 351 N THR A 22 -1.699 -1.803 -8.288 1.00 0.00 N ATOM 352 CA THR A 22 -0.784 -2.376 -7.316 1.00 0.00 C ATOM 353 C THR A 22 -1.560 -2.976 -6.142 1.00 0.00 C ATOM 354 O THR A 22 -2.653 -2.516 -5.817 1.00 0.00 O ATOM 355 CB THR A 22 0.205 -1.286 -6.898 1.00 0.00 C ATOM 356 OG1 THR A 22 1.033 -1.110 -8.044 1.00 0.00 O ATOM 357 CG2 THR A 22 1.171 -1.759 -5.809 1.00 0.00 C ATOM 0 H THR A 22 -2.589 -1.488 -7.902 1.00 0.00 H new ATOM 0 HA THR A 22 -0.217 -3.202 -7.745 1.00 0.00 H new ATOM 0 HB THR A 22 -0.344 -0.414 -6.543 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.780 -1.759 -8.733 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.851 -0.948 -5.549 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.606 -2.056 -4.926 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.745 -2.610 -6.176 1.00 0.00 H new ATOM 365 N ILE A 23 -0.964 -3.994 -5.538 1.00 0.00 N ATOM 366 CA ILE A 23 -1.585 -4.661 -4.407 1.00 0.00 C ATOM 367 C ILE A 23 -1.014 -4.092 -3.107 1.00 0.00 C ATOM 368 O ILE A 23 0.110 -3.591 -3.086 1.00 0.00 O ATOM 369 CB ILE A 23 -1.436 -6.179 -4.532 1.00 0.00 C ATOM 370 CG1 ILE A 23 -0.759 -6.556 -5.852 1.00 0.00 C ATOM 371 CG2 ILE A 23 -2.785 -6.879 -4.359 1.00 0.00 C ATOM 372 CD1 ILE A 23 0.764 -6.479 -5.729 1.00 0.00 C ATOM 0 H ILE A 23 -0.057 -4.373 -5.811 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.658 -4.469 -4.394 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.788 -6.526 -3.727 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.053 -7.565 -6.141 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.098 -5.887 -6.643 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.650 -7.957 -4.452 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.191 -6.648 -3.374 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.476 -6.532 -5.127 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.220 -6.752 -6.681 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.057 -5.463 -5.464 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.102 -7.167 -4.954 1.00 0.00 H new ATOM 384 N THR A 24 -1.813 -4.187 -2.055 1.00 0.00 N ATOM 385 CA THR A 24 -1.401 -3.688 -0.754 1.00 0.00 C ATOM 386 C THR A 24 -1.500 -4.794 0.298 1.00 0.00 C ATOM 387 O THR A 24 -1.994 -5.884 0.013 1.00 0.00 O ATOM 388 CB THR A 24 -2.253 -2.460 -0.427 1.00 0.00 C ATOM 389 OG1 THR A 24 -3.529 -3.002 -0.095 1.00 0.00 O ATOM 390 CG2 THR A 24 -2.526 -1.592 -1.657 1.00 0.00 C ATOM 0 H THR A 24 -2.744 -4.602 -2.077 1.00 0.00 H new ATOM 0 HA THR A 24 -0.355 -3.383 -0.761 1.00 0.00 H new ATOM 0 HB THR A 24 -1.752 -1.863 0.335 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.845 -3.568 -0.830 1.00 0.00 H new ATOM 0 HG21 THR A 24 -3.134 -0.734 -1.369 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.581 -1.243 -2.073 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.058 -2.179 -2.406 1.00 0.00 H new ATOM 398 N ILE A 25 -1.023 -4.476 1.492 1.00 0.00 N ATOM 399 CA ILE A 25 -1.051 -5.429 2.588 1.00 0.00 C ATOM 400 C ILE A 25 -1.594 -4.742 3.842 1.00 0.00 C ATOM 401 O ILE A 25 -1.197 -3.622 4.162 1.00 0.00 O ATOM 402 CB ILE A 25 0.327 -6.064 2.782 1.00 0.00 C ATOM 403 CG1 ILE A 25 0.899 -6.551 1.449 1.00 0.00 C ATOM 404 CG2 ILE A 25 0.274 -7.182 3.825 1.00 0.00 C ATOM 405 CD1 ILE A 25 1.779 -5.478 0.805 1.00 0.00 C ATOM 0 H ILE A 25 -0.615 -3.571 1.725 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.726 -6.253 2.358 1.00 0.00 H new ATOM 0 HB ILE A 25 1.004 -5.300 3.163 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.483 -7.457 1.609 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.084 -6.812 0.773 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.267 -7.616 3.944 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.060 -6.774 4.779 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.423 -7.953 3.497 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.173 -5.850 -0.141 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.186 -4.582 0.624 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.606 -5.237 1.473 1.00 0.00 H new ATOM 417 N ARG A 26 -2.493 -5.441 4.520 1.00 0.00 N ATOM 418 CA ARG A 26 -3.094 -4.911 5.732 1.00 0.00 C ATOM 419 C ARG A 26 -3.155 -5.995 6.811 1.00 0.00 C ATOM 420 O ARG A 26 -2.885 -7.163 6.538 1.00 0.00 O ATOM 421 CB ARG A 26 -4.506 -4.388 5.464 1.00 0.00 C ATOM 422 CG ARG A 26 -4.832 -4.431 3.969 1.00 0.00 C ATOM 423 CD ARG A 26 -4.083 -3.334 3.212 1.00 0.00 C ATOM 424 NE ARG A 26 -3.410 -2.427 4.169 1.00 0.00 N ATOM 425 CZ ARG A 26 -3.995 -1.345 4.725 1.00 0.00 C ATOM 426 NH1 ARG A 26 -5.272 -1.025 4.423 1.00 0.00 N ATOM 427 NH2 ARG A 26 -3.301 -0.604 5.569 1.00 0.00 N ATOM 0 H ARG A 26 -2.819 -6.370 4.253 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.473 -4.084 6.076 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.230 -4.987 6.015 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -4.594 -3.365 5.830 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.563 -5.406 3.563 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.905 -4.310 3.824 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.348 -3.780 2.542 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.779 -2.769 2.591 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.444 -2.632 4.424 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.802 -1.603 3.770 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.707 -0.206 4.848 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.337 -0.852 5.792 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -3.729 0.217 5.998 1.00 0.00 H new ATOM 440 N ASP A 27 -3.513 -5.568 8.013 1.00 0.00 N ATOM 441 CA ASP A 27 -3.613 -6.487 9.134 1.00 0.00 C ATOM 442 C ASP A 27 -5.075 -6.900 9.319 1.00 0.00 C ATOM 443 O ASP A 27 -5.963 -6.051 9.364 1.00 0.00 O ATOM 444 CB ASP A 27 -3.140 -5.828 10.431 1.00 0.00 C ATOM 445 CG ASP A 27 -3.247 -6.706 11.679 1.00 0.00 C ATOM 446 OD1 ASP A 27 -4.215 -7.462 11.847 1.00 0.00 O ATOM 447 OD2 ASP A 27 -2.269 -6.591 12.512 1.00 0.00 O ATOM 0 H ASP A 27 -3.737 -4.598 8.235 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.984 -7.351 8.919 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.101 -5.523 10.308 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.722 -4.920 10.593 1.00 0.00 H new ATOM 453 N GLU A 28 -5.279 -8.206 9.423 1.00 0.00 N ATOM 454 CA GLU A 28 -6.617 -8.742 9.602 1.00 0.00 C ATOM 455 C GLU A 28 -7.357 -7.967 10.695 1.00 0.00 C ATOM 456 O GLU A 28 -8.503 -7.564 10.507 1.00 0.00 O ATOM 457 CB GLU A 28 -6.570 -10.236 9.926 1.00 0.00 C ATOM 458 CG GLU A 28 -7.879 -10.700 10.567 1.00 0.00 C ATOM 459 CD GLU A 28 -9.053 -10.536 9.599 1.00 0.00 C ATOM 460 OE1 GLU A 28 -9.483 -9.404 9.333 1.00 0.00 O ATOM 461 OE2 GLU A 28 -9.518 -11.637 9.115 1.00 0.00 O ATOM 0 H GLU A 28 -4.540 -8.908 9.387 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.163 -8.624 8.666 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.386 -10.804 9.014 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.739 -10.439 10.601 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.792 -11.745 10.865 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.068 -10.125 11.474 1.00 0.00 H new ATOM 469 N SER A 29 -6.671 -7.784 11.813 1.00 0.00 N ATOM 470 CA SER A 29 -7.248 -7.065 12.936 1.00 0.00 C ATOM 471 C SER A 29 -7.688 -5.668 12.493 1.00 0.00 C ATOM 472 O SER A 29 -8.526 -5.042 13.141 1.00 0.00 O ATOM 473 CB SER A 29 -6.256 -6.966 14.097 1.00 0.00 C ATOM 474 OG SER A 29 -5.378 -5.853 13.955 1.00 0.00 O ATOM 0 H SER A 29 -5.721 -8.121 11.966 1.00 0.00 H new ATOM 0 HA SER A 29 -8.119 -7.620 13.285 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.804 -6.878 15.035 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.671 -7.884 14.154 1.00 0.00 H new ATOM 0 HG SER A 29 -4.761 -5.823 14.716 1.00 0.00 H new ATOM 480 N GLU A 30 -7.102 -5.219 11.393 1.00 0.00 N ATOM 481 CA GLU A 30 -7.422 -3.908 10.856 1.00 0.00 C ATOM 482 C GLU A 30 -7.754 -4.011 9.365 1.00 0.00 C ATOM 483 O GLU A 30 -7.563 -3.055 8.616 1.00 0.00 O ATOM 484 CB GLU A 30 -6.277 -2.922 11.095 1.00 0.00 C ATOM 485 CG GLU A 30 -6.346 -2.334 12.506 1.00 0.00 C ATOM 486 CD GLU A 30 -6.216 -0.809 12.471 1.00 0.00 C ATOM 487 OE1 GLU A 30 -5.757 -0.250 11.464 1.00 0.00 O ATOM 488 OE2 GLU A 30 -6.612 -0.204 13.538 1.00 0.00 O ATOM 0 H GLU A 30 -6.407 -5.740 10.859 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.300 -3.528 11.379 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.322 -3.427 10.954 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.324 -2.119 10.360 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.291 -2.612 12.974 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.550 -2.757 13.119 1.00 0.00 H new ATOM 496 N SER A 31 -8.244 -5.180 8.981 1.00 0.00 N ATOM 497 CA SER A 31 -8.604 -5.421 7.594 1.00 0.00 C ATOM 498 C SER A 31 -10.028 -5.975 7.511 1.00 0.00 C ATOM 499 O SER A 31 -10.240 -7.176 7.671 1.00 0.00 O ATOM 500 CB SER A 31 -7.620 -6.385 6.928 1.00 0.00 C ATOM 501 OG SER A 31 -7.660 -6.292 5.507 1.00 0.00 O ATOM 0 H SER A 31 -8.400 -5.971 9.606 1.00 0.00 H new ATOM 0 HA SER A 31 -8.558 -4.472 7.060 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.610 -6.170 7.277 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.852 -7.406 7.231 1.00 0.00 H new ATOM 0 HG SER A 31 -7.795 -7.184 5.124 1.00 0.00 H new ATOM 507 N HIS A 32 -10.966 -5.074 7.262 1.00 0.00 N ATOM 508 CA HIS A 32 -12.364 -5.458 7.156 1.00 0.00 C ATOM 509 C HIS A 32 -13.079 -4.526 6.175 1.00 0.00 C ATOM 510 O HIS A 32 -13.214 -3.332 6.434 1.00 0.00 O ATOM 511 CB HIS A 32 -13.025 -5.487 8.535 1.00 0.00 C ATOM 512 CG HIS A 32 -12.722 -4.278 9.388 1.00 0.00 C ATOM 513 ND1 HIS A 32 -13.624 -3.245 9.572 1.00 0.00 N ATOM 514 CD2 HIS A 32 -11.608 -3.949 10.104 1.00 0.00 C ATOM 515 CE1 HIS A 32 -13.068 -2.340 10.364 1.00 0.00 C ATOM 516 NE2 HIS A 32 -11.819 -2.778 10.692 1.00 0.00 N ATOM 0 H HIS A 32 -10.786 -4.079 7.130 1.00 0.00 H new ATOM 0 HA HIS A 32 -12.438 -6.471 6.760 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -14.105 -5.567 8.407 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -12.699 -6.383 9.064 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -10.708 -4.541 10.179 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -13.524 -1.418 10.692 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -11.156 -2.286 11.291 1.00 0.00 H new ATOM 524 N PHE A 33 -13.518 -5.109 5.069 1.00 0.00 N ATOM 525 CA PHE A 33 -14.216 -4.346 4.048 1.00 0.00 C ATOM 526 C PHE A 33 -14.659 -5.249 2.895 1.00 0.00 C ATOM 527 O PHE A 33 -14.817 -6.456 3.073 1.00 0.00 O ATOM 528 CB PHE A 33 -13.230 -3.305 3.515 1.00 0.00 C ATOM 529 CG PHE A 33 -13.874 -1.962 3.161 1.00 0.00 C ATOM 530 CD1 PHE A 33 -14.826 -1.430 3.973 1.00 0.00 C ATOM 531 CD2 PHE A 33 -13.493 -1.302 2.035 1.00 0.00 C ATOM 532 CE1 PHE A 33 -15.423 -0.184 3.644 1.00 0.00 C ATOM 533 CE2 PHE A 33 -14.091 -0.057 1.706 1.00 0.00 C ATOM 534 CZ PHE A 33 -15.043 0.476 2.518 1.00 0.00 C ATOM 0 H PHE A 33 -13.404 -6.100 4.858 1.00 0.00 H new ATOM 0 HA PHE A 33 -15.106 -3.883 4.474 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -12.454 -3.139 4.262 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -12.738 -3.706 2.628 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -15.128 -1.955 4.867 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -12.736 -1.725 1.391 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -16.179 0.239 4.289 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -13.790 0.467 0.811 1.00 0.00 H new ATOM 0 HZ PHE A 33 -15.497 1.424 2.268 1.00 0.00 H new ATOM 544 N LYS A 34 -14.845 -4.630 1.739 1.00 0.00 N ATOM 545 CA LYS A 34 -15.265 -5.363 0.557 1.00 0.00 C ATOM 546 C LYS A 34 -14.528 -4.816 -0.667 1.00 0.00 C ATOM 547 O LYS A 34 -13.940 -3.737 -0.610 1.00 0.00 O ATOM 548 CB LYS A 34 -16.789 -5.333 0.421 1.00 0.00 C ATOM 549 CG LYS A 34 -17.455 -6.151 1.530 1.00 0.00 C ATOM 550 CD LYS A 34 -18.127 -5.237 2.557 1.00 0.00 C ATOM 551 CE LYS A 34 -18.288 -5.949 3.902 1.00 0.00 C ATOM 552 NZ LYS A 34 -19.576 -5.581 4.531 1.00 0.00 N ATOM 0 H LYS A 34 -14.713 -3.629 1.595 1.00 0.00 H new ATOM 0 HA LYS A 34 -14.996 -6.416 0.647 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -17.141 -4.302 0.463 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -17.079 -5.729 -0.552 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -18.196 -6.823 1.096 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -16.710 -6.774 2.025 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -17.532 -4.333 2.689 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -19.104 -4.925 2.187 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -18.242 -7.028 3.757 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.464 -5.681 4.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -19.670 -6.072 5.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -19.605 -4.553 4.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -20.359 -5.858 3.906 1.00 0.00 H new ATOM 565 N THR A 35 -14.584 -5.584 -1.745 1.00 0.00 N ATOM 566 CA THR A 35 -13.929 -5.190 -2.980 1.00 0.00 C ATOM 567 C THR A 35 -14.845 -4.279 -3.802 1.00 0.00 C ATOM 568 O THR A 35 -16.035 -4.166 -3.513 1.00 0.00 O ATOM 569 CB THR A 35 -13.513 -6.461 -3.722 1.00 0.00 C ATOM 570 OG1 THR A 35 -12.853 -7.242 -2.729 1.00 0.00 O ATOM 571 CG2 THR A 35 -12.430 -6.199 -4.770 1.00 0.00 C ATOM 0 H THR A 35 -15.073 -6.478 -1.788 1.00 0.00 H new ATOM 0 HA THR A 35 -13.032 -4.604 -2.782 1.00 0.00 H new ATOM 0 HB THR A 35 -14.386 -6.902 -4.204 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.551 -8.087 -3.124 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.171 -7.134 -5.267 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.801 -5.487 -5.507 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.545 -5.789 -4.284 1.00 0.00 H new ATOM 579 N GLY A 36 -14.254 -3.654 -4.810 1.00 0.00 N ATOM 580 CA GLY A 36 -15.001 -2.758 -5.676 1.00 0.00 C ATOM 581 C GLY A 36 -15.478 -1.524 -4.907 1.00 0.00 C ATOM 582 O GLY A 36 -16.329 -0.778 -5.389 1.00 0.00 O ATOM 0 H GLY A 36 -13.266 -3.751 -5.046 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -14.375 -2.450 -6.513 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -15.859 -3.283 -6.096 1.00 0.00 H new ATOM 586 N ASP A 37 -14.908 -1.347 -3.724 1.00 0.00 N ATOM 587 CA ASP A 37 -15.263 -0.216 -2.884 1.00 0.00 C ATOM 588 C ASP A 37 -14.192 0.868 -3.015 1.00 0.00 C ATOM 589 O ASP A 37 -13.303 0.769 -3.860 1.00 0.00 O ATOM 590 CB ASP A 37 -15.342 -0.627 -1.412 1.00 0.00 C ATOM 591 CG ASP A 37 -16.756 -0.884 -0.887 1.00 0.00 C ATOM 592 OD1 ASP A 37 -17.080 -1.995 -0.441 1.00 0.00 O ATOM 593 OD2 ASP A 37 -17.554 0.128 -0.951 1.00 0.00 O ATOM 0 H ASP A 37 -14.203 -1.968 -3.327 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.236 0.153 -3.209 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -14.748 -1.530 -1.270 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -14.883 0.155 -0.807 1.00 0.00 H new ATOM 599 N VAL A 38 -14.311 1.879 -2.167 1.00 0.00 N ATOM 600 CA VAL A 38 -13.364 2.981 -2.177 1.00 0.00 C ATOM 601 C VAL A 38 -12.342 2.780 -1.056 1.00 0.00 C ATOM 602 O VAL A 38 -12.658 2.196 -0.021 1.00 0.00 O ATOM 603 CB VAL A 38 -14.109 4.313 -2.075 1.00 0.00 C ATOM 604 CG1 VAL A 38 -13.369 5.287 -1.156 1.00 0.00 C ATOM 605 CG2 VAL A 38 -14.329 4.926 -3.460 1.00 0.00 C ATOM 0 H VAL A 38 -15.050 1.958 -1.468 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.814 3.003 -3.118 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.087 4.116 -1.636 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.920 6.226 -1.101 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -13.288 4.855 -0.158 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.371 5.475 -1.553 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -14.861 5.872 -3.359 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -13.365 5.101 -3.938 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -14.918 4.242 -4.071 1.00 0.00 H new ATOM 615 N LEU A 39 -11.138 3.275 -1.301 1.00 0.00 N ATOM 616 CA LEU A 39 -10.068 3.158 -0.325 1.00 0.00 C ATOM 617 C LEU A 39 -9.343 4.500 -0.205 1.00 0.00 C ATOM 618 O LEU A 39 -8.678 4.936 -1.143 1.00 0.00 O ATOM 619 CB LEU A 39 -9.145 1.990 -0.679 1.00 0.00 C ATOM 620 CG LEU A 39 -9.577 0.615 -0.167 1.00 0.00 C ATOM 621 CD1 LEU A 39 -8.970 -0.503 -1.018 1.00 0.00 C ATOM 622 CD2 LEU A 39 -9.241 0.452 1.317 1.00 0.00 C ATOM 0 H LEU A 39 -10.880 3.758 -2.161 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.475 2.926 0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.055 1.940 -1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.151 2.206 -0.286 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.660 0.540 -0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.293 -1.470 -0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.302 -0.395 -2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.882 -0.441 -0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.559 -0.534 1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.165 0.556 1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.759 1.218 1.894 1.00 0.00 H new ATOM 634 N ARG A 40 -9.496 5.117 0.957 1.00 0.00 N ATOM 635 CA ARG A 40 -8.865 6.401 1.212 1.00 0.00 C ATOM 636 C ARG A 40 -7.346 6.284 1.065 1.00 0.00 C ATOM 637 O ARG A 40 -6.733 5.379 1.629 1.00 0.00 O ATOM 638 CB ARG A 40 -9.197 6.909 2.616 1.00 0.00 C ATOM 639 CG ARG A 40 -9.765 8.329 2.566 1.00 0.00 C ATOM 640 CD ARG A 40 -10.831 8.531 3.645 1.00 0.00 C ATOM 641 NE ARG A 40 -11.133 9.973 3.793 1.00 0.00 N ATOM 642 CZ ARG A 40 -10.270 10.879 4.297 1.00 0.00 C ATOM 643 NH1 ARG A 40 -9.040 10.500 4.706 1.00 0.00 N ATOM 644 NH2 ARG A 40 -10.645 12.142 4.384 1.00 0.00 N ATOM 0 H ARG A 40 -10.048 4.752 1.733 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.251 7.111 0.481 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.919 6.241 3.087 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.299 6.894 3.234 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.961 9.051 2.705 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.197 8.517 1.583 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.737 7.986 3.379 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.481 8.125 4.594 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.051 10.302 3.495 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.758 9.522 4.635 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.393 11.191 5.086 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.576 12.420 4.072 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.004 12.839 4.763 1.00 0.00 H new ATOM 657 N VAL A 41 -6.784 7.211 0.305 1.00 0.00 N ATOM 658 CA VAL A 41 -5.349 7.224 0.077 1.00 0.00 C ATOM 659 C VAL A 41 -4.750 8.489 0.693 1.00 0.00 C ATOM 660 O VAL A 41 -5.288 9.582 0.524 1.00 0.00 O ATOM 661 CB VAL A 41 -5.056 7.091 -1.419 1.00 0.00 C ATOM 662 CG1 VAL A 41 -5.857 8.113 -2.228 1.00 0.00 C ATOM 663 CG2 VAL A 41 -3.557 7.225 -1.698 1.00 0.00 C ATOM 0 H VAL A 41 -7.297 7.959 -0.161 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.877 6.371 0.565 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.368 6.095 -1.734 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.630 7.997 -3.288 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.923 7.951 -2.065 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.590 9.120 -1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.376 7.127 -2.768 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.210 8.201 -1.359 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.016 6.443 -1.165 1.00 0.00 H new ATOM 673 N GLY A 42 -3.643 8.299 1.397 1.00 0.00 N ATOM 674 CA GLY A 42 -2.965 9.411 2.040 1.00 0.00 C ATOM 675 C GLY A 42 -1.470 9.125 2.198 1.00 0.00 C ATOM 676 O GLY A 42 -1.084 8.034 2.616 1.00 0.00 O ATOM 0 H GLY A 42 -3.199 7.391 1.536 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.105 10.317 1.450 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.409 9.596 3.018 1.00 0.00 H new ATOM 680 N ARG A 43 -0.669 10.123 1.854 1.00 0.00 N ATOM 681 CA ARG A 43 0.775 9.992 1.952 1.00 0.00 C ATOM 682 C ARG A 43 1.259 10.468 3.323 1.00 0.00 C ATOM 683 O ARG A 43 0.954 11.585 3.739 1.00 0.00 O ATOM 684 CB ARG A 43 1.477 10.802 0.861 1.00 0.00 C ATOM 685 CG ARG A 43 2.567 9.973 0.178 1.00 0.00 C ATOM 686 CD ARG A 43 3.529 10.871 -0.603 1.00 0.00 C ATOM 687 NE ARG A 43 3.320 10.693 -2.057 1.00 0.00 N ATOM 688 CZ ARG A 43 3.997 11.371 -3.008 1.00 0.00 C ATOM 689 NH1 ARG A 43 4.934 12.280 -2.665 1.00 0.00 N ATOM 690 NH2 ARG A 43 3.729 11.132 -4.278 1.00 0.00 N ATOM 0 H ARG A 43 -0.993 11.026 1.507 1.00 0.00 H new ATOM 0 HA ARG A 43 1.022 8.938 1.821 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.747 11.131 0.121 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.917 11.700 1.296 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.120 9.405 0.926 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.110 9.250 -0.497 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.369 11.914 -0.329 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.559 10.627 -0.343 1.00 0.00 H new ATOM 0 HE ARG A 43 2.620 10.015 -2.360 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.135 12.459 -1.681 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.441 12.788 -3.390 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.019 10.444 -4.529 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.232 11.636 -5.009 1.00 0.00 H new ATOM 703 N PHE A 44 2.005 9.597 3.987 1.00 0.00 N ATOM 704 CA PHE A 44 2.534 9.915 5.303 1.00 0.00 C ATOM 705 C PHE A 44 3.678 10.926 5.204 1.00 0.00 C ATOM 706 O PHE A 44 3.939 11.668 6.150 1.00 0.00 O ATOM 707 CB PHE A 44 3.072 8.611 5.895 1.00 0.00 C ATOM 708 CG PHE A 44 3.006 8.548 7.423 1.00 0.00 C ATOM 709 CD1 PHE A 44 1.813 8.344 8.044 1.00 0.00 C ATOM 710 CD2 PHE A 44 4.139 8.697 8.159 1.00 0.00 C ATOM 711 CE1 PHE A 44 1.752 8.285 9.461 1.00 0.00 C ATOM 712 CE2 PHE A 44 4.078 8.638 9.577 1.00 0.00 C ATOM 713 CZ PHE A 44 2.886 8.434 10.198 1.00 0.00 C ATOM 0 H PHE A 44 2.256 8.672 3.639 1.00 0.00 H new ATOM 0 HA PHE A 44 1.751 10.352 5.923 1.00 0.00 H new ATOM 0 HB2 PHE A 44 2.506 7.776 5.482 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.108 8.481 5.580 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.913 8.227 7.459 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.086 8.860 7.666 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.805 8.122 9.954 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.978 8.755 10.162 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.839 8.390 11.276 1.00 0.00 H new ATOM 723 N GLU A 45 4.329 10.924 4.050 1.00 0.00 N ATOM 724 CA GLU A 45 5.439 11.832 3.815 1.00 0.00 C ATOM 725 C GLU A 45 5.112 13.222 4.365 1.00 0.00 C ATOM 726 O GLU A 45 5.972 13.880 4.949 1.00 0.00 O ATOM 727 CB GLU A 45 5.787 11.899 2.327 1.00 0.00 C ATOM 728 CG GLU A 45 6.861 10.871 1.968 1.00 0.00 C ATOM 729 CD GLU A 45 8.027 11.531 1.230 1.00 0.00 C ATOM 730 OE1 GLU A 45 8.068 11.509 -0.009 1.00 0.00 O ATOM 731 OE2 GLU A 45 8.912 12.081 1.989 1.00 0.00 O ATOM 0 H GLU A 45 4.109 10.308 3.267 1.00 0.00 H new ATOM 0 HA GLU A 45 6.314 11.450 4.342 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.892 11.718 1.732 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.139 12.900 2.077 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.226 10.389 2.875 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.427 10.089 1.345 1.00 0.00 H new ATOM 739 N ASP A 46 3.868 13.628 4.160 1.00 0.00 N ATOM 740 CA ASP A 46 3.418 14.928 4.628 1.00 0.00 C ATOM 741 C ASP A 46 2.383 14.735 5.738 1.00 0.00 C ATOM 742 O ASP A 46 2.497 15.330 6.808 1.00 0.00 O ATOM 743 CB ASP A 46 2.757 15.721 3.498 1.00 0.00 C ATOM 744 CG ASP A 46 1.782 14.922 2.631 1.00 0.00 C ATOM 745 OD1 ASP A 46 2.057 13.773 2.254 1.00 0.00 O ATOM 746 OD2 ASP A 46 0.686 15.535 2.338 1.00 0.00 O ATOM 0 H ASP A 46 3.157 13.080 3.676 1.00 0.00 H new ATOM 0 HA ASP A 46 4.287 15.475 4.992 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.224 16.567 3.932 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.538 16.131 2.857 1.00 0.00 H new ATOM 752 N ASP A 47 1.396 13.900 5.445 1.00 0.00 N ATOM 753 CA ASP A 47 0.342 13.622 6.405 1.00 0.00 C ATOM 754 C ASP A 47 -0.826 12.941 5.690 1.00 0.00 C ATOM 755 O ASP A 47 -1.586 12.194 6.306 1.00 0.00 O ATOM 756 CB ASP A 47 -0.180 14.912 7.040 1.00 0.00 C ATOM 757 CG ASP A 47 -0.157 14.935 8.570 1.00 0.00 C ATOM 758 OD1 ASP A 47 0.109 13.913 9.220 1.00 0.00 O ATOM 759 OD2 ASP A 47 -0.431 16.078 9.102 1.00 0.00 O ATOM 0 H ASP A 47 1.305 13.407 4.557 1.00 0.00 H new ATOM 0 HA ASP A 47 0.755 12.980 7.182 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.414 15.748 6.670 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.204 15.076 6.704 1.00 0.00 H new ATOM 765 N GLY A 48 -0.934 13.222 4.400 1.00 0.00 N ATOM 766 CA GLY A 48 -1.997 12.646 3.594 1.00 0.00 C ATOM 767 C GLY A 48 -2.393 13.587 2.455 1.00 0.00 C ATOM 768 O GLY A 48 -2.538 14.791 2.661 1.00 0.00 O ATOM 0 H GLY A 48 -0.302 13.842 3.892 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.670 11.690 3.184 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.865 12.443 4.222 1.00 0.00 H new ATOM 772 N TYR A 49 -2.557 13.003 1.277 1.00 0.00 N ATOM 773 CA TYR A 49 -2.933 13.774 0.105 1.00 0.00 C ATOM 774 C TYR A 49 -4.448 13.983 0.049 1.00 0.00 C ATOM 775 O TYR A 49 -4.947 14.709 -0.810 1.00 0.00 O ATOM 776 CB TYR A 49 -2.500 12.943 -1.104 1.00 0.00 C ATOM 777 CG TYR A 49 -2.709 13.644 -2.448 1.00 0.00 C ATOM 778 CD1 TYR A 49 -3.000 14.992 -2.486 1.00 0.00 C ATOM 779 CD2 TYR A 49 -2.606 12.927 -3.623 1.00 0.00 C ATOM 780 CE1 TYR A 49 -3.197 15.652 -3.751 1.00 0.00 C ATOM 781 CE2 TYR A 49 -2.802 13.587 -4.888 1.00 0.00 C ATOM 782 CZ TYR A 49 -3.088 14.916 -4.889 1.00 0.00 C ATOM 783 OH TYR A 49 -3.273 15.539 -6.084 1.00 0.00 O ATOM 0 H TYR A 49 -2.436 12.004 1.109 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.463 14.757 0.126 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.445 12.689 -0.998 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.055 12.005 -1.105 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.080 15.553 -1.567 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.379 11.872 -3.594 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.426 16.707 -3.795 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.724 13.038 -5.815 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.164 14.891 -6.811 1.00 0.00 H new ATOM 793 N PHE A 50 -5.137 13.333 0.975 1.00 0.00 N ATOM 794 CA PHE A 50 -6.585 13.438 1.042 1.00 0.00 C ATOM 795 C PHE A 50 -7.225 13.054 -0.293 1.00 0.00 C ATOM 796 O PHE A 50 -8.020 13.814 -0.846 1.00 0.00 O ATOM 797 CB PHE A 50 -6.914 14.900 1.350 1.00 0.00 C ATOM 798 CG PHE A 50 -6.747 15.279 2.823 1.00 0.00 C ATOM 799 CD1 PHE A 50 -5.537 15.694 3.286 1.00 0.00 C ATOM 800 CD2 PHE A 50 -7.808 15.200 3.670 1.00 0.00 C ATOM 801 CE1 PHE A 50 -5.382 16.045 4.653 1.00 0.00 C ATOM 802 CE2 PHE A 50 -7.653 15.551 5.038 1.00 0.00 C ATOM 803 CZ PHE A 50 -6.443 15.966 5.500 1.00 0.00 C ATOM 0 H PHE A 50 -4.720 12.732 1.685 1.00 0.00 H new ATOM 0 HA PHE A 50 -6.972 12.764 1.807 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -6.272 15.541 0.746 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -7.942 15.102 1.048 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.694 15.756 2.614 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -8.769 14.870 3.303 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.421 16.375 5.020 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -8.496 15.488 5.711 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.325 16.233 6.540 1.00 0.00 H new ATOM 813 N CYS A 51 -6.855 11.876 -0.774 1.00 0.00 N ATOM 814 CA CYS A 51 -7.383 11.383 -2.034 1.00 0.00 C ATOM 815 C CYS A 51 -8.219 10.134 -1.748 1.00 0.00 C ATOM 816 O CYS A 51 -8.468 9.801 -0.591 1.00 0.00 O ATOM 817 CB CYS A 51 -6.268 11.104 -3.044 1.00 0.00 C ATOM 818 SG CYS A 51 -5.510 12.678 -3.591 1.00 0.00 S ATOM 0 H CYS A 51 -6.196 11.249 -0.313 1.00 0.00 H new ATOM 0 HA CYS A 51 -8.014 12.146 -2.490 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.510 10.463 -2.594 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -6.670 10.567 -3.903 1.00 0.00 H new ATOM 0 HG CYS A 51 -4.228 12.516 -3.732 1.00 0.00 H new ATOM 824 N THR A 52 -8.630 9.477 -2.823 1.00 0.00 N ATOM 825 CA THR A 52 -9.433 8.272 -2.703 1.00 0.00 C ATOM 826 C THR A 52 -9.192 7.349 -3.898 1.00 0.00 C ATOM 827 O THR A 52 -8.868 7.812 -4.990 1.00 0.00 O ATOM 828 CB THR A 52 -10.896 8.693 -2.545 1.00 0.00 C ATOM 829 OG1 THR A 52 -10.854 9.737 -1.576 1.00 0.00 O ATOM 830 CG2 THR A 52 -11.750 7.608 -1.887 1.00 0.00 C ATOM 0 H THR A 52 -8.422 9.757 -3.782 1.00 0.00 H new ATOM 0 HA THR A 52 -9.149 7.693 -1.824 1.00 0.00 H new ATOM 0 HB THR A 52 -11.311 8.938 -3.523 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.761 10.070 -1.414 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.778 7.958 -1.799 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.725 6.705 -2.497 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.356 7.386 -0.895 1.00 0.00 H new ATOM 838 N ILE A 53 -9.358 6.058 -3.650 1.00 0.00 N ATOM 839 CA ILE A 53 -9.163 5.064 -4.693 1.00 0.00 C ATOM 840 C ILE A 53 -10.260 4.003 -4.592 1.00 0.00 C ATOM 841 O ILE A 53 -11.041 4.000 -3.642 1.00 0.00 O ATOM 842 CB ILE A 53 -7.745 4.492 -4.628 1.00 0.00 C ATOM 843 CG1 ILE A 53 -7.642 3.404 -3.557 1.00 0.00 C ATOM 844 CG2 ILE A 53 -6.714 5.603 -4.419 1.00 0.00 C ATOM 845 CD1 ILE A 53 -7.960 2.027 -4.142 1.00 0.00 C ATOM 0 H ILE A 53 -9.625 5.677 -2.742 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.253 5.522 -5.678 1.00 0.00 H new ATOM 0 HB ILE A 53 -7.521 4.023 -5.586 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.638 3.400 -3.133 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.331 3.625 -2.742 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.715 5.169 -4.376 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.768 6.310 -5.247 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.924 6.123 -3.484 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.880 1.272 -3.360 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.973 2.027 -4.543 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.254 1.799 -4.940 1.00 0.00 H new ATOM 857 N GLU A 54 -10.284 3.126 -5.585 1.00 0.00 N ATOM 858 CA GLU A 54 -11.272 2.062 -5.621 1.00 0.00 C ATOM 859 C GLU A 54 -10.582 0.697 -5.647 1.00 0.00 C ATOM 860 O GLU A 54 -9.594 0.510 -6.356 1.00 0.00 O ATOM 861 CB GLU A 54 -12.211 2.225 -6.818 1.00 0.00 C ATOM 862 CG GLU A 54 -13.610 2.646 -6.365 1.00 0.00 C ATOM 863 CD GLU A 54 -14.603 2.590 -7.528 1.00 0.00 C ATOM 864 OE1 GLU A 54 -15.104 3.636 -7.967 1.00 0.00 O ATOM 865 OE2 GLU A 54 -14.849 1.406 -7.978 1.00 0.00 O ATOM 0 H GLU A 54 -9.634 3.131 -6.371 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.877 2.124 -4.716 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.807 2.971 -7.503 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.270 1.286 -7.368 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.948 1.992 -5.562 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.576 3.657 -5.960 1.00 0.00 H new ATOM 873 N VAL A 55 -11.128 -0.222 -4.864 1.00 0.00 N ATOM 874 CA VAL A 55 -10.577 -1.564 -4.789 1.00 0.00 C ATOM 875 C VAL A 55 -10.866 -2.304 -6.096 1.00 0.00 C ATOM 876 O VAL A 55 -11.806 -1.963 -6.813 1.00 0.00 O ATOM 877 CB VAL A 55 -11.129 -2.288 -3.558 1.00 0.00 C ATOM 878 CG1 VAL A 55 -10.083 -3.233 -2.963 1.00 0.00 C ATOM 879 CG2 VAL A 55 -11.624 -1.289 -2.511 1.00 0.00 C ATOM 0 H VAL A 55 -11.946 -0.063 -4.276 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.494 -1.526 -4.670 1.00 0.00 H new ATOM 0 HB VAL A 55 -11.981 -2.889 -3.876 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -10.501 -3.735 -2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.799 -3.977 -3.708 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.203 -2.662 -2.667 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -12.011 -1.829 -1.647 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.798 -0.650 -2.199 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.416 -0.675 -2.940 1.00 0.00 H new ATOM 889 N THR A 56 -10.040 -3.304 -6.369 1.00 0.00 N ATOM 890 CA THR A 56 -10.195 -4.094 -7.578 1.00 0.00 C ATOM 891 C THR A 56 -10.216 -5.586 -7.240 1.00 0.00 C ATOM 892 O THR A 56 -11.037 -6.334 -7.768 1.00 0.00 O ATOM 893 CB THR A 56 -9.073 -3.706 -8.543 1.00 0.00 C ATOM 894 OG1 THR A 56 -9.488 -4.250 -9.794 1.00 0.00 O ATOM 895 CG2 THR A 56 -7.761 -4.431 -8.239 1.00 0.00 C ATOM 0 H THR A 56 -9.261 -3.585 -5.773 1.00 0.00 H new ATOM 0 HA THR A 56 -11.148 -3.889 -8.065 1.00 0.00 H new ATOM 0 HB THR A 56 -8.911 -2.629 -8.497 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.818 -4.044 -10.479 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.999 -4.119 -8.953 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.434 -4.184 -7.229 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.913 -5.507 -8.318 1.00 0.00 H new ATOM 903 N ALA A 57 -9.303 -5.975 -6.362 1.00 0.00 N ATOM 904 CA ALA A 57 -9.207 -7.364 -5.947 1.00 0.00 C ATOM 905 C ALA A 57 -8.555 -7.435 -4.565 1.00 0.00 C ATOM 906 O ALA A 57 -8.037 -6.437 -4.067 1.00 0.00 O ATOM 907 CB ALA A 57 -8.430 -8.158 -7.000 1.00 0.00 C ATOM 0 H ALA A 57 -8.623 -5.352 -5.926 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.198 -7.810 -5.867 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.357 -9.200 -6.689 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.950 -8.100 -7.956 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.429 -7.740 -7.105 1.00 0.00 H new ATOM 913 N THR A 58 -8.603 -8.625 -3.984 1.00 0.00 N ATOM 914 CA THR A 58 -8.024 -8.840 -2.669 1.00 0.00 C ATOM 915 C THR A 58 -7.531 -10.282 -2.532 1.00 0.00 C ATOM 916 O THR A 58 -8.083 -11.191 -3.149 1.00 0.00 O ATOM 917 CB THR A 58 -9.072 -8.454 -1.622 1.00 0.00 C ATOM 918 OG1 THR A 58 -8.914 -7.045 -1.476 1.00 0.00 O ATOM 919 CG2 THR A 58 -8.747 -9.012 -0.235 1.00 0.00 C ATOM 0 H THR A 58 -9.034 -9.450 -4.400 1.00 0.00 H new ATOM 0 HA THR A 58 -7.145 -8.214 -2.517 1.00 0.00 H new ATOM 0 HB THR A 58 -10.051 -8.815 -1.938 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.510 -6.675 -2.288 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.521 -8.709 0.470 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.704 -10.100 -0.281 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.783 -8.625 0.096 1.00 0.00 H new ATOM 927 N SER A 59 -6.498 -10.445 -1.719 1.00 0.00 N ATOM 928 CA SER A 59 -5.924 -11.761 -1.493 1.00 0.00 C ATOM 929 C SER A 59 -5.192 -11.789 -0.150 1.00 0.00 C ATOM 930 O SER A 59 -4.985 -10.747 0.470 1.00 0.00 O ATOM 931 CB SER A 59 -4.971 -12.148 -2.626 1.00 0.00 C ATOM 932 OG SER A 59 -4.727 -11.060 -3.513 1.00 0.00 O ATOM 0 H SER A 59 -6.043 -9.688 -1.209 1.00 0.00 H new ATOM 0 HA SER A 59 -6.735 -12.489 -1.472 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.026 -12.491 -2.204 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.392 -12.984 -3.185 1.00 0.00 H new ATOM 0 HG SER A 59 -4.113 -11.347 -4.221 1.00 0.00 H new ATOM 938 N THR A 60 -4.819 -12.993 0.259 1.00 0.00 N ATOM 939 CA THR A 60 -4.114 -13.170 1.517 1.00 0.00 C ATOM 940 C THR A 60 -2.677 -13.631 1.263 1.00 0.00 C ATOM 941 O THR A 60 -2.449 -14.769 0.857 1.00 0.00 O ATOM 942 CB THR A 60 -4.921 -14.144 2.378 1.00 0.00 C ATOM 943 OG1 THR A 60 -5.633 -14.936 1.432 1.00 0.00 O ATOM 944 CG2 THR A 60 -6.019 -13.444 3.181 1.00 0.00 C ATOM 0 H THR A 60 -4.992 -13.855 -0.258 1.00 0.00 H new ATOM 0 HA THR A 60 -4.029 -12.228 2.059 1.00 0.00 H new ATOM 0 HB THR A 60 -4.250 -14.667 3.060 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.181 -15.596 1.905 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.561 -14.180 3.774 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.570 -12.704 3.843 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.709 -12.949 2.498 1.00 0.00 H new ATOM 952 N VAL A 61 -1.745 -12.722 1.512 1.00 0.00 N ATOM 953 CA VAL A 61 -0.337 -13.021 1.315 1.00 0.00 C ATOM 954 C VAL A 61 0.505 -12.077 2.176 1.00 0.00 C ATOM 955 O VAL A 61 -0.024 -11.151 2.788 1.00 0.00 O ATOM 956 CB VAL A 61 0.011 -12.945 -0.173 1.00 0.00 C ATOM 957 CG1 VAL A 61 0.863 -14.142 -0.598 1.00 0.00 C ATOM 958 CG2 VAL A 61 -1.254 -12.841 -1.027 1.00 0.00 C ATOM 0 H VAL A 61 -1.938 -11.779 1.848 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.114 -14.039 1.635 1.00 0.00 H new ATOM 0 HB VAL A 61 0.599 -12.041 -0.334 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.096 -14.064 -1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.789 -14.152 -0.023 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.312 -15.064 -0.415 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.979 -12.788 -2.080 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.880 -13.718 -0.859 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.806 -11.943 -0.751 1.00 0.00 H new ATOM 968 N THR A 62 1.803 -12.345 2.195 1.00 0.00 N ATOM 969 CA THR A 62 2.724 -11.531 2.970 1.00 0.00 C ATOM 970 C THR A 62 2.885 -10.151 2.328 1.00 0.00 C ATOM 971 O THR A 62 1.985 -9.673 1.640 1.00 0.00 O ATOM 972 CB THR A 62 4.040 -12.299 3.099 1.00 0.00 C ATOM 973 OG1 THR A 62 3.642 -13.666 3.141 1.00 0.00 O ATOM 974 CG2 THR A 62 4.723 -12.068 4.448 1.00 0.00 C ATOM 0 H THR A 62 2.238 -13.114 1.686 1.00 0.00 H new ATOM 0 HA THR A 62 2.340 -11.345 3.973 1.00 0.00 H new ATOM 0 HB THR A 62 4.714 -12.001 2.296 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.435 -14.235 3.222 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.653 -12.636 4.487 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.941 -11.007 4.569 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.063 -12.396 5.251 1.00 0.00 H new ATOM 982 N LEU A 63 4.039 -9.550 2.577 1.00 0.00 N ATOM 983 CA LEU A 63 4.331 -8.235 2.032 1.00 0.00 C ATOM 984 C LEU A 63 5.253 -8.382 0.820 1.00 0.00 C ATOM 985 O LEU A 63 4.827 -8.181 -0.316 1.00 0.00 O ATOM 986 CB LEU A 63 4.888 -7.315 3.121 1.00 0.00 C ATOM 987 CG LEU A 63 6.024 -7.892 3.969 1.00 0.00 C ATOM 988 CD1 LEU A 63 7.349 -7.193 3.658 1.00 0.00 C ATOM 989 CD2 LEU A 63 5.681 -7.833 5.459 1.00 0.00 C ATOM 0 H LEU A 63 4.783 -9.949 3.149 1.00 0.00 H new ATOM 0 HA LEU A 63 3.417 -7.757 1.680 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.243 -6.399 2.649 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.071 -7.035 3.786 1.00 0.00 H new ATOM 0 HG LEU A 63 6.145 -8.943 3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.140 -7.622 4.274 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.594 -7.330 2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.258 -6.128 3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.505 -8.249 6.039 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.517 -6.797 5.754 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.776 -8.411 5.647 1.00 0.00 H new ATOM 1001 N ASP A 64 6.499 -8.731 1.104 1.00 0.00 N ATOM 1002 CA ASP A 64 7.484 -8.908 0.051 1.00 0.00 C ATOM 1003 C ASP A 64 6.996 -9.980 -0.925 1.00 0.00 C ATOM 1004 O ASP A 64 7.593 -10.183 -1.981 1.00 0.00 O ATOM 1005 CB ASP A 64 8.827 -9.367 0.624 1.00 0.00 C ATOM 1006 CG ASP A 64 10.053 -8.654 0.050 1.00 0.00 C ATOM 1007 OD1 ASP A 64 11.077 -8.497 0.731 1.00 0.00 O ATOM 1008 OD2 ASP A 64 9.925 -8.245 -1.167 1.00 0.00 O ATOM 0 H ASP A 64 6.849 -8.896 2.048 1.00 0.00 H new ATOM 0 HA ASP A 64 7.614 -7.950 -0.452 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.813 -9.221 1.704 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.933 -10.438 0.449 1.00 0.00 H new ATOM 1014 N THR A 65 5.914 -10.640 -0.536 1.00 0.00 N ATOM 1015 CA THR A 65 5.338 -11.686 -1.363 1.00 0.00 C ATOM 1016 C THR A 65 4.670 -11.082 -2.600 1.00 0.00 C ATOM 1017 O THR A 65 4.255 -11.807 -3.503 1.00 0.00 O ATOM 1018 CB THR A 65 4.380 -12.503 -0.494 1.00 0.00 C ATOM 1019 OG1 THR A 65 3.820 -11.545 0.400 1.00 0.00 O ATOM 1020 CG2 THR A 65 5.114 -13.484 0.424 1.00 0.00 C ATOM 0 H THR A 65 5.422 -10.470 0.341 1.00 0.00 H new ATOM 0 HA THR A 65 6.108 -12.357 -1.743 1.00 0.00 H new ATOM 0 HB THR A 65 3.689 -13.052 -1.133 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.119 -11.039 -0.061 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.388 -14.038 1.019 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.697 -14.180 -0.179 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.781 -12.933 1.087 1.00 0.00 H new ATOM 1028 N LEU A 66 4.586 -9.759 -2.601 1.00 0.00 N ATOM 1029 CA LEU A 66 3.976 -9.049 -3.712 1.00 0.00 C ATOM 1030 C LEU A 66 4.223 -7.548 -3.550 1.00 0.00 C ATOM 1031 O LEU A 66 4.501 -6.852 -4.525 1.00 0.00 O ATOM 1032 CB LEU A 66 2.496 -9.419 -3.836 1.00 0.00 C ATOM 1033 CG LEU A 66 1.671 -9.325 -2.551 1.00 0.00 C ATOM 1034 CD1 LEU A 66 0.944 -7.981 -2.463 1.00 0.00 C ATOM 1035 CD2 LEU A 66 0.708 -10.507 -2.429 1.00 0.00 C ATOM 0 H LEU A 66 4.930 -9.161 -1.850 1.00 0.00 H new ATOM 0 HA LEU A 66 4.436 -9.348 -4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.041 -8.770 -4.584 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.427 -10.439 -4.214 1.00 0.00 H new ATOM 0 HG LEU A 66 2.354 -9.378 -1.703 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.365 -7.940 -1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.674 -7.171 -2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.275 -7.873 -3.316 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.134 -10.415 -1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.028 -10.512 -3.281 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.275 -11.438 -2.412 1.00 0.00 H new ATOM 1047 N THR A 67 4.112 -7.093 -2.310 1.00 0.00 N ATOM 1048 CA THR A 67 4.321 -5.687 -2.007 1.00 0.00 C ATOM 1049 C THR A 67 5.527 -5.149 -2.778 1.00 0.00 C ATOM 1050 O THR A 67 6.430 -5.905 -3.133 1.00 0.00 O ATOM 1051 CB THR A 67 4.456 -5.546 -0.490 1.00 0.00 C ATOM 1052 OG1 THR A 67 4.005 -4.220 -0.223 1.00 0.00 O ATOM 1053 CG2 THR A 67 5.916 -5.542 -0.031 1.00 0.00 C ATOM 0 H THR A 67 3.880 -7.673 -1.504 1.00 0.00 H new ATOM 0 HA THR A 67 3.474 -5.082 -2.330 1.00 0.00 H new ATOM 0 HB THR A 67 3.923 -6.361 -0.001 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.205 -3.988 0.708 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.956 -5.440 1.053 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.392 -6.477 -0.325 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.441 -4.706 -0.494 1.00 0.00 H new ATOM 1061 N GLU A 68 5.504 -3.845 -3.015 1.00 0.00 N ATOM 1062 CA GLU A 68 6.584 -3.197 -3.738 1.00 0.00 C ATOM 1063 C GLU A 68 7.938 -3.640 -3.179 1.00 0.00 C ATOM 1064 O GLU A 68 8.951 -3.580 -3.875 1.00 0.00 O ATOM 1065 CB GLU A 68 6.442 -1.674 -3.686 1.00 0.00 C ATOM 1066 CG GLU A 68 5.734 -1.147 -4.936 1.00 0.00 C ATOM 1067 CD GLU A 68 6.685 -0.307 -5.792 1.00 0.00 C ATOM 1068 OE1 GLU A 68 6.686 0.928 -5.688 1.00 0.00 O ATOM 1069 OE2 GLU A 68 7.444 -0.983 -6.587 1.00 0.00 O ATOM 0 H GLU A 68 4.754 -3.220 -2.719 1.00 0.00 H new ATOM 0 HA GLU A 68 6.528 -3.499 -4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.880 -1.388 -2.797 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.427 -1.216 -3.601 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.354 -1.983 -5.523 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.874 -0.545 -4.644 1.00 0.00 H new ATOM 1077 N LYS A 69 7.912 -4.076 -1.928 1.00 0.00 N ATOM 1078 CA LYS A 69 9.124 -4.530 -1.268 1.00 0.00 C ATOM 1079 C LYS A 69 9.869 -5.499 -2.189 1.00 0.00 C ATOM 1080 O LYS A 69 11.095 -5.585 -2.144 1.00 0.00 O ATOM 1081 CB LYS A 69 8.798 -5.116 0.107 1.00 0.00 C ATOM 1082 CG LYS A 69 10.073 -5.340 0.923 1.00 0.00 C ATOM 1083 CD LYS A 69 9.813 -6.288 2.096 1.00 0.00 C ATOM 1084 CE LYS A 69 11.127 -6.792 2.695 1.00 0.00 C ATOM 1085 NZ LYS A 69 10.955 -8.153 3.251 1.00 0.00 N ATOM 0 H LYS A 69 7.070 -4.124 -1.354 1.00 0.00 H new ATOM 0 HA LYS A 69 9.793 -3.690 -1.080 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.131 -4.442 0.645 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.268 -6.061 -0.013 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.851 -5.754 0.282 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.442 -4.385 1.297 1.00 0.00 H new ATOM 0 HD2 LYS A 69 9.233 -5.773 2.863 1.00 0.00 H new ATOM 0 HD3 LYS A 69 9.215 -7.134 1.759 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.903 -6.801 1.929 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.461 -6.112 3.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.715 -8.348 3.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.034 -8.219 3.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.995 -8.850 2.480 1.00 0.00 H new ATOM 1098 N HIS A 70 9.096 -6.204 -3.002 1.00 0.00 N ATOM 1099 CA HIS A 70 9.667 -7.164 -3.931 1.00 0.00 C ATOM 1100 C HIS A 70 10.298 -6.423 -5.112 1.00 0.00 C ATOM 1101 O HIS A 70 11.454 -6.665 -5.456 1.00 0.00 O ATOM 1102 CB HIS A 70 8.618 -8.189 -4.367 1.00 0.00 C ATOM 1103 CG HIS A 70 9.022 -9.009 -5.569 1.00 0.00 C ATOM 1104 ND1 HIS A 70 8.594 -8.718 -6.853 1.00 0.00 N ATOM 1105 CD2 HIS A 70 9.820 -10.110 -5.669 1.00 0.00 C ATOM 1106 CE1 HIS A 70 9.116 -9.612 -7.680 1.00 0.00 C ATOM 1107 NE2 HIS A 70 9.875 -10.474 -6.945 1.00 0.00 N ATOM 0 H HIS A 70 8.079 -6.130 -3.037 1.00 0.00 H new ATOM 0 HA HIS A 70 10.458 -7.728 -3.436 1.00 0.00 H new ATOM 0 HB2 HIS A 70 8.414 -8.861 -3.534 1.00 0.00 H new ATOM 0 HB3 HIS A 70 7.687 -7.668 -4.592 1.00 0.00 H new ATOM 0 HD2 HIS A 70 10.322 -10.603 -4.850 1.00 0.00 H new ATOM 0 HE1 HIS A 70 8.967 -9.651 -8.749 1.00 0.00 H new ATOM 0 HE2 HIS A 70 10.399 -11.268 -7.314 1.00 0.00 H new ATOM 1115 N ALA A 71 9.510 -5.534 -5.700 1.00 0.00 N ATOM 1116 CA ALA A 71 9.976 -4.756 -6.835 1.00 0.00 C ATOM 1117 C ALA A 71 11.266 -4.027 -6.452 1.00 0.00 C ATOM 1118 O ALA A 71 12.273 -4.130 -7.151 1.00 0.00 O ATOM 1119 CB ALA A 71 8.874 -3.794 -7.282 1.00 0.00 C ATOM 0 H ALA A 71 8.552 -5.336 -5.411 1.00 0.00 H new ATOM 0 HA ALA A 71 10.203 -5.407 -7.679 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.224 -3.210 -8.134 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.990 -4.362 -7.570 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.622 -3.123 -6.461 1.00 0.00 H new ATOM 1125 N GLU A 72 11.194 -3.306 -5.343 1.00 0.00 N ATOM 1126 CA GLU A 72 12.343 -2.560 -4.859 1.00 0.00 C ATOM 1127 C GLU A 72 13.474 -3.516 -4.477 1.00 0.00 C ATOM 1128 O GLU A 72 14.639 -3.256 -4.775 1.00 0.00 O ATOM 1129 CB GLU A 72 11.959 -1.666 -3.678 1.00 0.00 C ATOM 1130 CG GLU A 72 12.111 -0.187 -4.038 1.00 0.00 C ATOM 1131 CD GLU A 72 11.195 0.684 -3.175 1.00 0.00 C ATOM 1132 OE1 GLU A 72 9.975 0.711 -3.397 1.00 0.00 O ATOM 1133 OE2 GLU A 72 11.792 1.349 -2.245 1.00 0.00 O ATOM 0 H GLU A 72 10.357 -3.223 -4.765 1.00 0.00 H new ATOM 0 HA GLU A 72 12.696 -1.913 -5.662 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.929 -1.868 -3.384 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.588 -1.901 -2.819 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.148 0.120 -3.899 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.873 -0.039 -5.091 1.00 0.00 H new ATOM 1141 N GLN A 73 13.092 -4.604 -3.824 1.00 0.00 N ATOM 1142 CA GLN A 73 14.059 -5.600 -3.398 1.00 0.00 C ATOM 1143 C GLN A 73 14.993 -5.962 -4.555 1.00 0.00 C ATOM 1144 O GLN A 73 16.179 -6.214 -4.346 1.00 0.00 O ATOM 1145 CB GLN A 73 13.359 -6.845 -2.849 1.00 0.00 C ATOM 1146 CG GLN A 73 14.175 -8.106 -3.141 1.00 0.00 C ATOM 1147 CD GLN A 73 13.645 -9.299 -2.342 1.00 0.00 C ATOM 1148 OE1 GLN A 73 13.889 -9.442 -1.155 1.00 0.00 O ATOM 1149 NE2 GLN A 73 12.908 -10.144 -3.056 1.00 0.00 N ATOM 0 H GLN A 73 12.125 -4.817 -3.580 1.00 0.00 H new ATOM 0 HA GLN A 73 14.658 -5.175 -2.592 1.00 0.00 H new ATOM 0 HB2 GLN A 73 13.215 -6.741 -1.773 1.00 0.00 H new ATOM 0 HB3 GLN A 73 12.369 -6.937 -3.295 1.00 0.00 H new ATOM 0 HG2 GLN A 73 14.135 -8.331 -4.207 1.00 0.00 H new ATOM 0 HG3 GLN A 73 15.222 -7.932 -2.891 1.00 0.00 H new ATOM 0 HE21 GLN A 73 12.742 -9.965 -4.046 1.00 0.00 H new ATOM 0 HE22 GLN A 73 12.508 -10.971 -2.613 1.00 0.00 H new ATOM 1158 N GLU A 74 14.423 -5.976 -5.751 1.00 0.00 N ATOM 1159 CA GLU A 74 15.189 -6.302 -6.942 1.00 0.00 C ATOM 1160 C GLU A 74 15.648 -5.023 -7.645 1.00 0.00 C ATOM 1161 O GLU A 74 15.870 -5.021 -8.854 1.00 0.00 O ATOM 1162 CB GLU A 74 14.378 -7.188 -7.890 1.00 0.00 C ATOM 1163 CG GLU A 74 15.032 -8.562 -8.050 1.00 0.00 C ATOM 1164 CD GLU A 74 15.729 -8.682 -9.407 1.00 0.00 C ATOM 1165 OE1 GLU A 74 16.804 -8.098 -9.606 1.00 0.00 O ATOM 1166 OE2 GLU A 74 15.114 -9.415 -10.273 1.00 0.00 O ATOM 0 H GLU A 74 13.439 -5.767 -5.921 1.00 0.00 H new ATOM 0 HA GLU A 74 16.073 -6.864 -6.639 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.365 -7.306 -7.506 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.295 -6.705 -8.864 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.756 -8.720 -7.250 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.276 -9.342 -7.955 1.00 0.00 H new ATOM 1174 N ASN A 75 15.778 -3.966 -6.856 1.00 0.00 N ATOM 1175 CA ASN A 75 16.207 -2.684 -7.387 1.00 0.00 C ATOM 1176 C ASN A 75 17.019 -1.942 -6.324 1.00 0.00 C ATOM 1177 O ASN A 75 18.198 -1.656 -6.527 1.00 0.00 O ATOM 1178 CB ASN A 75 15.006 -1.812 -7.758 1.00 0.00 C ATOM 1179 CG ASN A 75 14.972 -1.536 -9.263 1.00 0.00 C ATOM 1180 OD1 ASN A 75 15.986 -1.531 -9.942 1.00 0.00 O ATOM 1181 ND2 ASN A 75 13.754 -1.307 -9.743 1.00 0.00 N ATOM 0 H ASN A 75 15.594 -3.972 -5.853 1.00 0.00 H new ATOM 0 HA ASN A 75 16.806 -2.872 -8.278 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.084 -2.309 -7.455 1.00 0.00 H new ATOM 0 HB3 ASN A 75 15.054 -0.869 -7.213 1.00 0.00 H new ATOM 0 HD21 ASN A 75 13.625 -1.112 -10.736 1.00 0.00 H new ATOM 0 HD22 ASN A 75 12.948 -1.326 -9.118 1.00 0.00 H new ATOM 1188 N MET A 76 16.357 -1.652 -5.214 1.00 0.00 N ATOM 1189 CA MET A 76 17.003 -0.950 -4.119 1.00 0.00 C ATOM 1190 C MET A 76 17.637 -1.934 -3.134 1.00 0.00 C ATOM 1191 O MET A 76 17.531 -3.147 -3.308 1.00 0.00 O ATOM 1192 CB MET A 76 15.972 -0.087 -3.387 1.00 0.00 C ATOM 1193 CG MET A 76 15.347 0.941 -4.332 1.00 0.00 C ATOM 1194 SD MET A 76 16.603 2.050 -4.944 1.00 0.00 S ATOM 1195 CE MET A 76 16.282 1.945 -6.697 1.00 0.00 C ATOM 0 H MET A 76 15.379 -1.891 -5.049 1.00 0.00 H new ATOM 0 HA MET A 76 17.791 -0.320 -4.531 1.00 0.00 H new ATOM 0 HB2 MET A 76 15.192 -0.723 -2.968 1.00 0.00 H new ATOM 0 HB3 MET A 76 16.449 0.425 -2.551 1.00 0.00 H new ATOM 0 HG2 MET A 76 14.861 0.433 -5.165 1.00 0.00 H new ATOM 0 HG3 MET A 76 14.575 1.506 -3.809 1.00 0.00 H new ATOM 0 HE1 MET A 76 16.898 2.674 -7.224 1.00 0.00 H new ATOM 0 HE2 MET A 76 16.522 0.943 -7.052 1.00 0.00 H new ATOM 0 HE3 MET A 76 15.229 2.154 -6.887 1.00 0.00 H new ATOM 1205 N THR A 77 18.282 -1.375 -2.121 1.00 0.00 N ATOM 1206 CA THR A 77 18.934 -2.188 -1.108 1.00 0.00 C ATOM 1207 C THR A 77 17.936 -2.581 -0.017 1.00 0.00 C ATOM 1208 O THR A 77 16.765 -2.212 -0.080 1.00 0.00 O ATOM 1209 CB THR A 77 20.138 -1.407 -0.578 1.00 0.00 C ATOM 1210 OG1 THR A 77 20.700 -2.266 0.411 1.00 0.00 O ATOM 1211 CG2 THR A 77 19.728 -0.157 0.203 1.00 0.00 C ATOM 0 H THR A 77 18.367 -0.368 -1.980 1.00 0.00 H new ATOM 0 HA THR A 77 19.297 -3.127 -1.527 1.00 0.00 H new ATOM 0 HB THR A 77 20.780 -1.120 -1.411 1.00 0.00 H new ATOM 0 HG1 THR A 77 21.488 -1.838 0.806 1.00 0.00 H new ATOM 0 HG21 THR A 77 20.620 0.360 0.557 1.00 0.00 H new ATOM 0 HG22 THR A 77 19.157 0.507 -0.446 1.00 0.00 H new ATOM 0 HG23 THR A 77 19.114 -0.446 1.056 1.00 0.00 H new ATOM 1219 N LEU A 78 18.437 -3.326 0.958 1.00 0.00 N ATOM 1220 CA LEU A 78 17.604 -3.773 2.061 1.00 0.00 C ATOM 1221 C LEU A 78 17.276 -2.582 2.962 1.00 0.00 C ATOM 1222 O LEU A 78 16.162 -2.473 3.472 1.00 0.00 O ATOM 1223 CB LEU A 78 18.272 -4.936 2.798 1.00 0.00 C ATOM 1224 CG LEU A 78 17.948 -6.337 2.273 1.00 0.00 C ATOM 1225 CD1 LEU A 78 16.565 -6.793 2.743 1.00 0.00 C ATOM 1226 CD2 LEU A 78 18.086 -6.397 0.751 1.00 0.00 C ATOM 0 H LEU A 78 19.409 -3.631 1.007 1.00 0.00 H new ATOM 0 HA LEU A 78 16.656 -4.162 1.690 1.00 0.00 H new ATOM 0 HB2 LEU A 78 19.352 -4.795 2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 78 17.985 -4.888 3.848 1.00 0.00 H new ATOM 0 HG LEU A 78 18.675 -7.035 2.689 1.00 0.00 H new ATOM 0 HD11 LEU A 78 16.360 -7.791 2.356 1.00 0.00 H new ATOM 0 HD12 LEU A 78 16.540 -6.814 3.833 1.00 0.00 H new ATOM 0 HD13 LEU A 78 15.809 -6.099 2.376 1.00 0.00 H new ATOM 0 HD21 LEU A 78 17.850 -7.403 0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 78 17.398 -5.685 0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 78 19.108 -6.146 0.468 1.00 0.00 H new ATOM 1238 N THR A 79 18.266 -1.718 3.131 1.00 0.00 N ATOM 1239 CA THR A 79 18.096 -0.538 3.962 1.00 0.00 C ATOM 1240 C THR A 79 16.913 0.296 3.468 1.00 0.00 C ATOM 1241 O THR A 79 15.994 0.590 4.232 1.00 0.00 O ATOM 1242 CB THR A 79 19.419 0.230 3.970 1.00 0.00 C ATOM 1243 OG1 THR A 79 20.073 -0.218 5.155 1.00 0.00 O ATOM 1244 CG2 THR A 79 19.225 1.730 4.197 1.00 0.00 C ATOM 0 H THR A 79 19.189 -1.811 2.707 1.00 0.00 H new ATOM 0 HA THR A 79 17.855 -0.810 4.990 1.00 0.00 H new ATOM 0 HB THR A 79 19.936 0.070 3.024 1.00 0.00 H new ATOM 0 HG1 THR A 79 20.941 0.229 5.238 1.00 0.00 H new ATOM 0 HG21 THR A 79 20.195 2.227 4.194 1.00 0.00 H new ATOM 0 HG22 THR A 79 18.604 2.141 3.401 1.00 0.00 H new ATOM 0 HG23 THR A 79 18.738 1.892 5.158 1.00 0.00 H new ATOM 1252 N GLU A 80 16.973 0.655 2.194 1.00 0.00 N ATOM 1253 CA GLU A 80 15.918 1.449 1.589 1.00 0.00 C ATOM 1254 C GLU A 80 14.560 0.777 1.799 1.00 0.00 C ATOM 1255 O GLU A 80 13.595 1.429 2.194 1.00 0.00 O ATOM 1256 CB GLU A 80 16.191 1.681 0.102 1.00 0.00 C ATOM 1257 CG GLU A 80 16.449 3.162 -0.184 1.00 0.00 C ATOM 1258 CD GLU A 80 16.291 3.469 -1.675 1.00 0.00 C ATOM 1259 OE1 GLU A 80 15.219 3.222 -2.248 1.00 0.00 O ATOM 1260 OE2 GLU A 80 17.331 3.983 -2.239 1.00 0.00 O ATOM 0 H GLU A 80 17.737 0.410 1.564 1.00 0.00 H new ATOM 0 HA GLU A 80 15.898 2.423 2.077 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.053 1.091 -0.209 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.340 1.336 -0.486 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.755 3.774 0.392 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.455 3.429 0.141 1.00 0.00 H new ATOM 1268 N LEU A 81 14.529 -0.519 1.526 1.00 0.00 N ATOM 1269 CA LEU A 81 13.305 -1.288 1.680 1.00 0.00 C ATOM 1270 C LEU A 81 12.822 -1.183 3.128 1.00 0.00 C ATOM 1271 O LEU A 81 11.619 -1.195 3.386 1.00 0.00 O ATOM 1272 CB LEU A 81 13.513 -2.727 1.203 1.00 0.00 C ATOM 1273 CG LEU A 81 13.182 -3.000 -0.266 1.00 0.00 C ATOM 1274 CD1 LEU A 81 13.280 -4.494 -0.580 1.00 0.00 C ATOM 1275 CD2 LEU A 81 11.814 -2.425 -0.637 1.00 0.00 C ATOM 0 H LEU A 81 15.332 -1.056 1.199 1.00 0.00 H new ATOM 0 HA LEU A 81 12.515 -0.879 1.050 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.554 -3.000 1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 81 12.903 -3.386 1.821 1.00 0.00 H new ATOM 0 HG LEU A 81 13.922 -2.491 -0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 81 13.040 -4.662 -1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.293 -4.842 -0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.577 -5.044 0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.604 -2.633 -1.686 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.046 -2.884 -0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.816 -1.347 -0.474 1.00 0.00 H new ATOM 1287 N LYS A 82 13.783 -1.083 4.033 1.00 0.00 N ATOM 1288 CA LYS A 82 13.470 -0.977 5.448 1.00 0.00 C ATOM 1289 C LYS A 82 12.865 0.400 5.730 1.00 0.00 C ATOM 1290 O LYS A 82 11.983 0.532 6.577 1.00 0.00 O ATOM 1291 CB LYS A 82 14.706 -1.290 6.295 1.00 0.00 C ATOM 1292 CG LYS A 82 14.343 -2.182 7.484 1.00 0.00 C ATOM 1293 CD LYS A 82 14.997 -3.560 7.355 1.00 0.00 C ATOM 1294 CE LYS A 82 14.657 -4.442 8.558 1.00 0.00 C ATOM 1295 NZ LYS A 82 14.300 -5.808 8.114 1.00 0.00 N ATOM 0 H LYS A 82 14.779 -1.073 3.815 1.00 0.00 H new ATOM 0 HA LYS A 82 12.722 -1.719 5.729 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.457 -1.785 5.680 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.150 -0.362 6.654 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.665 -1.708 8.411 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.260 -2.293 7.543 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.659 -4.043 6.438 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.078 -3.448 7.276 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.508 -4.485 9.237 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.827 -4.005 9.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.072 -6.394 8.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.474 -5.763 7.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.103 -6.228 7.603 1.00 0.00 H new ATOM 1308 N LYS A 83 13.362 1.390 5.004 1.00 0.00 N ATOM 1309 CA LYS A 83 12.881 2.751 5.165 1.00 0.00 C ATOM 1310 C LYS A 83 11.420 2.827 4.719 1.00 0.00 C ATOM 1311 O LYS A 83 10.559 3.281 5.472 1.00 0.00 O ATOM 1312 CB LYS A 83 13.799 3.734 4.435 1.00 0.00 C ATOM 1313 CG LYS A 83 14.469 4.694 5.421 1.00 0.00 C ATOM 1314 CD LYS A 83 15.838 4.167 5.855 1.00 0.00 C ATOM 1315 CE LYS A 83 16.155 4.583 7.293 1.00 0.00 C ATOM 1316 NZ LYS A 83 16.497 3.398 8.112 1.00 0.00 N ATOM 0 H LYS A 83 14.093 1.277 4.302 1.00 0.00 H new ATOM 0 HA LYS A 83 12.910 3.043 6.215 1.00 0.00 H new ATOM 0 HB2 LYS A 83 14.561 3.184 3.883 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.223 4.301 3.704 1.00 0.00 H new ATOM 0 HG2 LYS A 83 14.583 5.675 4.959 1.00 0.00 H new ATOM 0 HG3 LYS A 83 13.832 4.826 6.296 1.00 0.00 H new ATOM 0 HD2 LYS A 83 15.855 3.080 5.775 1.00 0.00 H new ATOM 0 HD3 LYS A 83 16.608 4.548 5.184 1.00 0.00 H new ATOM 0 HE2 LYS A 83 16.986 5.289 7.299 1.00 0.00 H new ATOM 0 HE3 LYS A 83 15.297 5.097 7.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 16.709 3.698 9.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 15.693 2.738 8.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 17.329 2.924 7.706 1.00 0.00 H new ATOM 1329 N VAL A 84 11.184 2.376 3.496 1.00 0.00 N ATOM 1330 CA VAL A 84 9.841 2.388 2.940 1.00 0.00 C ATOM 1331 C VAL A 84 8.938 1.483 3.781 1.00 0.00 C ATOM 1332 O VAL A 84 7.826 1.869 4.137 1.00 0.00 O ATOM 1333 CB VAL A 84 9.882 1.985 1.464 1.00 0.00 C ATOM 1334 CG1 VAL A 84 10.957 2.772 0.711 1.00 0.00 C ATOM 1335 CG2 VAL A 84 10.098 0.478 1.312 1.00 0.00 C ATOM 0 H VAL A 84 11.900 2.000 2.874 1.00 0.00 H new ATOM 0 HA VAL A 84 9.421 3.393 2.978 1.00 0.00 H new ATOM 0 HB VAL A 84 8.916 2.230 1.023 1.00 0.00 H new ATOM 0 HG11 VAL A 84 10.965 2.467 -0.335 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.740 3.838 0.776 1.00 0.00 H new ATOM 0 HG13 VAL A 84 11.932 2.572 1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.123 0.219 0.254 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.043 0.197 1.777 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.282 -0.057 1.797 1.00 0.00 H new ATOM 1345 N ILE A 85 9.450 0.297 4.074 1.00 0.00 N ATOM 1346 CA ILE A 85 8.704 -0.665 4.866 1.00 0.00 C ATOM 1347 C ILE A 85 8.293 -0.019 6.191 1.00 0.00 C ATOM 1348 O ILE A 85 7.177 -0.225 6.666 1.00 0.00 O ATOM 1349 CB ILE A 85 9.506 -1.957 5.035 1.00 0.00 C ATOM 1350 CG1 ILE A 85 9.471 -2.795 3.756 1.00 0.00 C ATOM 1351 CG2 ILE A 85 9.021 -2.748 6.252 1.00 0.00 C ATOM 1352 CD1 ILE A 85 8.300 -3.780 3.777 1.00 0.00 C ATOM 0 H ILE A 85 10.373 -0.020 3.777 1.00 0.00 H new ATOM 0 HA ILE A 85 7.786 -0.951 4.352 1.00 0.00 H new ATOM 0 HB ILE A 85 10.547 -1.691 5.218 1.00 0.00 H new ATOM 0 HG12 ILE A 85 9.384 -2.139 2.890 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.408 -3.341 3.649 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.607 -3.662 6.349 1.00 0.00 H new ATOM 0 HG22 ILE A 85 9.140 -2.143 7.151 1.00 0.00 H new ATOM 0 HG23 ILE A 85 7.969 -3.004 6.124 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.298 -4.363 2.856 1.00 0.00 H new ATOM 0 HD12 ILE A 85 8.403 -4.450 4.631 1.00 0.00 H new ATOM 0 HD13 ILE A 85 7.363 -3.229 3.859 1.00 0.00 H new ATOM 1364 N ALA A 86 9.216 0.750 6.749 1.00 0.00 N ATOM 1365 CA ALA A 86 8.964 1.427 8.010 1.00 0.00 C ATOM 1366 C ALA A 86 7.972 2.569 7.780 1.00 0.00 C ATOM 1367 O ALA A 86 7.252 2.965 8.696 1.00 0.00 O ATOM 1368 CB ALA A 86 10.288 1.915 8.601 1.00 0.00 C ATOM 0 H ALA A 86 10.140 0.919 6.351 1.00 0.00 H new ATOM 0 HA ALA A 86 8.518 0.742 8.731 1.00 0.00 H new ATOM 0 HB1 ALA A 86 10.099 2.423 9.547 1.00 0.00 H new ATOM 0 HB2 ALA A 86 10.946 1.063 8.772 1.00 0.00 H new ATOM 0 HB3 ALA A 86 10.763 2.607 7.906 1.00 0.00 H new ATOM 1374 N ASP A 87 7.965 3.067 6.552 1.00 0.00 N ATOM 1375 CA ASP A 87 7.073 4.155 6.190 1.00 0.00 C ATOM 1376 C ASP A 87 5.682 3.592 5.893 1.00 0.00 C ATOM 1377 O ASP A 87 4.679 4.282 6.069 1.00 0.00 O ATOM 1378 CB ASP A 87 7.568 4.879 4.936 1.00 0.00 C ATOM 1379 CG ASP A 87 7.692 6.398 5.073 1.00 0.00 C ATOM 1380 OD1 ASP A 87 8.792 6.961 4.975 1.00 0.00 O ATOM 1381 OD2 ASP A 87 6.582 7.018 5.291 1.00 0.00 O ATOM 0 H ASP A 87 8.563 2.737 5.795 1.00 0.00 H new ATOM 0 HA ASP A 87 7.042 4.857 7.023 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.542 4.473 4.661 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.887 4.658 4.114 1.00 0.00 H new ATOM 1387 N ILE A 88 5.667 2.344 5.448 1.00 0.00 N ATOM 1388 CA ILE A 88 4.415 1.681 5.125 1.00 0.00 C ATOM 1389 C ILE A 88 3.832 1.055 6.394 1.00 0.00 C ATOM 1390 O ILE A 88 2.706 1.364 6.782 1.00 0.00 O ATOM 1391 CB ILE A 88 4.617 0.682 3.984 1.00 0.00 C ATOM 1392 CG1 ILE A 88 3.403 0.658 3.054 1.00 0.00 C ATOM 1393 CG2 ILE A 88 4.951 -0.710 4.526 1.00 0.00 C ATOM 1394 CD1 ILE A 88 3.806 0.998 1.618 1.00 0.00 C ATOM 0 H ILE A 88 6.501 1.775 5.304 1.00 0.00 H new ATOM 0 HA ILE A 88 3.684 2.403 4.761 1.00 0.00 H new ATOM 0 HB ILE A 88 5.470 1.010 3.391 1.00 0.00 H new ATOM 0 HG12 ILE A 88 2.939 -0.328 3.082 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.657 1.371 3.405 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.090 -1.401 3.694 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.868 -0.661 5.114 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.134 -1.061 5.156 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.924 0.974 0.977 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.248 1.994 1.590 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.533 0.269 1.262 1.00 0.00 H new ATOM 1406 N TYR A 89 4.625 0.187 7.006 1.00 0.00 N ATOM 1407 CA TYR A 89 4.201 -0.484 8.223 1.00 0.00 C ATOM 1408 C TYR A 89 5.069 -1.713 8.501 1.00 0.00 C ATOM 1409 O TYR A 89 5.627 -2.306 7.579 1.00 0.00 O ATOM 1410 CB TYR A 89 2.761 -0.938 7.975 1.00 0.00 C ATOM 1411 CG TYR A 89 2.539 -1.587 6.607 1.00 0.00 C ATOM 1412 CD1 TYR A 89 3.139 -2.794 6.311 1.00 0.00 C ATOM 1413 CD2 TYR A 89 1.740 -0.966 5.670 1.00 0.00 C ATOM 1414 CE1 TYR A 89 2.931 -3.405 5.024 1.00 0.00 C ATOM 1415 CE2 TYR A 89 1.531 -1.577 4.383 1.00 0.00 C ATOM 1416 CZ TYR A 89 2.137 -2.767 4.124 1.00 0.00 C ATOM 1417 OH TYR A 89 1.940 -3.344 2.908 1.00 0.00 O ATOM 0 H TYR A 89 5.558 -0.067 6.682 1.00 0.00 H new ATOM 0 HA TYR A 89 4.287 0.184 9.080 1.00 0.00 H new ATOM 0 HB2 TYR A 89 2.476 -1.647 8.752 1.00 0.00 H new ATOM 0 HB3 TYR A 89 2.098 -0.078 8.069 1.00 0.00 H new ATOM 0 HD1 TYR A 89 3.765 -3.280 7.045 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.271 -0.021 5.902 1.00 0.00 H new ATOM 0 HE1 TYR A 89 3.395 -4.349 4.779 1.00 0.00 H new ATOM 0 HE2 TYR A 89 0.907 -1.101 3.640 1.00 0.00 H new ATOM 0 HH TYR A 89 1.350 -2.777 2.369 1.00 0.00 H new ATOM 1427 N PRO A 90 5.159 -2.069 9.811 1.00 0.00 N ATOM 1428 CA PRO A 90 5.949 -3.216 10.222 1.00 0.00 C ATOM 1429 C PRO A 90 5.235 -4.526 9.880 1.00 0.00 C ATOM 1430 O PRO A 90 4.320 -4.541 9.058 1.00 0.00 O ATOM 1431 CB PRO A 90 6.165 -3.031 11.716 1.00 0.00 C ATOM 1432 CG PRO A 90 5.104 -2.041 12.170 1.00 0.00 C ATOM 1433 CD PRO A 90 4.512 -1.391 10.930 1.00 0.00 C ATOM 0 HA PRO A 90 6.903 -3.277 9.699 1.00 0.00 H new ATOM 0 HB2 PRO A 90 6.067 -3.979 12.245 1.00 0.00 H new ATOM 0 HB3 PRO A 90 7.166 -2.653 11.922 1.00 0.00 H new ATOM 0 HG2 PRO A 90 4.328 -2.549 12.742 1.00 0.00 H new ATOM 0 HG3 PRO A 90 5.541 -1.287 12.825 1.00 0.00 H new ATOM 0 HD2 PRO A 90 3.430 -1.516 10.896 1.00 0.00 H new ATOM 0 HD3 PRO A 90 4.710 -0.319 10.912 1.00 0.00 H new ATOM 1441 N GLY A 91 5.681 -5.592 10.527 1.00 0.00 N ATOM 1442 CA GLY A 91 5.096 -6.903 10.302 1.00 0.00 C ATOM 1443 C GLY A 91 5.734 -7.587 9.091 1.00 0.00 C ATOM 1444 O GLY A 91 5.549 -7.149 7.957 1.00 0.00 O ATOM 0 H GLY A 91 6.441 -5.575 11.207 1.00 0.00 H new ATOM 0 HA2 GLY A 91 5.232 -7.523 11.188 1.00 0.00 H new ATOM 0 HA3 GLY A 91 4.022 -6.804 10.144 1.00 0.00 H new ATOM 1448 N GLN A 92 6.472 -8.651 9.373 1.00 0.00 N ATOM 1449 CA GLN A 92 7.139 -9.400 8.322 1.00 0.00 C ATOM 1450 C GLN A 92 6.580 -10.822 8.248 1.00 0.00 C ATOM 1451 O GLN A 92 7.330 -11.778 8.054 1.00 0.00 O ATOM 1452 CB GLN A 92 8.653 -9.416 8.536 1.00 0.00 C ATOM 1453 CG GLN A 92 9.395 -9.511 7.201 1.00 0.00 C ATOM 1454 CD GLN A 92 9.949 -10.921 6.982 1.00 0.00 C ATOM 1455 OE1 GLN A 92 11.003 -11.285 7.476 1.00 0.00 O ATOM 1456 NE2 GLN A 92 9.182 -11.690 6.214 1.00 0.00 N ATOM 0 H GLN A 92 6.623 -9.012 10.315 1.00 0.00 H new ATOM 0 HA GLN A 92 6.946 -8.904 7.371 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.959 -8.512 9.063 1.00 0.00 H new ATOM 0 HB3 GLN A 92 8.925 -10.261 9.168 1.00 0.00 H new ATOM 0 HG2 GLN A 92 8.720 -9.251 6.386 1.00 0.00 H new ATOM 0 HG3 GLN A 92 10.211 -8.789 7.182 1.00 0.00 H new ATOM 0 HE21 GLN A 92 8.311 -11.322 5.832 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.465 -12.648 6.007 1.00 0.00 H new ATOM 1465 N THR A 93 5.268 -10.918 8.406 1.00 0.00 N ATOM 1466 CA THR A 93 4.601 -12.208 8.359 1.00 0.00 C ATOM 1467 C THR A 93 3.324 -12.117 7.522 1.00 0.00 C ATOM 1468 O THR A 93 2.716 -11.052 7.423 1.00 0.00 O ATOM 1469 CB THR A 93 4.353 -12.664 9.798 1.00 0.00 C ATOM 1470 OG1 THR A 93 3.309 -11.809 10.259 1.00 0.00 O ATOM 1471 CG2 THR A 93 5.529 -12.348 10.724 1.00 0.00 C ATOM 0 H THR A 93 4.649 -10.123 8.567 1.00 0.00 H new ATOM 0 HA THR A 93 5.222 -12.957 7.868 1.00 0.00 H new ATOM 0 HB THR A 93 4.160 -13.737 9.810 1.00 0.00 H new ATOM 0 HG1 THR A 93 3.084 -12.037 11.185 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.301 -12.692 11.733 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.424 -12.854 10.362 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.702 -11.272 10.739 1.00 0.00 H new ATOM 1479 N GLN A 94 2.955 -13.249 6.939 1.00 0.00 N ATOM 1480 CA GLN A 94 1.761 -13.311 6.113 1.00 0.00 C ATOM 1481 C GLN A 94 0.689 -12.364 6.658 1.00 0.00 C ATOM 1482 O GLN A 94 0.575 -12.181 7.869 1.00 0.00 O ATOM 1483 CB GLN A 94 1.232 -14.743 6.021 1.00 0.00 C ATOM 1484 CG GLN A 94 2.050 -15.567 5.024 1.00 0.00 C ATOM 1485 CD GLN A 94 2.288 -16.984 5.549 1.00 0.00 C ATOM 1486 OE1 GLN A 94 2.741 -17.194 6.662 1.00 0.00 O ATOM 1487 NE2 GLN A 94 1.958 -17.942 4.688 1.00 0.00 N ATOM 0 H GLN A 94 3.462 -14.130 7.023 1.00 0.00 H new ATOM 0 HA GLN A 94 2.023 -12.990 5.105 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.270 -15.212 7.004 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.186 -14.729 5.715 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.527 -15.612 4.069 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.007 -15.078 4.841 1.00 0.00 H new ATOM 0 HE21 GLN A 94 1.584 -17.697 3.771 1.00 0.00 H new ATOM 0 HE22 GLN A 94 2.079 -18.922 4.944 1.00 0.00 H new ATOM 1496 N PHE A 95 -0.069 -11.788 5.737 1.00 0.00 N ATOM 1497 CA PHE A 95 -1.128 -10.865 6.109 1.00 0.00 C ATOM 1498 C PHE A 95 -2.131 -10.692 4.967 1.00 0.00 C ATOM 1499 O PHE A 95 -1.999 -11.322 3.919 1.00 0.00 O ATOM 1500 CB PHE A 95 -0.465 -9.517 6.399 1.00 0.00 C ATOM 1501 CG PHE A 95 0.198 -9.433 7.775 1.00 0.00 C ATOM 1502 CD1 PHE A 95 -0.433 -9.943 8.867 1.00 0.00 C ATOM 1503 CD2 PHE A 95 1.419 -8.848 7.907 1.00 0.00 C ATOM 1504 CE1 PHE A 95 0.183 -9.865 10.144 1.00 0.00 C ATOM 1505 CE2 PHE A 95 2.035 -8.770 9.184 1.00 0.00 C ATOM 1506 CZ PHE A 95 1.404 -9.280 10.276 1.00 0.00 C ATOM 0 H PHE A 95 0.029 -11.943 4.734 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.668 -11.248 6.975 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.285 -9.320 5.633 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -1.215 -8.730 6.320 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.403 -10.407 8.763 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.920 -8.443 7.040 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -0.318 -10.270 11.011 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.005 -8.306 9.288 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.872 -9.220 11.247 1.00 0.00 H new ATOM 1516 N TYR A 96 -3.112 -9.834 5.209 1.00 0.00 N ATOM 1517 CA TYR A 96 -4.137 -9.570 4.213 1.00 0.00 C ATOM 1518 C TYR A 96 -3.629 -8.595 3.149 1.00 0.00 C ATOM 1519 O TYR A 96 -3.025 -7.574 3.475 1.00 0.00 O ATOM 1520 CB TYR A 96 -5.300 -8.922 4.968 1.00 0.00 C ATOM 1521 CG TYR A 96 -6.593 -9.739 4.937 1.00 0.00 C ATOM 1522 CD1 TYR A 96 -6.666 -10.942 5.609 1.00 0.00 C ATOM 1523 CD2 TYR A 96 -7.687 -9.273 4.236 1.00 0.00 C ATOM 1524 CE1 TYR A 96 -7.883 -11.711 5.580 1.00 0.00 C ATOM 1525 CE2 TYR A 96 -8.905 -10.041 4.207 1.00 0.00 C ATOM 1526 CZ TYR A 96 -8.943 -11.222 4.880 1.00 0.00 C ATOM 1527 OH TYR A 96 -10.092 -11.948 4.853 1.00 0.00 O ATOM 0 H TYR A 96 -3.219 -9.313 6.080 1.00 0.00 H new ATOM 0 HA TYR A 96 -4.428 -10.491 3.707 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.005 -8.767 6.006 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.494 -7.938 4.541 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -5.810 -11.307 6.157 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -7.630 -8.332 3.709 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -7.953 -12.654 6.102 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -9.768 -9.687 3.663 1.00 0.00 H new ATOM 0 HH TYR A 96 -10.764 -11.477 4.317 1.00 0.00 H new ATOM 1537 N VAL A 97 -3.894 -8.944 1.899 1.00 0.00 N ATOM 1538 CA VAL A 97 -3.471 -8.113 0.784 1.00 0.00 C ATOM 1539 C VAL A 97 -4.703 -7.652 0.002 1.00 0.00 C ATOM 1540 O VAL A 97 -5.557 -8.463 -0.352 1.00 0.00 O ATOM 1541 CB VAL A 97 -2.462 -8.870 -0.081 1.00 0.00 C ATOM 1542 CG1 VAL A 97 -2.133 -8.087 -1.353 1.00 0.00 C ATOM 1543 CG2 VAL A 97 -1.192 -9.190 0.710 1.00 0.00 C ATOM 0 H VAL A 97 -4.396 -9.791 1.633 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.962 -7.220 1.145 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.918 -9.814 -0.378 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.413 -8.648 -1.950 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.044 -7.934 -1.932 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.707 -7.120 -1.085 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.492 -9.728 0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.733 -8.262 1.051 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.446 -9.808 1.572 1.00 0.00 H new ATOM 1553 N ILE A 98 -4.755 -6.351 -0.245 1.00 0.00 N ATOM 1554 CA ILE A 98 -5.867 -5.773 -0.979 1.00 0.00 C ATOM 1555 C ILE A 98 -5.339 -5.088 -2.241 1.00 0.00 C ATOM 1556 O ILE A 98 -4.484 -4.207 -2.162 1.00 0.00 O ATOM 1557 CB ILE A 98 -6.684 -4.849 -0.074 1.00 0.00 C ATOM 1558 CG1 ILE A 98 -6.699 -5.365 1.366 1.00 0.00 C ATOM 1559 CG2 ILE A 98 -8.097 -4.649 -0.626 1.00 0.00 C ATOM 1560 CD1 ILE A 98 -7.337 -6.754 1.444 1.00 0.00 C ATOM 0 H ILE A 98 -4.045 -5.681 0.050 1.00 0.00 H new ATOM 0 HA ILE A 98 -6.555 -6.553 -1.304 1.00 0.00 H new ATOM 0 HB ILE A 98 -6.202 -3.871 -0.061 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.680 -5.407 1.752 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -7.252 -4.671 1.999 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -8.656 -3.988 0.036 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.040 -4.204 -1.619 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.603 -5.612 -0.689 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -7.335 -7.098 2.478 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -8.363 -6.704 1.080 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.768 -7.451 0.829 1.00 0.00 H new ATOM 1572 N GLU A 99 -5.870 -5.517 -3.376 1.00 0.00 N ATOM 1573 CA GLU A 99 -5.463 -4.956 -4.653 1.00 0.00 C ATOM 1574 C GLU A 99 -6.451 -3.875 -5.097 1.00 0.00 C ATOM 1575 O GLU A 99 -7.652 -3.991 -4.859 1.00 0.00 O ATOM 1576 CB GLU A 99 -5.332 -6.049 -5.716 1.00 0.00 C ATOM 1577 CG GLU A 99 -4.233 -5.706 -6.723 1.00 0.00 C ATOM 1578 CD GLU A 99 -3.980 -6.874 -7.678 1.00 0.00 C ATOM 1579 OE1 GLU A 99 -3.019 -7.634 -7.488 1.00 0.00 O ATOM 1580 OE2 GLU A 99 -4.826 -6.979 -8.647 1.00 0.00 O ATOM 0 H GLU A 99 -6.579 -6.247 -3.438 1.00 0.00 H new ATOM 0 HA GLU A 99 -4.482 -4.496 -4.529 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.107 -7.002 -5.237 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.282 -6.171 -6.237 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.520 -4.822 -7.292 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.313 -5.459 -6.193 1.00 0.00 H new ATOM 1588 N PHE A 100 -5.908 -2.849 -5.735 1.00 0.00 N ATOM 1589 CA PHE A 100 -6.726 -1.748 -6.215 1.00 0.00 C ATOM 1590 C PHE A 100 -6.132 -1.136 -7.485 1.00 0.00 C ATOM 1591 O PHE A 100 -5.022 -1.483 -7.885 1.00 0.00 O ATOM 1592 CB PHE A 100 -6.743 -0.689 -5.111 1.00 0.00 C ATOM 1593 CG PHE A 100 -5.400 0.014 -4.904 1.00 0.00 C ATOM 1594 CD1 PHE A 100 -4.344 -0.673 -4.391 1.00 0.00 C ATOM 1595 CD2 PHE A 100 -5.262 1.327 -5.233 1.00 0.00 C ATOM 1596 CE1 PHE A 100 -3.098 -0.020 -4.199 1.00 0.00 C ATOM 1597 CE2 PHE A 100 -4.016 1.980 -5.041 1.00 0.00 C ATOM 1598 CZ PHE A 100 -2.960 1.293 -4.528 1.00 0.00 C ATOM 0 H PHE A 100 -4.911 -2.757 -5.931 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.728 -2.105 -6.451 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.500 0.058 -5.350 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.044 -1.159 -4.175 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -4.453 -1.715 -4.130 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -6.100 1.873 -5.640 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.260 -0.566 -3.792 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -3.907 3.022 -5.302 1.00 0.00 H new ATOM 0 HZ PHE A 100 -2.012 1.790 -4.382 1.00 0.00 H new ATOM 1608 N LYS A 101 -6.898 -0.235 -8.083 1.00 0.00 N ATOM 1609 CA LYS A 101 -6.461 0.429 -9.299 1.00 0.00 C ATOM 1610 C LYS A 101 -7.015 1.855 -9.324 1.00 0.00 C ATOM 1611 O LYS A 101 -8.083 2.119 -8.773 1.00 0.00 O ATOM 1612 CB LYS A 101 -6.839 -0.400 -10.528 1.00 0.00 C ATOM 1613 CG LYS A 101 -8.283 -0.125 -10.951 1.00 0.00 C ATOM 1614 CD LYS A 101 -8.564 -0.691 -12.345 1.00 0.00 C ATOM 1615 CE LYS A 101 -9.937 -0.246 -12.851 1.00 0.00 C ATOM 1616 NZ LYS A 101 -10.969 -1.249 -12.503 1.00 0.00 N ATOM 0 H LYS A 101 -7.818 0.050 -7.748 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.374 0.509 -9.320 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.164 -0.165 -11.351 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -6.716 -1.460 -10.308 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.968 -0.570 -10.229 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.469 0.949 -10.947 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.792 -0.359 -13.039 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.519 -1.780 -12.315 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.197 0.718 -12.414 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.905 -0.108 -13.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.895 -0.931 -12.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -10.728 -2.161 -12.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.010 -1.360 -11.470 1.00 0.00 H new ATOM 1629 N CYS A 102 -6.266 2.736 -9.970 1.00 0.00 N ATOM 1630 CA CYS A 102 -6.669 4.128 -10.074 1.00 0.00 C ATOM 1631 C CYS A 102 -7.453 4.305 -11.376 1.00 0.00 C ATOM 1632 O CYS A 102 -6.968 3.950 -12.449 1.00 0.00 O ATOM 1633 CB CYS A 102 -5.468 5.073 -9.998 1.00 0.00 C ATOM 1634 SG CYS A 102 -5.952 6.747 -10.558 1.00 0.00 S ATOM 0 H CYS A 102 -5.382 2.513 -10.427 1.00 0.00 H new ATOM 0 HA CYS A 102 -7.306 4.388 -9.229 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -5.094 5.117 -8.975 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -4.656 4.693 -10.619 1.00 0.00 H new ATOM 0 HG CYS A 102 -6.702 6.651 -11.615 1.00 0.00 H new ATOM 1640 N LEU A 103 -8.651 4.854 -11.238 1.00 0.00 N ATOM 1641 CA LEU A 103 -9.507 5.082 -12.390 1.00 0.00 C ATOM 1642 C LEU A 103 -8.992 6.293 -13.170 1.00 0.00 C ATOM 1643 O LEU A 103 -8.220 7.093 -12.643 1.00 0.00 O ATOM 1644 CB LEU A 103 -10.968 5.206 -11.956 1.00 0.00 C ATOM 1645 CG LEU A 103 -11.483 4.116 -11.013 1.00 0.00 C ATOM 1646 CD1 LEU A 103 -12.658 4.626 -10.176 1.00 0.00 C ATOM 1647 CD2 LEU A 103 -11.837 2.845 -11.786 1.00 0.00 C ATOM 0 H LEU A 103 -9.049 5.148 -10.346 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.472 4.228 -13.066 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -11.101 6.172 -11.469 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -11.593 5.211 -12.849 1.00 0.00 H new ATOM 0 HG LEU A 103 -10.683 3.857 -10.319 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -13.005 3.832 -9.515 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -12.337 5.480 -9.580 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -13.471 4.929 -10.836 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -12.200 2.087 -11.092 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -12.613 3.069 -12.518 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -10.950 2.472 -12.299 1.00 0.00 H new TER 1659 LEU A 103