USER MOD reduce.3.24.130724 H: found=0, std=0, add=1059, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1058 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 SER OG : rot -94:sc= 0.0021 USER MOD Set 1.2: A 19 ASN : amide:sc= -0.747 K(o=-0.74,f=0) USER MOD Single : A 16 THR OG1 : rot 92:sc= 0.043 USER MOD Single : A 24 SER OG : rot -36:sc= 0.265! USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0152 USER MOD Single : A 31 MET CE :methyl -162:sc= -1.48 (180deg=-2.68!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot -103:sc= 1.17 USER MOD Single : A 38 HIS : no HD1:sc= -0.0573 K(o=-0.057,f=-1.1) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.525 USER MOD Single : A 51 HIS : no HD1:sc= -0.249 X(o=-0.25,f=-0.01) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.898 K(o=-0.9,f=-3.8!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -156:sc= -0.181 (180deg=-0.98) USER MOD Single : A 70 SER OG : rot 180:sc= -0.0979 USER MOD Single : A 72 SER OG : rot 180:sc= -0.0711 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 170:sc= 0.111 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.499 K(o=-0.5,f=-2.9!) USER MOD Single : A 88 SER OG : rot 180:sc= 0.00564 USER MOD Single : A 96 SER OG : rot 61:sc= 1.33 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 110 GLN : amide:sc= -0.195 X(o=-0.2,f=-0.018) USER MOD Single : A 113 LYS NZ :NH3+ -133:sc= 0.0703 (180deg=0) USER MOD Single : A 114 MET CE :methyl -135:sc=-0.00609 (180deg=-0.505) USER MOD Single : A 119 SER OG : rot 156:sc= 0.681 USER MOD Single : A 120 ASN : amide:sc= -6.13! C(o=-6.1!,f=-12!) USER MOD Single : A 121 SER OG : rot 180:sc= -0.0265 USER MOD Single : A 122 CYS SG : rot 26:sc= -0.762 USER MOD Single : A 126 CYS SG : rot -98:sc= -5.26! USER MOD Single : A 127 ASN : amide:sc= -0.358 X(o=-0.36,f=-0.068) USER MOD Single : A 135 LYS NZ :NH3+ -131:sc=-0.00299 (180deg=-1.86!) USER MOD Single : A 136 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 THR OG1 : rot 41:sc= 0.0457 USER MOD Single : A 144 MET CE :methyl -104:sc= 0 (180deg=-0.375) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 SER OG : rot 11:sc= -0.137 USER MOD Single : A 150 CYS SG : rot -121:sc= -0.0998 USER MOD ----------------------------------------------------------------- ATOM 87 N ASP A 9 -6.758 -8.858 10.416 1.00 0.00 N ATOM 88 CA ASP A 9 -7.718 -7.807 10.734 1.00 0.00 C ATOM 89 C ASP A 9 -8.528 -7.418 9.502 1.00 0.00 C ATOM 90 O ASP A 9 -8.111 -6.568 8.715 1.00 0.00 O ATOM 91 CB ASP A 9 -6.995 -6.579 11.292 1.00 0.00 C ATOM 92 CG ASP A 9 -7.759 -5.924 12.424 1.00 0.00 C ATOM 93 OD1 ASP A 9 -8.169 -6.644 13.359 1.00 0.00 O ATOM 94 OD2 ASP A 9 -7.949 -4.689 12.378 1.00 0.00 O ATOM 0 HA ASP A 9 -8.403 -8.192 11.490 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.007 -6.872 11.646 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.845 -5.854 10.492 1.00 0.00 H new ATOM 99 N ILE A 10 -9.689 -8.045 9.341 1.00 0.00 N ATOM 100 CA ILE A 10 -10.558 -7.763 8.204 1.00 0.00 C ATOM 101 C ILE A 10 -11.690 -6.820 8.599 1.00 0.00 C ATOM 102 O ILE A 10 -12.399 -7.060 9.576 1.00 0.00 O ATOM 103 CB ILE A 10 -11.155 -9.059 7.618 1.00 0.00 C ATOM 104 CG1 ILE A 10 -11.958 -8.753 6.352 1.00 0.00 C ATOM 105 CG2 ILE A 10 -12.029 -9.760 8.650 1.00 0.00 C ATOM 106 CD1 ILE A 10 -12.060 -9.925 5.402 1.00 0.00 C ATOM 0 H ILE A 10 -10.049 -8.751 9.983 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.942 -7.283 7.443 1.00 0.00 H new ATOM 0 HB ILE A 10 -10.335 -9.727 7.353 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -12.962 -8.438 6.636 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -11.495 -7.914 5.832 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -12.441 -10.672 8.218 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -11.429 -10.011 9.524 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -12.843 -9.099 8.947 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -12.643 -9.635 4.528 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -11.061 -10.227 5.088 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -12.550 -10.759 5.904 1.00 0.00 H new ATOM 118 N VAL A 11 -11.853 -5.746 7.832 1.00 0.00 N ATOM 119 CA VAL A 11 -12.898 -4.766 8.101 1.00 0.00 C ATOM 120 C VAL A 11 -13.829 -4.613 6.903 1.00 0.00 C ATOM 121 O VAL A 11 -13.522 -3.892 5.955 1.00 0.00 O ATOM 122 CB VAL A 11 -12.301 -3.391 8.453 1.00 0.00 C ATOM 123 CG1 VAL A 11 -13.391 -2.438 8.918 1.00 0.00 C ATOM 124 CG2 VAL A 11 -11.220 -3.535 9.513 1.00 0.00 C ATOM 0 H VAL A 11 -11.274 -5.533 7.019 1.00 0.00 H new ATOM 0 HA VAL A 11 -13.467 -5.135 8.954 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.845 -2.973 7.556 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -12.950 -1.472 9.162 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.126 -2.311 8.123 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -13.879 -2.848 9.802 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.809 -2.553 9.749 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -11.649 -3.975 10.413 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.426 -4.180 9.137 1.00 0.00 H new ATOM 134 N GLY A 12 -14.968 -5.297 6.953 1.00 0.00 N ATOM 135 CA GLY A 12 -15.925 -5.224 5.866 1.00 0.00 C ATOM 136 C GLY A 12 -15.500 -6.048 4.666 1.00 0.00 C ATOM 137 O GLY A 12 -15.833 -7.229 4.566 1.00 0.00 O ATOM 0 H GLY A 12 -15.245 -5.900 7.727 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -16.897 -5.572 6.217 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -16.049 -4.184 5.564 1.00 0.00 H new ATOM 141 N ILE A 13 -14.762 -5.424 3.754 1.00 0.00 N ATOM 142 CA ILE A 13 -14.289 -6.107 2.556 1.00 0.00 C ATOM 143 C ILE A 13 -12.804 -5.844 2.325 1.00 0.00 C ATOM 144 O ILE A 13 -12.339 -5.809 1.186 1.00 0.00 O ATOM 145 CB ILE A 13 -15.077 -5.669 1.306 1.00 0.00 C ATOM 146 CG1 ILE A 13 -15.225 -4.147 1.272 1.00 0.00 C ATOM 147 CG2 ILE A 13 -16.443 -6.341 1.281 1.00 0.00 C ATOM 148 CD1 ILE A 13 -15.002 -3.548 -0.100 1.00 0.00 C ATOM 0 H ILE A 13 -14.479 -4.447 3.822 1.00 0.00 H new ATOM 0 HA ILE A 13 -14.448 -7.173 2.718 1.00 0.00 H new ATOM 0 HB ILE A 13 -14.523 -5.978 0.420 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -16.223 -3.879 1.618 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -14.516 -3.705 1.972 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -16.989 -6.023 0.393 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -16.316 -7.423 1.260 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -17.004 -6.059 2.172 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -15.123 -2.466 -0.049 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -13.994 -3.785 -0.441 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -15.728 -3.961 -0.800 1.00 0.00 H new ATOM 160 N TRP A 14 -12.066 -5.660 3.415 1.00 0.00 N ATOM 161 CA TRP A 14 -10.633 -5.401 3.336 1.00 0.00 C ATOM 162 C TRP A 14 -9.881 -6.174 4.413 1.00 0.00 C ATOM 163 O TRP A 14 -10.140 -6.009 5.604 1.00 0.00 O ATOM 164 CB TRP A 14 -10.356 -3.904 3.480 1.00 0.00 C ATOM 165 CG TRP A 14 -11.093 -3.062 2.484 1.00 0.00 C ATOM 166 CD1 TRP A 14 -12.372 -2.595 2.593 1.00 0.00 C ATOM 167 CD2 TRP A 14 -10.598 -2.588 1.226 1.00 0.00 C ATOM 168 NE1 TRP A 14 -12.701 -1.859 1.480 1.00 0.00 N ATOM 169 CE2 TRP A 14 -11.628 -1.841 0.627 1.00 0.00 C ATOM 170 CE3 TRP A 14 -9.382 -2.724 0.550 1.00 0.00 C ATOM 171 CZ2 TRP A 14 -11.480 -1.231 -0.617 1.00 0.00 C ATOM 172 CZ3 TRP A 14 -9.236 -2.118 -0.684 1.00 0.00 C ATOM 173 CH2 TRP A 14 -10.279 -1.379 -1.256 1.00 0.00 C ATOM 0 H TRP A 14 -12.437 -5.686 4.365 1.00 0.00 H new ATOM 0 HA TRP A 14 -10.281 -5.737 2.360 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -10.631 -3.587 4.486 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -9.286 -3.728 3.371 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -13.028 -2.777 3.431 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -13.597 -1.401 1.315 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -8.572 -3.292 0.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -12.284 -0.662 -1.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -8.301 -2.216 -1.216 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -10.133 -0.917 -2.221 1.00 0.00 H new ATOM 184 N TRP A 15 -8.949 -7.021 3.986 1.00 0.00 N ATOM 185 CA TRP A 15 -8.159 -7.821 4.916 1.00 0.00 C ATOM 186 C TRP A 15 -6.678 -7.471 4.812 1.00 0.00 C ATOM 187 O TRP A 15 -6.151 -7.273 3.718 1.00 0.00 O ATOM 188 CB TRP A 15 -8.363 -9.311 4.638 1.00 0.00 C ATOM 189 CG TRP A 15 -8.165 -9.681 3.200 1.00 0.00 C ATOM 190 CD1 TRP A 15 -9.092 -9.607 2.201 1.00 0.00 C ATOM 191 CD2 TRP A 15 -6.966 -10.181 2.600 1.00 0.00 C ATOM 192 NE1 TRP A 15 -8.543 -10.032 1.016 1.00 0.00 N ATOM 193 CE2 TRP A 15 -7.239 -10.390 1.234 1.00 0.00 C ATOM 194 CE3 TRP A 15 -5.687 -10.474 3.083 1.00 0.00 C ATOM 195 CZ2 TRP A 15 -6.280 -10.876 0.349 1.00 0.00 C ATOM 196 CZ3 TRP A 15 -4.737 -10.957 2.203 1.00 0.00 C ATOM 197 CH2 TRP A 15 -5.037 -11.154 0.850 1.00 0.00 C ATOM 0 H TRP A 15 -8.723 -7.171 3.003 1.00 0.00 H new ATOM 0 HA TRP A 15 -8.497 -7.597 5.928 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -7.670 -9.886 5.252 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -9.370 -9.595 4.943 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -10.109 -9.264 2.324 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -9.028 -10.074 0.119 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -5.446 -10.326 4.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.509 -11.028 -0.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -3.746 -11.186 2.566 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.272 -11.533 0.188 1.00 0.00 H new ATOM 208 N THR A 16 -6.013 -7.396 5.960 1.00 0.00 N ATOM 209 CA THR A 16 -4.592 -7.069 6.000 1.00 0.00 C ATOM 210 C THR A 16 -3.754 -8.221 5.454 1.00 0.00 C ATOM 211 O THR A 16 -3.896 -9.365 5.888 1.00 0.00 O ATOM 212 CB THR A 16 -4.162 -6.743 7.431 1.00 0.00 C ATOM 213 OG1 THR A 16 -5.242 -6.195 8.165 1.00 0.00 O ATOM 214 CG2 THR A 16 -3.013 -5.761 7.501 1.00 0.00 C ATOM 0 H THR A 16 -6.435 -7.557 6.875 1.00 0.00 H new ATOM 0 HA THR A 16 -4.428 -6.194 5.371 1.00 0.00 H new ATOM 0 HB THR A 16 -3.834 -7.691 7.858 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.722 -6.914 8.627 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.758 -5.573 8.544 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.147 -6.176 6.985 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.305 -4.825 7.025 1.00 0.00 H new ATOM 222 N VAL A 17 -2.880 -7.912 4.503 1.00 0.00 N ATOM 223 CA VAL A 17 -2.018 -8.921 3.898 1.00 0.00 C ATOM 224 C VAL A 17 -1.036 -9.487 4.919 1.00 0.00 C ATOM 225 O VAL A 17 -0.830 -8.907 5.984 1.00 0.00 O ATOM 226 CB VAL A 17 -1.229 -8.347 2.707 1.00 0.00 C ATOM 227 CG1 VAL A 17 -2.145 -8.132 1.513 1.00 0.00 C ATOM 228 CG2 VAL A 17 -0.538 -7.050 3.100 1.00 0.00 C ATOM 0 H VAL A 17 -2.749 -6.970 4.134 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.668 -9.719 3.541 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.463 -9.067 2.421 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.569 -7.726 0.681 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.587 -9.083 1.218 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.936 -7.432 1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.015 -6.659 2.246 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.285 -6.321 3.414 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.152 -7.240 3.922 1.00 0.00 H new ATOM 238 N SER A 18 -0.432 -10.622 4.584 1.00 0.00 N ATOM 239 CA SER A 18 0.529 -11.268 5.470 1.00 0.00 C ATOM 240 C SER A 18 1.955 -11.047 4.979 1.00 0.00 C ATOM 241 O SER A 18 2.873 -10.844 5.773 1.00 0.00 O ATOM 242 CB SER A 18 0.237 -12.766 5.570 1.00 0.00 C ATOM 243 OG SER A 18 1.324 -13.459 6.157 1.00 0.00 O ATOM 0 H SER A 18 -0.591 -11.114 3.705 1.00 0.00 H new ATOM 0 HA SER A 18 0.431 -10.820 6.459 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.663 -12.925 6.164 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.039 -13.168 4.576 1.00 0.00 H new ATOM 0 HG SER A 18 1.913 -13.800 5.452 1.00 0.00 H new ATOM 249 N ASN A 19 2.135 -11.090 3.663 1.00 0.00 N ATOM 250 CA ASN A 19 3.451 -10.895 3.063 1.00 0.00 C ATOM 251 C ASN A 19 3.330 -10.260 1.681 1.00 0.00 C ATOM 252 O ASN A 19 2.227 -9.993 1.204 1.00 0.00 O ATOM 253 CB ASN A 19 4.199 -12.228 2.964 1.00 0.00 C ATOM 254 CG ASN A 19 3.293 -13.377 2.563 1.00 0.00 C ATOM 255 OD1 ASN A 19 2.984 -14.252 3.372 1.00 0.00 O ATOM 256 ND2 ASN A 19 2.863 -13.381 1.307 1.00 0.00 N ATOM 0 H ASN A 19 1.386 -11.258 2.991 1.00 0.00 H new ATOM 0 HA ASN A 19 4.017 -10.220 3.705 1.00 0.00 H new ATOM 0 HB2 ASN A 19 5.005 -12.135 2.236 1.00 0.00 H new ATOM 0 HB3 ASN A 19 4.661 -12.453 3.925 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.252 -14.129 0.980 1.00 0.00 H new ATOM 0 HD22 ASN A 19 3.144 -12.636 0.670 1.00 0.00 H new ATOM 263 N PHE A 20 4.472 -10.021 1.043 1.00 0.00 N ATOM 264 CA PHE A 20 4.495 -9.416 -0.285 1.00 0.00 C ATOM 265 C PHE A 20 3.704 -10.254 -1.282 1.00 0.00 C ATOM 266 O PHE A 20 2.944 -9.721 -2.093 1.00 0.00 O ATOM 267 CB PHE A 20 5.937 -9.253 -0.769 1.00 0.00 C ATOM 268 CG PHE A 20 6.049 -8.575 -2.104 1.00 0.00 C ATOM 269 CD1 PHE A 20 5.999 -7.193 -2.200 1.00 0.00 C ATOM 270 CD2 PHE A 20 6.202 -9.318 -3.264 1.00 0.00 C ATOM 271 CE1 PHE A 20 6.101 -6.566 -3.427 1.00 0.00 C ATOM 272 CE2 PHE A 20 6.304 -8.696 -4.494 1.00 0.00 C ATOM 273 CZ PHE A 20 6.253 -7.319 -4.575 1.00 0.00 C ATOM 0 H PHE A 20 5.393 -10.237 1.424 1.00 0.00 H new ATOM 0 HA PHE A 20 4.028 -8.434 -0.215 1.00 0.00 H new ATOM 0 HB2 PHE A 20 6.497 -8.679 -0.031 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.405 -10.236 -0.829 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.879 -6.600 -1.306 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.242 -10.396 -3.206 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.062 -5.488 -3.488 1.00 0.00 H new ATOM 0 HE2 PHE A 20 6.423 -9.286 -5.390 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.332 -6.831 -5.535 1.00 0.00 H new ATOM 283 N GLY A 21 3.885 -11.569 -1.219 1.00 0.00 N ATOM 284 CA GLY A 21 3.181 -12.461 -2.123 1.00 0.00 C ATOM 285 C GLY A 21 1.675 -12.280 -2.067 1.00 0.00 C ATOM 286 O GLY A 21 0.971 -12.592 -3.028 1.00 0.00 O ATOM 0 H GLY A 21 4.507 -12.034 -0.558 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.526 -12.286 -3.142 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.429 -13.493 -1.875 1.00 0.00 H new ATOM 290 N GLU A 22 1.181 -11.775 -0.941 1.00 0.00 N ATOM 291 CA GLU A 22 -0.250 -11.553 -0.766 1.00 0.00 C ATOM 292 C GLU A 22 -0.682 -10.244 -1.419 1.00 0.00 C ATOM 293 O GLU A 22 -1.820 -10.110 -1.870 1.00 0.00 O ATOM 294 CB GLU A 22 -0.605 -11.536 0.722 1.00 0.00 C ATOM 295 CG GLU A 22 -0.835 -12.920 1.308 1.00 0.00 C ATOM 296 CD GLU A 22 -2.105 -13.568 0.793 1.00 0.00 C ATOM 297 OE1 GLU A 22 -3.185 -13.284 1.352 1.00 0.00 O ATOM 298 OE2 GLU A 22 -2.019 -14.359 -0.169 1.00 0.00 O ATOM 0 H GLU A 22 1.750 -11.512 -0.136 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.782 -12.372 -1.251 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.198 -11.046 1.273 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.503 -10.936 0.866 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.016 -13.558 1.069 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.884 -12.847 2.394 1.00 0.00 H new ATOM 305 N ILE A 23 0.232 -9.280 -1.465 1.00 0.00 N ATOM 306 CA ILE A 23 -0.056 -7.983 -2.063 1.00 0.00 C ATOM 307 C ILE A 23 -0.224 -8.100 -3.574 1.00 0.00 C ATOM 308 O ILE A 23 0.756 -8.206 -4.311 1.00 0.00 O ATOM 309 CB ILE A 23 1.059 -6.963 -1.758 1.00 0.00 C ATOM 310 CG1 ILE A 23 1.371 -6.945 -0.261 1.00 0.00 C ATOM 311 CG2 ILE A 23 0.654 -5.576 -2.236 1.00 0.00 C ATOM 312 CD1 ILE A 23 2.461 -5.966 0.118 1.00 0.00 C ATOM 0 H ILE A 23 1.178 -9.373 -1.095 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.989 -7.632 -1.623 1.00 0.00 H new ATOM 0 HB ILE A 23 1.960 -7.263 -2.294 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.463 -6.696 0.288 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.668 -7.946 0.052 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.452 -4.867 -2.013 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.478 -5.599 -3.312 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.258 -5.267 -1.726 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.629 -6.007 1.194 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.382 -6.227 -0.403 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.158 -4.957 -0.164 1.00 0.00 H new ATOM 324 N SER A 24 -1.473 -8.081 -4.029 1.00 0.00 N ATOM 325 CA SER A 24 -1.769 -8.186 -5.453 1.00 0.00 C ATOM 326 C SER A 24 -3.175 -7.677 -5.754 1.00 0.00 C ATOM 327 O SER A 24 -4.164 -8.239 -5.281 1.00 0.00 O ATOM 328 CB SER A 24 -1.628 -9.635 -5.920 1.00 0.00 C ATOM 329 OG SER A 24 -0.493 -10.251 -5.336 1.00 0.00 O ATOM 0 H SER A 24 -2.296 -7.994 -3.432 1.00 0.00 H new ATOM 0 HA SER A 24 -1.053 -7.567 -5.994 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.525 -10.194 -5.656 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.543 -9.664 -7.006 1.00 0.00 H new ATOM 0 HG SER A 24 0.231 -9.595 -5.257 1.00 0.00 H new ATOM 335 N GLY A 25 -3.257 -6.611 -6.543 1.00 0.00 N ATOM 336 CA GLY A 25 -4.547 -6.045 -6.893 1.00 0.00 C ATOM 337 C GLY A 25 -4.851 -4.776 -6.124 1.00 0.00 C ATOM 338 O GLY A 25 -3.939 -4.083 -5.670 1.00 0.00 O ATOM 0 H GLY A 25 -2.454 -6.129 -6.946 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.569 -5.832 -7.962 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.328 -6.780 -6.698 1.00 0.00 H new ATOM 342 N THR A 26 -6.136 -4.468 -5.976 1.00 0.00 N ATOM 343 CA THR A 26 -6.557 -3.273 -5.256 1.00 0.00 C ATOM 344 C THR A 26 -6.265 -3.405 -3.765 1.00 0.00 C ATOM 345 O THR A 26 -6.688 -4.366 -3.122 1.00 0.00 O ATOM 346 CB THR A 26 -8.050 -3.020 -5.474 1.00 0.00 C ATOM 347 OG1 THR A 26 -8.429 -3.370 -6.793 1.00 0.00 O ATOM 348 CG2 THR A 26 -8.452 -1.578 -5.249 1.00 0.00 C ATOM 0 H THR A 26 -6.903 -5.030 -6.345 1.00 0.00 H new ATOM 0 HA THR A 26 -5.991 -2.427 -5.645 1.00 0.00 H new ATOM 0 HB THR A 26 -8.559 -3.641 -4.737 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.387 -3.203 -6.913 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.523 -1.468 -5.420 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.217 -1.290 -4.224 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.906 -0.936 -5.940 1.00 0.00 H new ATOM 356 N ILE A 27 -5.541 -2.433 -3.221 1.00 0.00 N ATOM 357 CA ILE A 27 -5.194 -2.440 -1.805 1.00 0.00 C ATOM 358 C ILE A 27 -5.272 -1.037 -1.212 1.00 0.00 C ATOM 359 O ILE A 27 -5.217 -0.044 -1.935 1.00 0.00 O ATOM 360 CB ILE A 27 -3.778 -3.003 -1.577 1.00 0.00 C ATOM 361 CG1 ILE A 27 -2.761 -2.248 -2.436 1.00 0.00 C ATOM 362 CG2 ILE A 27 -3.742 -4.491 -1.889 1.00 0.00 C ATOM 363 CD1 ILE A 27 -1.350 -2.304 -1.892 1.00 0.00 C ATOM 0 H ILE A 27 -5.183 -1.631 -3.739 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.918 -3.083 -1.305 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.513 -2.866 -0.529 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.770 -2.663 -3.444 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.069 -1.206 -2.518 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.735 -4.873 -1.723 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.441 -5.016 -1.238 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.024 -4.651 -2.930 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.684 -1.748 -2.551 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.326 -1.862 -0.896 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.022 -3.342 -1.837 1.00 0.00 H new ATOM 375 N ALA A 28 -5.403 -0.965 0.109 1.00 0.00 N ATOM 376 CA ALA A 28 -5.489 0.316 0.799 1.00 0.00 C ATOM 377 C ALA A 28 -4.476 0.397 1.935 1.00 0.00 C ATOM 378 O ALA A 28 -4.103 -0.618 2.522 1.00 0.00 O ATOM 379 CB ALA A 28 -6.898 0.534 1.329 1.00 0.00 C ATOM 0 H ALA A 28 -5.452 -1.779 0.722 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.255 1.104 0.083 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.949 1.494 1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.604 0.528 0.499 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.152 -0.264 2.026 1.00 0.00 H new ATOM 385 N ILE A 29 -4.032 1.612 2.240 1.00 0.00 N ATOM 386 CA ILE A 29 -3.062 1.826 3.306 1.00 0.00 C ATOM 387 C ILE A 29 -3.685 2.588 4.471 1.00 0.00 C ATOM 388 O ILE A 29 -4.491 3.497 4.270 1.00 0.00 O ATOM 389 CB ILE A 29 -1.830 2.602 2.799 1.00 0.00 C ATOM 390 CG1 ILE A 29 -1.268 1.947 1.535 1.00 0.00 C ATOM 391 CG2 ILE A 29 -0.764 2.674 3.884 1.00 0.00 C ATOM 392 CD1 ILE A 29 -0.828 2.943 0.484 1.00 0.00 C ATOM 0 H ILE A 29 -4.329 2.463 1.763 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.745 0.840 3.647 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.138 3.618 2.551 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.420 1.319 1.807 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.026 1.291 1.108 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.099 3.225 3.510 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.169 3.183 4.758 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.458 1.665 4.161 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.441 2.409 -0.384 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.679 3.555 0.184 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.047 3.584 0.894 1.00 0.00 H new ATOM 404 N GLU A 30 -3.307 2.213 5.688 1.00 0.00 N ATOM 405 CA GLU A 30 -3.828 2.861 6.885 1.00 0.00 C ATOM 406 C GLU A 30 -2.703 3.194 7.859 1.00 0.00 C ATOM 407 O GLU A 30 -2.170 2.312 8.531 1.00 0.00 O ATOM 408 CB GLU A 30 -4.860 1.962 7.569 1.00 0.00 C ATOM 409 CG GLU A 30 -5.480 2.582 8.810 1.00 0.00 C ATOM 410 CD GLU A 30 -6.464 1.654 9.495 1.00 0.00 C ATOM 411 OE1 GLU A 30 -6.016 0.763 10.247 1.00 0.00 O ATOM 412 OE2 GLU A 30 -7.684 1.820 9.283 1.00 0.00 O ATOM 0 H GLU A 30 -2.641 1.463 5.871 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.309 3.791 6.583 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.651 1.725 6.858 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.384 1.020 7.843 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.690 2.850 9.511 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.989 3.506 8.535 1.00 0.00 H new ATOM 419 N MET A 31 -2.347 4.473 7.928 1.00 0.00 N ATOM 420 CA MET A 31 -1.284 4.922 8.820 1.00 0.00 C ATOM 421 C MET A 31 -1.767 4.960 10.266 1.00 0.00 C ATOM 422 O MET A 31 -1.227 4.269 11.131 1.00 0.00 O ATOM 423 CB MET A 31 -0.788 6.307 8.399 1.00 0.00 C ATOM 424 CG MET A 31 -0.329 6.375 6.952 1.00 0.00 C ATOM 425 SD MET A 31 -0.068 8.066 6.384 1.00 0.00 S ATOM 426 CE MET A 31 1.672 8.018 5.962 1.00 0.00 C ATOM 0 H MET A 31 -2.778 5.216 7.378 1.00 0.00 H new ATOM 0 HA MET A 31 -0.460 4.212 8.750 1.00 0.00 H new ATOM 0 HB2 MET A 31 -1.587 7.032 8.552 1.00 0.00 H new ATOM 0 HB3 MET A 31 0.037 6.601 9.047 1.00 0.00 H new ATOM 0 HG2 MET A 31 0.598 5.812 6.842 1.00 0.00 H new ATOM 0 HG3 MET A 31 -1.072 5.893 6.316 1.00 0.00 H new ATOM 0 HE1 MET A 31 2.060 9.035 5.903 1.00 0.00 H new ATOM 0 HE2 MET A 31 2.217 7.465 6.727 1.00 0.00 H new ATOM 0 HE3 MET A 31 1.799 7.525 4.998 1.00 0.00 H new ATOM 436 N ASP A 32 -2.786 5.773 10.523 1.00 0.00 N ATOM 437 CA ASP A 32 -3.343 5.902 11.865 1.00 0.00 C ATOM 438 C ASP A 32 -4.480 4.909 12.081 1.00 0.00 C ATOM 439 O ASP A 32 -5.023 4.354 11.125 1.00 0.00 O ATOM 440 CB ASP A 32 -3.844 7.328 12.098 1.00 0.00 C ATOM 441 CG ASP A 32 -2.760 8.243 12.631 1.00 0.00 C ATOM 442 OD1 ASP A 32 -1.929 8.711 11.824 1.00 0.00 O ATOM 443 OD2 ASP A 32 -2.740 8.491 13.854 1.00 0.00 O ATOM 0 H ASP A 32 -3.243 6.353 9.819 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.552 5.681 12.581 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.229 7.732 11.162 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.676 7.307 12.802 1.00 0.00 H new ATOM 448 N LYS A 33 -4.837 4.688 13.342 1.00 0.00 N ATOM 449 CA LYS A 33 -5.911 3.763 13.682 1.00 0.00 C ATOM 450 C LYS A 33 -7.272 4.360 13.342 1.00 0.00 C ATOM 451 O LYS A 33 -7.955 4.909 14.207 1.00 0.00 O ATOM 452 CB LYS A 33 -5.854 3.407 15.170 1.00 0.00 C ATOM 453 CG LYS A 33 -4.476 2.969 15.639 1.00 0.00 C ATOM 454 CD LYS A 33 -4.558 1.789 16.595 1.00 0.00 C ATOM 455 CE LYS A 33 -3.765 2.044 17.867 1.00 0.00 C ATOM 456 NZ LYS A 33 -3.676 0.826 18.720 1.00 0.00 N ATOM 0 H LYS A 33 -4.398 5.137 14.145 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.775 2.856 13.093 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.170 4.272 15.754 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.568 2.608 15.371 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.867 2.698 14.777 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.977 3.803 16.132 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.601 1.596 16.848 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.179 0.894 16.102 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.761 2.380 17.608 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.234 2.849 18.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.128 1.042 19.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.633 0.520 18.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.205 0.065 18.190 1.00 0.00 H new ATOM 470 N GLY A 34 -7.662 4.248 12.075 1.00 0.00 N ATOM 471 CA GLY A 34 -8.940 4.781 11.643 1.00 0.00 C ATOM 472 C GLY A 34 -8.798 5.789 10.520 1.00 0.00 C ATOM 473 O GLY A 34 -9.695 5.934 9.690 1.00 0.00 O ATOM 0 H GLY A 34 -7.115 3.798 11.341 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.579 3.962 11.313 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.438 5.253 12.490 1.00 0.00 H new ATOM 477 N ALA A 35 -7.668 6.488 10.494 1.00 0.00 N ATOM 478 CA ALA A 35 -7.411 7.487 9.465 1.00 0.00 C ATOM 479 C ALA A 35 -6.727 6.864 8.253 1.00 0.00 C ATOM 480 O ALA A 35 -6.045 5.846 8.368 1.00 0.00 O ATOM 481 CB ALA A 35 -6.563 8.617 10.029 1.00 0.00 C ATOM 0 H ALA A 35 -6.916 6.380 11.174 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.369 7.893 9.139 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.378 9.357 9.250 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.090 9.088 10.859 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.613 8.217 10.383 1.00 0.00 H new ATOM 487 N TYR A 36 -6.915 7.482 7.092 1.00 0.00 N ATOM 488 CA TYR A 36 -6.316 6.988 5.857 1.00 0.00 C ATOM 489 C TYR A 36 -5.735 8.136 5.038 1.00 0.00 C ATOM 490 O TYR A 36 -6.097 9.296 5.232 1.00 0.00 O ATOM 491 CB TYR A 36 -7.355 6.230 5.029 1.00 0.00 C ATOM 492 CG TYR A 36 -8.022 5.099 5.781 1.00 0.00 C ATOM 493 CD1 TYR A 36 -9.172 5.319 6.529 1.00 0.00 C ATOM 494 CD2 TYR A 36 -7.500 3.812 5.742 1.00 0.00 C ATOM 495 CE1 TYR A 36 -9.783 4.288 7.217 1.00 0.00 C ATOM 496 CE2 TYR A 36 -8.106 2.776 6.428 1.00 0.00 C ATOM 497 CZ TYR A 36 -9.247 3.020 7.163 1.00 0.00 C ATOM 498 OH TYR A 36 -9.853 1.991 7.847 1.00 0.00 O ATOM 0 H TYR A 36 -7.477 8.326 6.980 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.506 6.308 6.122 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.119 6.930 4.691 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -6.874 5.828 4.137 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.595 6.312 6.573 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.607 3.618 5.167 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -10.676 4.475 7.794 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -7.688 1.781 6.389 1.00 0.00 H new ATOM 0 HH TYR A 36 -9.343 1.794 8.661 1.00 0.00 H new ATOM 508 N ILE A 37 -4.831 7.804 4.121 1.00 0.00 N ATOM 509 CA ILE A 37 -4.201 8.807 3.272 1.00 0.00 C ATOM 510 C ILE A 37 -5.171 9.317 2.212 1.00 0.00 C ATOM 511 O ILE A 37 -5.496 8.607 1.261 1.00 0.00 O ATOM 512 CB ILE A 37 -2.944 8.247 2.576 1.00 0.00 C ATOM 513 CG1 ILE A 37 -2.015 7.589 3.599 1.00 0.00 C ATOM 514 CG2 ILE A 37 -2.216 9.351 1.826 1.00 0.00 C ATOM 515 CD1 ILE A 37 -1.376 6.311 3.101 1.00 0.00 C ATOM 0 H ILE A 37 -4.519 6.848 3.948 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.909 9.632 3.921 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.255 7.490 1.856 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.231 8.295 3.873 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.581 7.374 4.506 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.331 8.939 1.341 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.878 9.777 1.072 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.916 10.130 2.527 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.731 5.900 3.878 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.153 5.588 2.854 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.783 6.523 2.212 1.00 0.00 H new ATOM 527 N HIS A 38 -5.631 10.552 2.384 1.00 0.00 N ATOM 528 CA HIS A 38 -6.565 11.158 1.442 1.00 0.00 C ATOM 529 C HIS A 38 -5.819 11.844 0.301 1.00 0.00 C ATOM 530 O HIS A 38 -4.668 12.249 0.454 1.00 0.00 O ATOM 531 CB HIS A 38 -7.462 12.168 2.160 1.00 0.00 C ATOM 532 CG HIS A 38 -8.676 12.555 1.373 1.00 0.00 C ATOM 533 ND1 HIS A 38 -9.323 11.714 0.497 1.00 0.00 N ATOM 534 CD2 HIS A 38 -9.362 13.727 1.345 1.00 0.00 C ATOM 535 CE1 HIS A 38 -10.360 12.385 -0.027 1.00 0.00 C ATOM 536 NE2 HIS A 38 -10.427 13.611 0.456 1.00 0.00 N ATOM 0 H HIS A 38 -5.372 11.153 3.167 1.00 0.00 H new ATOM 0 HA HIS A 38 -7.185 10.366 1.022 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -7.777 11.748 3.115 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -6.882 13.064 2.382 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -9.120 14.608 1.921 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -11.050 11.975 -0.750 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -11.117 14.326 0.226 1.00 0.00 H new ATOM 544 N ALA A 39 -6.485 11.970 -0.842 1.00 0.00 N ATOM 545 CA ALA A 39 -5.887 12.608 -2.008 1.00 0.00 C ATOM 546 C ALA A 39 -6.548 13.950 -2.300 1.00 0.00 C ATOM 547 O ALA A 39 -7.699 14.180 -1.926 1.00 0.00 O ATOM 548 CB ALA A 39 -5.987 11.692 -3.219 1.00 0.00 C ATOM 0 H ALA A 39 -7.439 11.639 -0.985 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.835 12.792 -1.791 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.537 12.181 -4.083 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.461 10.760 -3.014 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.035 11.479 -3.428 1.00 0.00 H new ATOM 554 N LEU A 40 -5.815 14.832 -2.972 1.00 0.00 N ATOM 555 CA LEU A 40 -6.333 16.152 -3.315 1.00 0.00 C ATOM 556 C LEU A 40 -6.107 16.459 -4.791 1.00 0.00 C ATOM 557 O LEU A 40 -5.007 16.276 -5.313 1.00 0.00 O ATOM 558 CB LEU A 40 -5.664 17.223 -2.451 1.00 0.00 C ATOM 559 CG LEU A 40 -5.796 17.014 -0.942 1.00 0.00 C ATOM 560 CD1 LEU A 40 -5.077 18.119 -0.185 1.00 0.00 C ATOM 561 CD2 LEU A 40 -7.262 16.956 -0.539 1.00 0.00 C ATOM 0 H LEU A 40 -4.862 14.657 -3.290 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.406 16.156 -3.123 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.605 17.264 -2.705 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.091 18.193 -2.707 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.330 16.063 -0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.182 17.953 0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.020 18.114 -0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.513 19.083 -0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.338 16.807 0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.751 17.891 -0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.749 16.128 -1.055 1.00 0.00 H new ATOM 573 N ASP A 41 -7.157 16.926 -5.460 1.00 0.00 N ATOM 574 CA ASP A 41 -7.073 17.259 -6.877 1.00 0.00 C ATOM 575 C ASP A 41 -6.029 18.344 -7.123 1.00 0.00 C ATOM 576 O ASP A 41 -5.408 18.392 -8.184 1.00 0.00 O ATOM 577 CB ASP A 41 -8.437 17.721 -7.394 1.00 0.00 C ATOM 578 CG ASP A 41 -9.054 18.794 -6.518 1.00 0.00 C ATOM 579 OD1 ASP A 41 -8.558 19.939 -6.544 1.00 0.00 O ATOM 580 OD2 ASP A 41 -10.033 18.486 -5.806 1.00 0.00 O ATOM 0 H ASP A 41 -8.075 17.082 -5.044 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.770 16.362 -7.417 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.327 18.103 -8.409 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -9.111 16.866 -7.446 1.00 0.00 H new ATOM 585 N ASN A 42 -5.841 19.213 -6.135 1.00 0.00 N ATOM 586 CA ASN A 42 -4.872 20.297 -6.243 1.00 0.00 C ATOM 587 C ASN A 42 -3.471 19.755 -6.513 1.00 0.00 C ATOM 588 O ASN A 42 -2.643 20.426 -7.129 1.00 0.00 O ATOM 589 CB ASN A 42 -4.868 21.135 -4.963 1.00 0.00 C ATOM 590 CG ASN A 42 -4.429 22.564 -5.208 1.00 0.00 C ATOM 591 OD1 ASN A 42 -5.137 23.343 -5.849 1.00 0.00 O ATOM 592 ND2 ASN A 42 -3.256 22.919 -4.698 1.00 0.00 N ATOM 0 H ASN A 42 -6.347 19.187 -5.250 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.165 20.927 -7.083 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.868 21.135 -4.529 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.203 20.674 -4.233 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.909 23.869 -4.830 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.702 22.242 -4.174 1.00 0.00 H new ATOM 599 N GLY A 43 -3.213 18.536 -6.047 1.00 0.00 N ATOM 600 CA GLY A 43 -1.911 17.925 -6.248 1.00 0.00 C ATOM 601 C GLY A 43 -1.193 17.649 -4.942 1.00 0.00 C ATOM 602 O GLY A 43 0.035 17.720 -4.874 1.00 0.00 O ATOM 0 H GLY A 43 -3.882 17.961 -5.534 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.032 16.991 -6.797 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.297 18.580 -6.865 1.00 0.00 H new ATOM 606 N LEU A 44 -1.958 17.334 -3.902 1.00 0.00 N ATOM 607 CA LEU A 44 -1.387 17.045 -2.592 1.00 0.00 C ATOM 608 C LEU A 44 -2.140 15.908 -1.910 1.00 0.00 C ATOM 609 O LEU A 44 -3.226 15.523 -2.342 1.00 0.00 O ATOM 610 CB LEU A 44 -1.422 18.296 -1.712 1.00 0.00 C ATOM 611 CG LEU A 44 -0.591 19.473 -2.224 1.00 0.00 C ATOM 612 CD1 LEU A 44 -1.277 20.792 -1.901 1.00 0.00 C ATOM 613 CD2 LEU A 44 0.807 19.438 -1.625 1.00 0.00 C ATOM 0 H LEU A 44 -2.975 17.272 -3.941 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.351 16.737 -2.733 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.458 18.620 -1.609 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.071 18.030 -0.715 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.504 19.388 -3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.671 21.618 -2.273 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.257 20.818 -2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.395 20.886 -0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.385 20.283 -2.000 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.739 19.499 -0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.300 18.508 -1.906 1.00 0.00 H new ATOM 625 N PHE A 45 -1.556 15.373 -0.843 1.00 0.00 N ATOM 626 CA PHE A 45 -2.171 14.280 -0.101 1.00 0.00 C ATOM 627 C PHE A 45 -2.209 14.589 1.392 1.00 0.00 C ATOM 628 O PHE A 45 -1.176 14.843 2.010 1.00 0.00 O ATOM 629 CB PHE A 45 -1.407 12.976 -0.345 1.00 0.00 C ATOM 630 CG PHE A 45 -1.733 12.327 -1.660 1.00 0.00 C ATOM 631 CD1 PHE A 45 -1.421 12.955 -2.854 1.00 0.00 C ATOM 632 CD2 PHE A 45 -2.353 11.088 -1.700 1.00 0.00 C ATOM 633 CE1 PHE A 45 -1.720 12.360 -4.066 1.00 0.00 C ATOM 634 CE2 PHE A 45 -2.654 10.488 -2.908 1.00 0.00 C ATOM 635 CZ PHE A 45 -2.337 11.125 -4.092 1.00 0.00 C ATOM 0 H PHE A 45 -0.656 15.680 -0.473 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.195 14.165 -0.456 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -0.337 13.178 -0.304 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.630 12.277 0.461 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.938 13.921 -2.839 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.604 10.586 -0.777 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.471 12.860 -4.990 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.137 9.522 -2.926 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.571 10.658 -5.037 1.00 0.00 H new ATOM 645 N THR A 46 -3.408 14.564 1.966 1.00 0.00 N ATOM 646 CA THR A 46 -3.581 14.842 3.387 1.00 0.00 C ATOM 647 C THR A 46 -4.115 13.617 4.121 1.00 0.00 C ATOM 648 O THR A 46 -4.485 12.621 3.499 1.00 0.00 O ATOM 649 CB THR A 46 -4.531 16.024 3.585 1.00 0.00 C ATOM 650 OG1 THR A 46 -4.848 16.188 4.956 1.00 0.00 O ATOM 651 CG2 THR A 46 -5.833 15.879 2.827 1.00 0.00 C ATOM 0 H THR A 46 -4.274 14.354 1.469 1.00 0.00 H new ATOM 0 HA THR A 46 -2.606 15.095 3.803 1.00 0.00 H new ATOM 0 HB THR A 46 -3.998 16.892 3.196 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.455 16.950 5.063 1.00 0.00 H new ATOM 0 HG21 THR A 46 -6.460 16.751 3.011 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.626 15.800 1.760 1.00 0.00 H new ATOM 0 HG23 THR A 46 -6.352 14.981 3.163 1.00 0.00 H new ATOM 659 N LEU A 47 -4.151 13.697 5.447 1.00 0.00 N ATOM 660 CA LEU A 47 -4.640 12.594 6.267 1.00 0.00 C ATOM 661 C LEU A 47 -6.144 12.706 6.489 1.00 0.00 C ATOM 662 O LEU A 47 -6.613 13.607 7.186 1.00 0.00 O ATOM 663 CB LEU A 47 -3.912 12.571 7.612 1.00 0.00 C ATOM 664 CG LEU A 47 -4.385 11.489 8.586 1.00 0.00 C ATOM 665 CD1 LEU A 47 -3.817 10.134 8.194 1.00 0.00 C ATOM 666 CD2 LEU A 47 -3.988 11.846 10.010 1.00 0.00 C ATOM 0 H LEU A 47 -3.847 14.514 5.977 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.439 11.663 5.738 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.846 12.433 7.429 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.030 13.544 8.089 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.472 11.431 8.537 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.164 9.377 8.897 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.152 9.876 7.189 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.728 10.176 8.214 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.332 11.066 10.690 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.903 11.931 10.075 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.444 12.796 10.287 1.00 0.00 H new ATOM 678 N GLY A 48 -6.895 11.786 5.894 1.00 0.00 N ATOM 679 CA GLY A 48 -8.339 11.800 6.040 1.00 0.00 C ATOM 680 C GLY A 48 -8.779 11.548 7.469 1.00 0.00 C ATOM 681 O GLY A 48 -8.232 10.681 8.150 1.00 0.00 O ATOM 0 H GLY A 48 -6.530 11.031 5.313 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.725 12.764 5.709 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.774 11.041 5.390 1.00 0.00 H new ATOM 685 N ALA A 49 -9.770 12.309 7.924 1.00 0.00 N ATOM 686 CA ALA A 49 -10.283 12.164 9.281 1.00 0.00 C ATOM 687 C ALA A 49 -10.839 10.761 9.511 1.00 0.00 C ATOM 688 O ALA A 49 -11.320 10.115 8.580 1.00 0.00 O ATOM 689 CB ALA A 49 -11.353 13.210 9.553 1.00 0.00 C ATOM 0 H ALA A 49 -10.233 13.032 7.373 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.456 12.316 9.975 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -11.728 13.091 10.570 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.926 14.206 9.438 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -12.173 13.084 8.847 1.00 0.00 H new ATOM 695 N PRO A 50 -10.782 10.270 10.761 1.00 0.00 N ATOM 696 CA PRO A 50 -11.283 8.937 11.110 1.00 0.00 C ATOM 697 C PRO A 50 -12.800 8.842 11.000 1.00 0.00 C ATOM 698 O PRO A 50 -13.521 9.749 11.418 1.00 0.00 O ATOM 699 CB PRO A 50 -10.840 8.757 12.564 1.00 0.00 C ATOM 700 CG PRO A 50 -10.688 10.141 13.091 1.00 0.00 C ATOM 701 CD PRO A 50 -10.224 10.975 11.929 1.00 0.00 C ATOM 0 HA PRO A 50 -10.900 8.170 10.437 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.579 8.195 13.136 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.902 8.205 12.626 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -11.632 10.514 13.487 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.966 10.171 13.907 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.594 11.998 11.995 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.136 11.031 11.883 1.00 0.00 H new ATOM 709 N HIS A 51 -13.280 7.739 10.436 1.00 0.00 N ATOM 710 CA HIS A 51 -14.714 7.525 10.272 1.00 0.00 C ATOM 711 C HIS A 51 -15.420 7.520 11.623 1.00 0.00 C ATOM 712 O HIS A 51 -14.782 7.383 12.668 1.00 0.00 O ATOM 713 CB HIS A 51 -14.973 6.206 9.541 1.00 0.00 C ATOM 714 CG HIS A 51 -14.553 6.225 8.104 1.00 0.00 C ATOM 715 ND1 HIS A 51 -15.415 5.853 7.101 1.00 0.00 N ATOM 716 CD2 HIS A 51 -13.364 6.576 7.559 1.00 0.00 C ATOM 717 CE1 HIS A 51 -14.737 5.984 5.975 1.00 0.00 C ATOM 718 NE2 HIS A 51 -13.489 6.419 6.202 1.00 0.00 N ATOM 0 H HIS A 51 -12.697 6.979 10.085 1.00 0.00 H new ATOM 0 HA HIS A 51 -15.114 8.346 9.677 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -14.442 5.405 10.055 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -16.036 5.972 9.597 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -12.487 6.914 8.090 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -15.137 5.768 4.995 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -12.771 6.599 5.500 1.00 0.00 H new ATOM 726 N ARG A 52 -16.740 7.669 11.596 1.00 0.00 N ATOM 727 CA ARG A 52 -17.533 7.682 12.819 1.00 0.00 C ATOM 728 C ARG A 52 -17.749 6.265 13.343 1.00 0.00 C ATOM 729 O ARG A 52 -17.797 6.039 14.552 1.00 0.00 O ATOM 730 CB ARG A 52 -18.883 8.357 12.571 1.00 0.00 C ATOM 731 CG ARG A 52 -19.742 7.639 11.542 1.00 0.00 C ATOM 732 CD ARG A 52 -20.672 8.603 10.824 1.00 0.00 C ATOM 733 NE ARG A 52 -19.954 9.749 10.270 1.00 0.00 N ATOM 734 CZ ARG A 52 -20.540 10.886 9.905 1.00 0.00 C ATOM 735 NH1 ARG A 52 -21.852 11.036 10.035 1.00 0.00 N ATOM 736 NH2 ARG A 52 -19.813 11.878 9.410 1.00 0.00 N ATOM 0 H ARG A 52 -17.283 7.782 10.740 1.00 0.00 H new ATOM 0 HA ARG A 52 -16.984 8.249 13.571 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -19.430 8.414 13.512 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -18.712 9.381 12.239 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -19.101 7.141 10.815 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -20.329 6.863 12.034 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -21.189 8.077 10.021 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -21.435 8.955 11.518 1.00 0.00 H new ATOM 0 HE ARG A 52 -18.943 9.672 10.156 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -22.417 10.277 10.417 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -22.296 11.910 9.753 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -18.804 11.770 9.309 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -20.263 12.750 9.130 1.00 0.00 H new ATOM 750 N GLU A 53 -17.877 5.313 12.424 1.00 0.00 N ATOM 751 CA GLU A 53 -18.087 3.918 12.793 1.00 0.00 C ATOM 752 C GLU A 53 -16.757 3.183 12.918 1.00 0.00 C ATOM 753 O GLU A 53 -15.732 3.641 12.411 1.00 0.00 O ATOM 754 CB GLU A 53 -18.975 3.224 11.756 1.00 0.00 C ATOM 755 CG GLU A 53 -20.403 3.005 12.229 1.00 0.00 C ATOM 756 CD GLU A 53 -20.600 1.650 12.880 1.00 0.00 C ATOM 757 OE1 GLU A 53 -19.960 0.676 12.431 1.00 0.00 O ATOM 758 OE2 GLU A 53 -21.396 1.562 13.839 1.00 0.00 O ATOM 0 H GLU A 53 -17.839 5.482 11.419 1.00 0.00 H new ATOM 0 HA GLU A 53 -18.586 3.893 13.762 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -18.990 3.822 10.844 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -18.534 2.261 11.498 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -20.671 3.787 12.939 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -21.081 3.099 11.381 1.00 0.00 H new ATOM 765 N VAL A 54 -16.780 2.041 13.598 1.00 0.00 N ATOM 766 CA VAL A 54 -15.575 1.242 13.790 1.00 0.00 C ATOM 767 C VAL A 54 -15.276 0.394 12.559 1.00 0.00 C ATOM 768 O VAL A 54 -14.266 0.596 11.884 1.00 0.00 O ATOM 769 CB VAL A 54 -15.704 0.318 15.015 1.00 0.00 C ATOM 770 CG1 VAL A 54 -14.375 -0.357 15.319 1.00 0.00 C ATOM 771 CG2 VAL A 54 -16.203 1.097 16.222 1.00 0.00 C ATOM 0 H VAL A 54 -17.619 1.648 14.025 1.00 0.00 H new ATOM 0 HA VAL A 54 -14.755 1.941 13.955 1.00 0.00 H new ATOM 0 HB VAL A 54 -16.434 -0.458 14.785 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -14.487 -1.006 16.188 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -14.064 -0.951 14.460 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -13.621 0.402 15.527 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -16.288 0.427 17.078 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.500 1.896 16.455 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -17.180 1.527 15.999 1.00 0.00 H new ATOM 781 N ASP A 55 -16.160 -0.555 12.270 1.00 0.00 N ATOM 782 CA ASP A 55 -15.991 -1.434 11.118 1.00 0.00 C ATOM 783 C ASP A 55 -16.426 -0.737 9.833 1.00 0.00 C ATOM 784 O ASP A 55 -17.584 -0.832 9.426 1.00 0.00 O ATOM 785 CB ASP A 55 -16.792 -2.722 11.312 1.00 0.00 C ATOM 786 CG ASP A 55 -16.277 -3.858 10.449 1.00 0.00 C ATOM 787 OD1 ASP A 55 -15.247 -4.461 10.816 1.00 0.00 O ATOM 788 OD2 ASP A 55 -16.904 -4.144 9.407 1.00 0.00 O ATOM 0 H ASP A 55 -17.001 -0.735 12.818 1.00 0.00 H new ATOM 0 HA ASP A 55 -14.933 -1.682 11.033 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -16.751 -3.018 12.360 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -17.839 -2.535 11.075 1.00 0.00 H new ATOM 793 N GLU A 56 -15.492 -0.037 9.200 1.00 0.00 N ATOM 794 CA GLU A 56 -15.779 0.676 7.960 1.00 0.00 C ATOM 795 C GLU A 56 -14.626 0.531 6.970 1.00 0.00 C ATOM 796 O GLU A 56 -13.507 0.191 7.352 1.00 0.00 O ATOM 797 CB GLU A 56 -16.040 2.157 8.248 1.00 0.00 C ATOM 798 CG GLU A 56 -17.514 2.525 8.243 1.00 0.00 C ATOM 799 CD GLU A 56 -17.979 3.048 6.897 1.00 0.00 C ATOM 800 OE1 GLU A 56 -17.407 2.632 5.868 1.00 0.00 O ATOM 801 OE2 GLU A 56 -18.917 3.873 6.873 1.00 0.00 O ATOM 0 H GLU A 56 -14.529 0.052 9.525 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.672 0.238 7.515 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.614 2.411 9.219 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.520 2.761 7.504 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -18.104 1.649 8.512 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.699 3.281 9.006 1.00 0.00 H new ATOM 808 N GLY A 57 -14.911 0.789 5.698 1.00 0.00 N ATOM 809 CA GLY A 57 -13.889 0.681 4.673 1.00 0.00 C ATOM 810 C GLY A 57 -13.447 2.035 4.150 1.00 0.00 C ATOM 811 O GLY A 57 -14.084 3.050 4.433 1.00 0.00 O ATOM 0 H GLY A 57 -15.831 1.071 5.359 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.026 0.152 5.079 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.270 0.082 3.846 1.00 0.00 H new ATOM 815 N PRO A 58 -12.348 2.084 3.375 1.00 0.00 N ATOM 816 CA PRO A 58 -11.832 3.336 2.816 1.00 0.00 C ATOM 817 C PRO A 58 -12.752 3.917 1.748 1.00 0.00 C ATOM 818 O PRO A 58 -13.704 3.267 1.314 1.00 0.00 O ATOM 819 CB PRO A 58 -10.491 2.927 2.200 1.00 0.00 C ATOM 820 CG PRO A 58 -10.636 1.473 1.909 1.00 0.00 C ATOM 821 CD PRO A 58 -11.527 0.923 2.987 1.00 0.00 C ATOM 0 HA PRO A 58 -11.748 4.115 3.574 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.283 3.494 1.292 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.666 3.113 2.888 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.072 1.314 0.923 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.666 0.976 1.913 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -12.141 0.101 2.620 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.950 0.539 3.828 1.00 0.00 H new ATOM 829 N SER A 59 -12.463 5.144 1.329 1.00 0.00 N ATOM 830 CA SER A 59 -13.264 5.814 0.310 1.00 0.00 C ATOM 831 C SER A 59 -12.649 5.629 -1.075 1.00 0.00 C ATOM 832 O SER A 59 -11.511 5.178 -1.202 1.00 0.00 O ATOM 833 CB SER A 59 -13.390 7.304 0.633 1.00 0.00 C ATOM 834 OG SER A 59 -13.414 7.524 2.033 1.00 0.00 O ATOM 0 H SER A 59 -11.680 5.696 1.679 1.00 0.00 H new ATOM 0 HA SER A 59 -14.257 5.364 0.307 1.00 0.00 H new ATOM 0 HB2 SER A 59 -12.554 7.847 0.191 1.00 0.00 H new ATOM 0 HB3 SER A 59 -14.301 7.701 0.184 1.00 0.00 H new ATOM 0 HG SER A 59 -13.493 8.484 2.212 1.00 0.00 H new ATOM 840 N PRO A 60 -13.396 5.981 -2.137 1.00 0.00 N ATOM 841 CA PRO A 60 -12.918 5.852 -3.516 1.00 0.00 C ATOM 842 C PRO A 60 -11.558 6.518 -3.734 1.00 0.00 C ATOM 843 O PRO A 60 -10.653 5.912 -4.307 1.00 0.00 O ATOM 844 CB PRO A 60 -13.998 6.554 -4.341 1.00 0.00 C ATOM 845 CG PRO A 60 -15.228 6.472 -3.503 1.00 0.00 C ATOM 846 CD PRO A 60 -14.763 6.530 -2.075 1.00 0.00 C ATOM 0 HA PRO A 60 -12.766 4.808 -3.792 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.728 7.590 -4.547 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -14.142 6.064 -5.304 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -15.907 7.295 -3.726 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -15.772 5.548 -3.699 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -14.769 7.550 -1.692 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -15.404 5.940 -1.420 1.00 0.00 H new ATOM 854 N PRO A 61 -11.388 7.776 -3.283 1.00 0.00 N ATOM 855 CA PRO A 61 -10.123 8.501 -3.444 1.00 0.00 C ATOM 856 C PRO A 61 -9.016 7.946 -2.552 1.00 0.00 C ATOM 857 O PRO A 61 -7.833 8.177 -2.800 1.00 0.00 O ATOM 858 CB PRO A 61 -10.476 9.932 -3.034 1.00 0.00 C ATOM 859 CG PRO A 61 -11.628 9.787 -2.103 1.00 0.00 C ATOM 860 CD PRO A 61 -12.405 8.591 -2.584 1.00 0.00 C ATOM 0 HA PRO A 61 -9.735 8.419 -4.459 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.633 10.423 -2.547 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.741 10.538 -3.900 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -11.285 9.643 -1.078 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.249 10.683 -2.108 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.856 8.045 -1.755 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.215 8.881 -3.253 1.00 0.00 H new ATOM 868 N GLU A 62 -9.406 7.215 -1.512 1.00 0.00 N ATOM 869 CA GLU A 62 -8.443 6.629 -0.587 1.00 0.00 C ATOM 870 C GLU A 62 -7.952 5.277 -1.093 1.00 0.00 C ATOM 871 O GLU A 62 -6.824 4.872 -0.815 1.00 0.00 O ATOM 872 CB GLU A 62 -9.070 6.470 0.800 1.00 0.00 C ATOM 873 CG GLU A 62 -8.862 7.675 1.704 1.00 0.00 C ATOM 874 CD GLU A 62 -9.996 7.865 2.691 1.00 0.00 C ATOM 875 OE1 GLU A 62 -10.350 6.889 3.384 1.00 0.00 O ATOM 876 OE2 GLU A 62 -10.531 8.992 2.770 1.00 0.00 O ATOM 0 H GLU A 62 -10.381 7.015 -1.289 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.588 7.302 -0.519 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.139 6.291 0.688 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.648 5.588 1.281 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.926 7.558 2.250 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.764 8.571 1.092 1.00 0.00 H new ATOM 883 N GLN A 63 -8.807 4.582 -1.838 1.00 0.00 N ATOM 884 CA GLN A 63 -8.458 3.274 -2.383 1.00 0.00 C ATOM 885 C GLN A 63 -7.223 3.365 -3.273 1.00 0.00 C ATOM 886 O GLN A 63 -7.012 4.365 -3.959 1.00 0.00 O ATOM 887 CB GLN A 63 -9.632 2.700 -3.178 1.00 0.00 C ATOM 888 CG GLN A 63 -10.955 2.745 -2.430 1.00 0.00 C ATOM 889 CD GLN A 63 -11.777 1.486 -2.624 1.00 0.00 C ATOM 890 OE1 GLN A 63 -11.371 0.569 -3.338 1.00 0.00 O ATOM 891 NE2 GLN A 63 -12.941 1.436 -1.987 1.00 0.00 N ATOM 0 H GLN A 63 -9.745 4.902 -2.078 1.00 0.00 H new ATOM 0 HA GLN A 63 -8.233 2.610 -1.548 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.733 3.254 -4.111 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.409 1.666 -3.443 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -10.762 2.889 -1.367 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -11.531 3.606 -2.769 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -13.238 2.219 -1.405 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -13.538 0.614 -2.079 1.00 0.00 H new ATOM 900 N PHE A 64 -6.409 2.315 -3.256 1.00 0.00 N ATOM 901 CA PHE A 64 -5.195 2.275 -4.061 1.00 0.00 C ATOM 902 C PHE A 64 -5.075 0.944 -4.798 1.00 0.00 C ATOM 903 O PHE A 64 -5.698 -0.046 -4.418 1.00 0.00 O ATOM 904 CB PHE A 64 -3.965 2.495 -3.178 1.00 0.00 C ATOM 905 CG PHE A 64 -4.015 3.769 -2.387 1.00 0.00 C ATOM 906 CD1 PHE A 64 -3.992 4.999 -3.025 1.00 0.00 C ATOM 907 CD2 PHE A 64 -4.087 3.738 -1.002 1.00 0.00 C ATOM 908 CE1 PHE A 64 -4.038 6.174 -2.300 1.00 0.00 C ATOM 909 CE2 PHE A 64 -4.133 4.911 -0.271 1.00 0.00 C ATOM 910 CZ PHE A 64 -4.110 6.130 -0.920 1.00 0.00 C ATOM 0 H PHE A 64 -6.569 1.480 -2.693 1.00 0.00 H new ATOM 0 HA PHE A 64 -5.251 3.075 -4.799 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.866 1.654 -2.491 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.074 2.501 -3.805 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.937 5.039 -4.103 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -4.107 2.788 -0.489 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.018 7.126 -2.810 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.187 4.874 0.807 1.00 0.00 H new ATOM 0 HZ PHE A 64 -4.148 7.047 -0.351 1.00 0.00 H new ATOM 920 N THR A 65 -4.269 0.930 -5.855 1.00 0.00 N ATOM 921 CA THR A 65 -4.066 -0.278 -6.646 1.00 0.00 C ATOM 922 C THR A 65 -2.595 -0.677 -6.663 1.00 0.00 C ATOM 923 O THR A 65 -1.721 0.147 -6.932 1.00 0.00 O ATOM 924 CB THR A 65 -4.565 -0.065 -8.076 1.00 0.00 C ATOM 925 OG1 THR A 65 -5.746 0.718 -8.083 1.00 0.00 O ATOM 926 CG2 THR A 65 -4.868 -1.357 -8.803 1.00 0.00 C ATOM 0 H THR A 65 -3.746 1.742 -6.183 1.00 0.00 H new ATOM 0 HA THR A 65 -4.637 -1.084 -6.185 1.00 0.00 H new ATOM 0 HB THR A 65 -3.751 0.442 -8.593 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.049 0.845 -9.006 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.217 -1.134 -9.811 1.00 0.00 H new ATOM 0 HG22 THR A 65 -3.964 -1.964 -8.858 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.641 -1.905 -8.264 1.00 0.00 H new ATOM 934 N ALA A 66 -2.328 -1.947 -6.375 1.00 0.00 N ATOM 935 CA ALA A 66 -0.961 -2.455 -6.358 1.00 0.00 C ATOM 936 C ALA A 66 -0.568 -3.013 -7.722 1.00 0.00 C ATOM 937 O ALA A 66 -1.384 -3.622 -8.413 1.00 0.00 O ATOM 938 CB ALA A 66 -0.810 -3.523 -5.286 1.00 0.00 C ATOM 0 H ALA A 66 -3.040 -2.642 -6.150 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.292 -1.626 -6.126 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.215 -3.894 -5.284 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.043 -3.095 -4.311 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -1.493 -4.346 -5.494 1.00 0.00 H new ATOM 944 N VAL A 67 0.686 -2.797 -8.105 1.00 0.00 N ATOM 945 CA VAL A 67 1.185 -3.277 -9.388 1.00 0.00 C ATOM 946 C VAL A 67 2.585 -3.864 -9.250 1.00 0.00 C ATOM 947 O VAL A 67 3.542 -3.150 -8.949 1.00 0.00 O ATOM 948 CB VAL A 67 1.215 -2.149 -10.436 1.00 0.00 C ATOM 949 CG1 VAL A 67 1.542 -2.705 -11.814 1.00 0.00 C ATOM 950 CG2 VAL A 67 -0.111 -1.402 -10.455 1.00 0.00 C ATOM 0 H VAL A 67 1.374 -2.293 -7.546 1.00 0.00 H new ATOM 0 HA VAL A 67 0.499 -4.056 -9.722 1.00 0.00 H new ATOM 0 HB VAL A 67 1.999 -1.444 -10.160 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.558 -1.892 -12.540 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.518 -3.189 -11.789 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.784 -3.433 -12.102 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.071 -0.609 -11.201 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.915 -2.094 -10.704 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.298 -0.967 -9.473 1.00 0.00 H new ATOM 960 N LYS A 68 2.698 -5.170 -9.473 1.00 0.00 N ATOM 961 CA LYS A 68 3.981 -5.855 -9.376 1.00 0.00 C ATOM 962 C LYS A 68 4.926 -5.397 -10.483 1.00 0.00 C ATOM 963 O LYS A 68 4.531 -5.292 -11.643 1.00 0.00 O ATOM 964 CB LYS A 68 3.781 -7.369 -9.456 1.00 0.00 C ATOM 965 CG LYS A 68 3.625 -8.035 -8.098 1.00 0.00 C ATOM 966 CD LYS A 68 4.217 -9.436 -8.094 1.00 0.00 C ATOM 967 CE LYS A 68 5.709 -9.410 -7.801 1.00 0.00 C ATOM 968 NZ LYS A 68 6.519 -9.318 -9.048 1.00 0.00 N ATOM 0 H LYS A 68 1.915 -5.775 -9.722 1.00 0.00 H new ATOM 0 HA LYS A 68 4.427 -5.604 -8.414 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.897 -7.579 -10.058 1.00 0.00 H new ATOM 0 HB3 LYS A 68 4.632 -7.813 -9.973 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.115 -7.429 -7.336 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.568 -8.084 -7.835 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.709 -10.045 -7.346 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.043 -9.908 -9.061 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.938 -8.561 -7.156 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.987 -10.310 -7.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.470 -9.700 -8.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.059 -9.866 -9.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.594 -8.323 -9.340 1.00 0.00 H new ATOM 982 N LEU A 69 6.175 -5.128 -10.118 1.00 0.00 N ATOM 983 CA LEU A 69 7.173 -4.682 -11.084 1.00 0.00 C ATOM 984 C LEU A 69 8.382 -5.614 -11.091 1.00 0.00 C ATOM 985 O LEU A 69 8.580 -6.380 -12.035 1.00 0.00 O ATOM 986 CB LEU A 69 7.614 -3.250 -10.775 1.00 0.00 C ATOM 987 CG LEU A 69 6.483 -2.287 -10.411 1.00 0.00 C ATOM 988 CD1 LEU A 69 7.041 -1.022 -9.778 1.00 0.00 C ATOM 989 CD2 LEU A 69 5.654 -1.951 -11.642 1.00 0.00 C ATOM 0 H LEU A 69 6.520 -5.211 -9.162 1.00 0.00 H new ATOM 0 HA LEU A 69 6.717 -4.705 -12.074 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.327 -3.276 -9.951 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.142 -2.854 -11.642 1.00 0.00 H new ATOM 0 HG LEU A 69 5.835 -2.775 -9.683 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.221 -0.349 -9.526 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.590 -1.280 -8.873 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.712 -0.529 -10.481 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.854 -1.265 -11.365 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.291 -1.482 -12.393 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.223 -2.865 -12.051 1.00 0.00 H new ATOM 1001 N SER A 70 9.188 -5.547 -10.035 1.00 0.00 N ATOM 1002 CA SER A 70 10.376 -6.387 -9.926 1.00 0.00 C ATOM 1003 C SER A 70 11.123 -6.110 -8.626 1.00 0.00 C ATOM 1004 O SER A 70 11.030 -5.018 -8.066 1.00 0.00 O ATOM 1005 CB SER A 70 11.305 -6.154 -11.120 1.00 0.00 C ATOM 1006 OG SER A 70 11.161 -4.841 -11.630 1.00 0.00 O ATOM 0 H SER A 70 9.040 -4.920 -9.244 1.00 0.00 H new ATOM 0 HA SER A 70 10.053 -7.428 -9.924 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.339 -6.318 -10.817 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.083 -6.878 -11.904 1.00 0.00 H new ATOM 0 HG SER A 70 11.766 -4.717 -12.391 1.00 0.00 H new ATOM 1012 N ASP A 71 11.868 -7.105 -8.152 1.00 0.00 N ATOM 1013 CA ASP A 71 12.635 -6.969 -6.918 1.00 0.00 C ATOM 1014 C ASP A 71 11.737 -6.559 -5.754 1.00 0.00 C ATOM 1015 O ASP A 71 12.102 -5.705 -4.945 1.00 0.00 O ATOM 1016 CB ASP A 71 13.754 -5.942 -7.102 1.00 0.00 C ATOM 1017 CG ASP A 71 15.041 -6.361 -6.417 1.00 0.00 C ATOM 1018 OD1 ASP A 71 14.983 -6.746 -5.230 1.00 0.00 O ATOM 1019 OD2 ASP A 71 16.106 -6.302 -7.067 1.00 0.00 O ATOM 0 H ASP A 71 11.957 -8.015 -8.604 1.00 0.00 H new ATOM 0 HA ASP A 71 13.073 -7.939 -6.685 1.00 0.00 H new ATOM 0 HB2 ASP A 71 13.942 -5.800 -8.166 1.00 0.00 H new ATOM 0 HB3 ASP A 71 13.430 -4.980 -6.704 1.00 0.00 H new ATOM 1024 N SER A 72 10.563 -7.175 -5.675 1.00 0.00 N ATOM 1025 CA SER A 72 9.613 -6.875 -4.609 1.00 0.00 C ATOM 1026 C SER A 72 9.204 -5.405 -4.641 1.00 0.00 C ATOM 1027 O SER A 72 8.891 -4.816 -3.607 1.00 0.00 O ATOM 1028 CB SER A 72 10.219 -7.217 -3.246 1.00 0.00 C ATOM 1029 OG SER A 72 11.189 -8.244 -3.362 1.00 0.00 O ATOM 0 H SER A 72 10.246 -7.885 -6.335 1.00 0.00 H new ATOM 0 HA SER A 72 8.724 -7.485 -4.768 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.677 -6.327 -2.815 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.430 -7.533 -2.563 1.00 0.00 H new ATOM 0 HG SER A 72 11.562 -8.443 -2.478 1.00 0.00 H new ATOM 1035 N ARG A 73 9.211 -4.819 -5.834 1.00 0.00 N ATOM 1036 CA ARG A 73 8.840 -3.419 -5.999 1.00 0.00 C ATOM 1037 C ARG A 73 7.451 -3.292 -6.617 1.00 0.00 C ATOM 1038 O ARG A 73 7.205 -3.782 -7.719 1.00 0.00 O ATOM 1039 CB ARG A 73 9.868 -2.697 -6.873 1.00 0.00 C ATOM 1040 CG ARG A 73 11.299 -2.860 -6.389 1.00 0.00 C ATOM 1041 CD ARG A 73 11.584 -1.979 -5.182 1.00 0.00 C ATOM 1042 NE ARG A 73 11.492 -0.557 -5.508 1.00 0.00 N ATOM 1043 CZ ARG A 73 12.031 0.409 -4.768 1.00 0.00 C ATOM 1044 NH1 ARG A 73 12.701 0.113 -3.661 1.00 0.00 N ATOM 1045 NH2 ARG A 73 11.898 1.676 -5.135 1.00 0.00 N ATOM 0 H ARG A 73 9.469 -5.292 -6.700 1.00 0.00 H new ATOM 0 HA ARG A 73 8.822 -2.956 -5.013 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.793 -3.073 -7.893 1.00 0.00 H new ATOM 0 HB3 ARG A 73 9.623 -1.635 -6.906 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.480 -3.903 -6.130 1.00 0.00 H new ATOM 0 HG3 ARG A 73 11.988 -2.608 -7.195 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.878 -2.215 -4.386 1.00 0.00 H new ATOM 0 HD3 ARG A 73 12.581 -2.200 -4.799 1.00 0.00 H new ATOM 0 HE ARG A 73 10.985 -0.290 -6.352 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.805 -0.860 -3.373 1.00 0.00 H new ATOM 0 HH12 ARG A 73 13.112 0.858 -3.099 1.00 0.00 H new ATOM 0 HH21 ARG A 73 11.383 1.910 -5.984 1.00 0.00 H new ATOM 0 HH22 ARG A 73 12.311 2.417 -4.569 1.00 0.00 H new ATOM 1059 N ILE A 74 6.548 -2.633 -5.899 1.00 0.00 N ATOM 1060 CA ILE A 74 5.183 -2.443 -6.377 1.00 0.00 C ATOM 1061 C ILE A 74 4.846 -0.961 -6.503 1.00 0.00 C ATOM 1062 O ILE A 74 5.274 -0.146 -5.687 1.00 0.00 O ATOM 1063 CB ILE A 74 4.161 -3.112 -5.438 1.00 0.00 C ATOM 1064 CG1 ILE A 74 4.347 -2.610 -4.005 1.00 0.00 C ATOM 1065 CG2 ILE A 74 4.297 -4.625 -5.498 1.00 0.00 C ATOM 1066 CD1 ILE A 74 3.052 -2.498 -3.231 1.00 0.00 C ATOM 0 H ILE A 74 6.736 -2.222 -4.985 1.00 0.00 H new ATOM 0 HA ILE A 74 5.124 -2.911 -7.359 1.00 0.00 H new ATOM 0 HB ILE A 74 3.157 -2.845 -5.768 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.020 -3.286 -3.476 1.00 0.00 H new ATOM 0 HG13 ILE A 74 4.831 -1.634 -4.031 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.568 -5.083 -4.829 1.00 0.00 H new ATOM 0 HG22 ILE A 74 4.118 -4.966 -6.518 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.302 -4.912 -5.190 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.260 -2.136 -2.224 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.385 -1.800 -3.737 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.576 -3.477 -3.174 1.00 0.00 H new ATOM 1078 N ALA A 75 4.076 -0.621 -7.532 1.00 0.00 N ATOM 1079 CA ALA A 75 3.681 0.764 -7.764 1.00 0.00 C ATOM 1080 C ALA A 75 2.205 0.973 -7.447 1.00 0.00 C ATOM 1081 O ALA A 75 1.335 0.332 -8.037 1.00 0.00 O ATOM 1082 CB ALA A 75 3.975 1.161 -9.203 1.00 0.00 C ATOM 0 H ALA A 75 3.714 -1.284 -8.217 1.00 0.00 H new ATOM 0 HA ALA A 75 4.263 1.400 -7.097 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.676 2.197 -9.363 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.042 1.057 -9.398 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.418 0.514 -9.880 1.00 0.00 H new ATOM 1088 N LEU A 76 1.927 1.876 -6.512 1.00 0.00 N ATOM 1089 CA LEU A 76 0.554 2.170 -6.117 1.00 0.00 C ATOM 1090 C LEU A 76 -0.148 3.010 -7.178 1.00 0.00 C ATOM 1091 O LEU A 76 0.473 3.460 -8.141 1.00 0.00 O ATOM 1092 CB LEU A 76 0.533 2.901 -4.774 1.00 0.00 C ATOM 1093 CG LEU A 76 0.934 2.050 -3.567 1.00 0.00 C ATOM 1094 CD1 LEU A 76 0.918 2.886 -2.296 1.00 0.00 C ATOM 1095 CD2 LEU A 76 0.007 0.852 -3.430 1.00 0.00 C ATOM 0 H LEU A 76 2.634 2.417 -6.014 1.00 0.00 H new ATOM 0 HA LEU A 76 0.020 1.225 -6.016 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.204 3.758 -4.834 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.470 3.292 -4.606 1.00 0.00 H new ATOM 0 HG LEU A 76 1.949 1.684 -3.724 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.206 2.264 -1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.622 3.713 -2.395 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.085 3.281 -2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.306 0.257 -2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.018 1.198 -3.295 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.067 0.241 -4.330 1.00 0.00 H new ATOM 1107 N LYS A 77 -1.448 3.220 -6.994 1.00 0.00 N ATOM 1108 CA LYS A 77 -2.236 4.006 -7.936 1.00 0.00 C ATOM 1109 C LYS A 77 -3.452 4.618 -7.249 1.00 0.00 C ATOM 1110 O LYS A 77 -4.325 3.902 -6.758 1.00 0.00 O ATOM 1111 CB LYS A 77 -2.684 3.135 -9.112 1.00 0.00 C ATOM 1112 CG LYS A 77 -3.322 3.923 -10.244 1.00 0.00 C ATOM 1113 CD LYS A 77 -3.788 3.009 -11.365 1.00 0.00 C ATOM 1114 CE LYS A 77 -3.590 3.654 -12.728 1.00 0.00 C ATOM 1115 NZ LYS A 77 -4.712 3.346 -13.657 1.00 0.00 N ATOM 0 H LYS A 77 -1.977 2.857 -6.201 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.608 4.814 -8.311 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.822 2.591 -9.499 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.395 2.391 -8.752 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -4.169 4.491 -9.861 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.605 4.645 -10.636 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.237 2.069 -11.322 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -4.842 2.768 -11.225 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -3.503 4.734 -12.609 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.653 3.305 -13.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -4.539 3.804 -14.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.779 2.317 -13.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -5.603 3.702 -13.255 1.00 0.00 H new ATOM 1129 N SER A 78 -3.503 5.945 -7.219 1.00 0.00 N ATOM 1130 CA SER A 78 -4.612 6.655 -6.592 1.00 0.00 C ATOM 1131 C SER A 78 -5.925 6.355 -7.309 1.00 0.00 C ATOM 1132 O SER A 78 -5.949 6.160 -8.524 1.00 0.00 O ATOM 1133 CB SER A 78 -4.348 8.161 -6.593 1.00 0.00 C ATOM 1134 OG SER A 78 -4.571 8.717 -7.878 1.00 0.00 O ATOM 0 H SER A 78 -2.789 6.551 -7.622 1.00 0.00 H new ATOM 0 HA SER A 78 -4.695 6.310 -5.561 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.997 8.648 -5.865 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.321 8.354 -6.283 1.00 0.00 H new ATOM 0 HG SER A 78 -4.554 9.695 -7.819 1.00 0.00 H new ATOM 1140 N GLY A 79 -7.014 6.322 -6.548 1.00 0.00 N ATOM 1141 CA GLY A 79 -8.316 6.047 -7.127 1.00 0.00 C ATOM 1142 C GLY A 79 -8.694 7.041 -8.208 1.00 0.00 C ATOM 1143 O GLY A 79 -9.448 6.715 -9.124 1.00 0.00 O ATOM 0 H GLY A 79 -7.018 6.481 -5.540 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.318 5.041 -7.547 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.071 6.066 -6.341 1.00 0.00 H new ATOM 1147 N TYR A 80 -8.170 8.257 -8.100 1.00 0.00 N ATOM 1148 CA TYR A 80 -8.457 9.302 -9.077 1.00 0.00 C ATOM 1149 C TYR A 80 -7.920 8.922 -10.453 1.00 0.00 C ATOM 1150 O TYR A 80 -8.561 9.178 -11.472 1.00 0.00 O ATOM 1151 CB TYR A 80 -7.847 10.631 -8.626 1.00 0.00 C ATOM 1152 CG TYR A 80 -8.803 11.503 -7.845 1.00 0.00 C ATOM 1153 CD1 TYR A 80 -9.979 11.968 -8.421 1.00 0.00 C ATOM 1154 CD2 TYR A 80 -8.530 11.862 -6.531 1.00 0.00 C ATOM 1155 CE1 TYR A 80 -10.855 12.765 -7.711 1.00 0.00 C ATOM 1156 CE2 TYR A 80 -9.402 12.659 -5.813 1.00 0.00 C ATOM 1157 CZ TYR A 80 -10.562 13.108 -6.408 1.00 0.00 C ATOM 1158 OH TYR A 80 -11.432 13.903 -5.696 1.00 0.00 O ATOM 0 H TYR A 80 -7.545 8.544 -7.347 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.539 9.413 -9.148 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -6.969 10.428 -8.012 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -7.503 11.179 -9.503 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -10.212 11.701 -9.441 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -7.622 11.513 -6.063 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -11.765 13.118 -8.174 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -9.176 12.928 -4.792 1.00 0.00 H new ATOM 0 HH TYR A 80 -11.078 14.050 -4.794 1.00 0.00 H new ATOM 1168 N GLY A 81 -6.741 8.310 -10.475 1.00 0.00 N ATOM 1169 CA GLY A 81 -6.137 7.904 -11.730 1.00 0.00 C ATOM 1170 C GLY A 81 -4.716 8.412 -11.882 1.00 0.00 C ATOM 1171 O GLY A 81 -4.330 8.885 -12.951 1.00 0.00 O ATOM 0 H GLY A 81 -6.192 8.088 -9.644 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.139 6.816 -11.795 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.742 8.274 -12.557 1.00 0.00 H new ATOM 1175 N LYS A 82 -3.938 8.313 -10.810 1.00 0.00 N ATOM 1176 CA LYS A 82 -2.551 8.765 -10.826 1.00 0.00 C ATOM 1177 C LYS A 82 -1.652 7.795 -10.067 1.00 0.00 C ATOM 1178 O LYS A 82 -2.127 6.820 -9.484 1.00 0.00 O ATOM 1179 CB LYS A 82 -2.443 10.164 -10.217 1.00 0.00 C ATOM 1180 CG LYS A 82 -2.972 11.265 -11.120 1.00 0.00 C ATOM 1181 CD LYS A 82 -3.568 12.408 -10.315 1.00 0.00 C ATOM 1182 CE LYS A 82 -3.870 13.614 -11.193 1.00 0.00 C ATOM 1183 NZ LYS A 82 -3.093 14.813 -10.775 1.00 0.00 N ATOM 0 H LYS A 82 -4.244 7.924 -9.918 1.00 0.00 H new ATOM 0 HA LYS A 82 -2.219 8.801 -11.863 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -2.991 10.184 -9.275 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -1.398 10.369 -9.982 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.164 11.643 -11.747 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.729 10.856 -11.789 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -4.484 12.073 -9.829 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.875 12.697 -9.525 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.638 13.375 -12.231 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.936 13.838 -11.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.327 15.613 -11.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.333 15.057 -9.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.076 14.608 -10.842 1.00 0.00 H new ATOM 1197 N TYR A 83 -0.353 8.069 -10.077 1.00 0.00 N ATOM 1198 CA TYR A 83 0.613 7.220 -9.389 1.00 0.00 C ATOM 1199 C TYR A 83 1.207 7.939 -8.182 1.00 0.00 C ATOM 1200 O TYR A 83 1.632 9.090 -8.280 1.00 0.00 O ATOM 1201 CB TYR A 83 1.730 6.802 -10.347 1.00 0.00 C ATOM 1202 CG TYR A 83 1.396 5.574 -11.166 1.00 0.00 C ATOM 1203 CD1 TYR A 83 1.583 4.299 -10.649 1.00 0.00 C ATOM 1204 CD2 TYR A 83 0.895 5.693 -12.455 1.00 0.00 C ATOM 1205 CE1 TYR A 83 1.279 3.175 -11.394 1.00 0.00 C ATOM 1206 CE2 TYR A 83 0.588 4.573 -13.207 1.00 0.00 C ATOM 1207 CZ TYR A 83 0.783 3.318 -12.672 1.00 0.00 C ATOM 1208 OH TYR A 83 0.479 2.202 -13.416 1.00 0.00 O ATOM 0 H TYR A 83 0.056 8.872 -10.554 1.00 0.00 H new ATOM 0 HA TYR A 83 0.091 6.329 -9.039 1.00 0.00 H new ATOM 0 HB2 TYR A 83 1.948 7.630 -11.021 1.00 0.00 H new ATOM 0 HB3 TYR A 83 2.637 6.611 -9.773 1.00 0.00 H new ATOM 0 HD1 TYR A 83 1.972 4.184 -9.648 1.00 0.00 H new ATOM 0 HD2 TYR A 83 0.742 6.675 -12.877 1.00 0.00 H new ATOM 0 HE1 TYR A 83 1.429 2.190 -10.977 1.00 0.00 H new ATOM 0 HE2 TYR A 83 0.198 4.682 -14.208 1.00 0.00 H new ATOM 0 HH TYR A 83 0.139 2.476 -14.293 1.00 0.00 H new ATOM 1218 N LEU A 84 1.233 7.252 -7.045 1.00 0.00 N ATOM 1219 CA LEU A 84 1.775 7.825 -5.818 1.00 0.00 C ATOM 1220 C LEU A 84 3.299 7.848 -5.856 1.00 0.00 C ATOM 1221 O LEU A 84 3.947 6.801 -5.822 1.00 0.00 O ATOM 1222 CB LEU A 84 1.295 7.030 -4.602 1.00 0.00 C ATOM 1223 CG LEU A 84 -0.211 7.089 -4.345 1.00 0.00 C ATOM 1224 CD1 LEU A 84 -0.615 6.059 -3.301 1.00 0.00 C ATOM 1225 CD2 LEU A 84 -0.623 8.486 -3.904 1.00 0.00 C ATOM 0 H LEU A 84 0.885 6.298 -6.947 1.00 0.00 H new ATOM 0 HA LEU A 84 1.416 8.851 -5.736 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.586 5.987 -4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.814 7.399 -3.717 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.728 6.856 -5.276 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.690 6.116 -3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.356 5.061 -3.655 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.089 6.261 -2.368 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.698 8.509 -3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.097 8.748 -2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.369 9.204 -4.684 1.00 0.00 H new ATOM 1237 N GLY A 85 3.866 9.048 -5.928 1.00 0.00 N ATOM 1238 CA GLY A 85 5.311 9.185 -5.969 1.00 0.00 C ATOM 1239 C GLY A 85 5.806 10.357 -5.146 1.00 0.00 C ATOM 1240 O GLY A 85 5.344 11.485 -5.319 1.00 0.00 O ATOM 0 H GLY A 85 3.351 9.928 -5.959 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.770 8.267 -5.602 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.632 9.310 -7.003 1.00 0.00 H new ATOM 1244 N ILE A 86 6.749 10.091 -4.248 1.00 0.00 N ATOM 1245 CA ILE A 86 7.308 11.132 -3.395 1.00 0.00 C ATOM 1246 C ILE A 86 8.040 12.185 -4.221 1.00 0.00 C ATOM 1247 O ILE A 86 8.386 11.950 -5.379 1.00 0.00 O ATOM 1248 CB ILE A 86 8.281 10.546 -2.354 1.00 0.00 C ATOM 1249 CG1 ILE A 86 9.396 9.763 -3.050 1.00 0.00 C ATOM 1250 CG2 ILE A 86 7.532 9.655 -1.374 1.00 0.00 C ATOM 1251 CD1 ILE A 86 10.664 10.565 -3.248 1.00 0.00 C ATOM 0 H ILE A 86 7.142 9.163 -4.093 1.00 0.00 H new ATOM 0 HA ILE A 86 6.470 11.597 -2.876 1.00 0.00 H new ATOM 0 HB ILE A 86 8.733 11.367 -1.797 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.626 8.874 -2.463 1.00 0.00 H new ATOM 0 HG13 ILE A 86 9.037 9.420 -4.020 1.00 0.00 H new ATOM 0 HG21 ILE A 86 8.232 9.248 -0.644 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.770 10.240 -0.859 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.056 8.838 -1.916 1.00 0.00 H new ATOM 0 HD11 ILE A 86 11.411 9.947 -3.747 1.00 0.00 H new ATOM 0 HD12 ILE A 86 10.449 11.440 -3.861 1.00 0.00 H new ATOM 0 HD13 ILE A 86 11.047 10.886 -2.279 1.00 0.00 H new ATOM 1263 N ASN A 87 8.274 13.346 -3.618 1.00 0.00 N ATOM 1264 CA ASN A 87 8.966 14.435 -4.298 1.00 0.00 C ATOM 1265 C ASN A 87 10.423 14.513 -3.860 1.00 0.00 C ATOM 1266 O ASN A 87 10.843 13.813 -2.937 1.00 0.00 O ATOM 1267 CB ASN A 87 8.265 15.766 -4.018 1.00 0.00 C ATOM 1268 CG ASN A 87 7.089 16.007 -4.944 1.00 0.00 C ATOM 1269 OD1 ASN A 87 7.008 15.429 -6.027 1.00 0.00 O ATOM 1270 ND2 ASN A 87 6.169 16.866 -4.520 1.00 0.00 N ATOM 0 H ASN A 87 7.995 13.557 -2.660 1.00 0.00 H new ATOM 0 HA ASN A 87 8.939 14.236 -5.369 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.919 15.781 -2.985 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.981 16.580 -4.126 1.00 0.00 H new ATOM 0 HD21 ASN A 87 5.355 17.069 -5.100 1.00 0.00 H new ATOM 0 HD22 ASN A 87 6.277 17.323 -3.614 1.00 0.00 H new ATOM 1277 N SER A 88 11.192 15.367 -4.528 1.00 0.00 N ATOM 1278 CA SER A 88 12.605 15.537 -4.206 1.00 0.00 C ATOM 1279 C SER A 88 12.781 16.063 -2.786 1.00 0.00 C ATOM 1280 O SER A 88 13.750 15.728 -2.104 1.00 0.00 O ATOM 1281 CB SER A 88 13.266 16.492 -5.201 1.00 0.00 C ATOM 1282 OG SER A 88 12.475 17.653 -5.395 1.00 0.00 O ATOM 0 H SER A 88 10.861 15.952 -5.295 1.00 0.00 H new ATOM 0 HA SER A 88 13.086 14.561 -4.275 1.00 0.00 H new ATOM 0 HB2 SER A 88 14.253 16.777 -4.836 1.00 0.00 H new ATOM 0 HB3 SER A 88 13.413 15.985 -6.154 1.00 0.00 H new ATOM 0 HG SER A 88 12.919 18.249 -6.034 1.00 0.00 H new ATOM 1288 N ASP A 89 11.837 16.888 -2.345 1.00 0.00 N ATOM 1289 CA ASP A 89 11.888 17.461 -1.004 1.00 0.00 C ATOM 1290 C ASP A 89 11.549 16.412 0.049 1.00 0.00 C ATOM 1291 O ASP A 89 12.229 16.299 1.069 1.00 0.00 O ATOM 1292 CB ASP A 89 10.922 18.643 -0.895 1.00 0.00 C ATOM 1293 CG ASP A 89 11.587 19.965 -1.222 1.00 0.00 C ATOM 1294 OD1 ASP A 89 11.701 20.291 -2.423 1.00 0.00 O ATOM 1295 OD2 ASP A 89 11.994 20.674 -0.278 1.00 0.00 O ATOM 0 H ASP A 89 11.028 17.175 -2.896 1.00 0.00 H new ATOM 0 HA ASP A 89 12.904 17.814 -0.824 1.00 0.00 H new ATOM 0 HB2 ASP A 89 10.082 18.485 -1.571 1.00 0.00 H new ATOM 0 HB3 ASP A 89 10.515 18.684 0.115 1.00 0.00 H new ATOM 1300 N GLY A 90 10.493 15.646 -0.205 1.00 0.00 N ATOM 1301 CA GLY A 90 10.081 14.615 0.730 1.00 0.00 C ATOM 1302 C GLY A 90 8.610 14.707 1.086 1.00 0.00 C ATOM 1303 O GLY A 90 8.235 14.556 2.248 1.00 0.00 O ATOM 0 H GLY A 90 9.915 15.721 -1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 90 10.286 13.635 0.299 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.677 14.695 1.639 1.00 0.00 H new ATOM 1307 N LEU A 91 7.775 14.957 0.083 1.00 0.00 N ATOM 1308 CA LEU A 91 6.336 15.069 0.295 1.00 0.00 C ATOM 1309 C LEU A 91 5.579 14.059 -0.559 1.00 0.00 C ATOM 1310 O LEU A 91 5.691 14.061 -1.786 1.00 0.00 O ATOM 1311 CB LEU A 91 5.860 16.486 -0.026 1.00 0.00 C ATOM 1312 CG LEU A 91 4.693 16.987 0.826 1.00 0.00 C ATOM 1313 CD1 LEU A 91 5.171 17.359 2.221 1.00 0.00 C ATOM 1314 CD2 LEU A 91 4.018 18.176 0.157 1.00 0.00 C ATOM 0 H LEU A 91 8.070 15.086 -0.885 1.00 0.00 H new ATOM 0 HA LEU A 91 6.132 14.854 1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.699 17.171 0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.567 16.525 -1.075 1.00 0.00 H new ATOM 0 HG LEU A 91 3.963 16.183 0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.327 17.713 2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.609 16.484 2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 91 5.921 18.147 2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.190 18.520 0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.740 18.983 0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.640 17.877 -0.821 1.00 0.00 H new ATOM 1326 N VAL A 92 4.806 13.198 0.095 1.00 0.00 N ATOM 1327 CA VAL A 92 4.029 12.182 -0.606 1.00 0.00 C ATOM 1328 C VAL A 92 2.945 12.819 -1.468 1.00 0.00 C ATOM 1329 O VAL A 92 1.900 13.230 -0.965 1.00 0.00 O ATOM 1330 CB VAL A 92 3.372 11.198 0.379 1.00 0.00 C ATOM 1331 CG1 VAL A 92 2.734 10.037 -0.369 1.00 0.00 C ATOM 1332 CG2 VAL A 92 4.390 10.694 1.391 1.00 0.00 C ATOM 0 H VAL A 92 4.701 13.184 1.109 1.00 0.00 H new ATOM 0 HA VAL A 92 4.724 11.636 -1.244 1.00 0.00 H new ATOM 0 HB VAL A 92 2.587 11.726 0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.275 9.353 0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.972 10.417 -1.049 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.498 9.508 -0.939 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.907 10.000 2.078 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.200 10.184 0.869 1.00 0.00 H new ATOM 0 HG23 VAL A 92 4.794 11.537 1.951 1.00 0.00 H new ATOM 1342 N VAL A 93 3.202 12.899 -2.770 1.00 0.00 N ATOM 1343 CA VAL A 93 2.247 13.487 -3.703 1.00 0.00 C ATOM 1344 C VAL A 93 1.748 12.451 -4.705 1.00 0.00 C ATOM 1345 O VAL A 93 2.200 11.306 -4.708 1.00 0.00 O ATOM 1346 CB VAL A 93 2.869 14.668 -4.471 1.00 0.00 C ATOM 1347 CG1 VAL A 93 3.084 15.854 -3.543 1.00 0.00 C ATOM 1348 CG2 VAL A 93 4.176 14.250 -5.126 1.00 0.00 C ATOM 0 H VAL A 93 4.063 12.564 -3.203 1.00 0.00 H new ATOM 0 HA VAL A 93 1.407 13.849 -3.110 1.00 0.00 H new ATOM 0 HB VAL A 93 2.177 14.972 -5.257 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.524 16.679 -4.103 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.127 16.168 -3.126 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.755 15.566 -2.734 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.601 15.098 -5.664 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.877 13.918 -4.360 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.989 13.434 -5.824 1.00 0.00 H new ATOM 1358 N GLY A 94 0.812 12.861 -5.555 1.00 0.00 N ATOM 1359 CA GLY A 94 0.266 11.958 -6.550 1.00 0.00 C ATOM 1360 C GLY A 94 -0.126 12.671 -7.829 1.00 0.00 C ATOM 1361 O GLY A 94 -1.212 13.243 -7.921 1.00 0.00 O ATOM 0 H GLY A 94 0.422 13.803 -5.572 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.002 11.187 -6.779 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -0.607 11.453 -6.137 1.00 0.00 H new ATOM 1365 N ARG A 95 0.761 12.637 -8.819 1.00 0.00 N ATOM 1366 CA ARG A 95 0.502 13.284 -10.100 1.00 0.00 C ATOM 1367 C ARG A 95 1.493 12.810 -11.158 1.00 0.00 C ATOM 1368 O ARG A 95 2.526 13.441 -11.383 1.00 0.00 O ATOM 1369 CB ARG A 95 0.583 14.805 -9.953 1.00 0.00 C ATOM 1370 CG ARG A 95 1.797 15.278 -9.167 1.00 0.00 C ATOM 1371 CD ARG A 95 2.812 15.969 -10.065 1.00 0.00 C ATOM 1372 NE ARG A 95 4.185 15.640 -9.692 1.00 0.00 N ATOM 1373 CZ ARG A 95 5.232 15.813 -10.495 1.00 0.00 C ATOM 1374 NH1 ARG A 95 5.068 16.313 -11.714 1.00 0.00 N ATOM 1375 NH2 ARG A 95 6.448 15.488 -10.078 1.00 0.00 N ATOM 0 H ARG A 95 1.665 12.168 -8.758 1.00 0.00 H new ATOM 0 HA ARG A 95 -0.503 13.010 -10.421 1.00 0.00 H new ATOM 0 HB2 ARG A 95 0.604 15.257 -10.945 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -0.321 15.162 -9.459 1.00 0.00 H new ATOM 0 HG2 ARG A 95 1.478 15.964 -8.382 1.00 0.00 H new ATOM 0 HG3 ARG A 95 2.266 14.426 -8.674 1.00 0.00 H new ATOM 0 HD2 ARG A 95 2.638 15.677 -11.101 1.00 0.00 H new ATOM 0 HD3 ARG A 95 2.670 17.048 -10.010 1.00 0.00 H new ATOM 0 HE ARG A 95 4.351 15.255 -8.762 1.00 0.00 H new ATOM 0 HH11 ARG A 95 4.135 16.567 -12.040 1.00 0.00 H new ATOM 0 HH12 ARG A 95 5.875 16.443 -12.325 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.581 15.105 -9.142 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.251 15.621 -10.693 1.00 0.00 H new ATOM 1389 N SER A 96 1.171 11.696 -11.805 1.00 0.00 N ATOM 1390 CA SER A 96 2.033 11.137 -12.841 1.00 0.00 C ATOM 1391 C SER A 96 1.395 9.902 -13.470 1.00 0.00 C ATOM 1392 O SER A 96 1.263 8.861 -12.826 1.00 0.00 O ATOM 1393 CB SER A 96 3.399 10.776 -12.256 1.00 0.00 C ATOM 1394 OG SER A 96 4.312 11.853 -12.390 1.00 0.00 O ATOM 0 H SER A 96 0.320 11.162 -11.631 1.00 0.00 H new ATOM 0 HA SER A 96 2.165 11.892 -13.616 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.290 10.516 -11.203 1.00 0.00 H new ATOM 0 HB3 SER A 96 3.794 9.895 -12.762 1.00 0.00 H new ATOM 0 HG SER A 96 3.968 12.635 -11.910 1.00 0.00 H new ATOM 1400 N ASP A 97 1.001 10.026 -14.734 1.00 0.00 N ATOM 1401 CA ASP A 97 0.378 8.920 -15.452 1.00 0.00 C ATOM 1402 C ASP A 97 1.342 7.746 -15.586 1.00 0.00 C ATOM 1403 O ASP A 97 0.926 6.587 -15.605 1.00 0.00 O ATOM 1404 CB ASP A 97 -0.082 9.379 -16.837 1.00 0.00 C ATOM 1405 CG ASP A 97 -1.418 8.781 -17.230 1.00 0.00 C ATOM 1406 OD1 ASP A 97 -2.231 8.498 -16.326 1.00 0.00 O ATOM 1407 OD2 ASP A 97 -1.651 8.595 -18.443 1.00 0.00 O ATOM 0 H ASP A 97 1.102 10.881 -15.281 1.00 0.00 H new ATOM 0 HA ASP A 97 -0.489 8.590 -14.880 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -0.156 10.466 -16.850 1.00 0.00 H new ATOM 0 HB3 ASP A 97 0.669 9.101 -17.577 1.00 0.00 H new ATOM 1412 N ALA A 98 2.632 8.052 -15.678 1.00 0.00 N ATOM 1413 CA ALA A 98 3.655 7.022 -15.809 1.00 0.00 C ATOM 1414 C ALA A 98 4.154 6.566 -14.443 1.00 0.00 C ATOM 1415 O ALA A 98 3.751 7.106 -13.412 1.00 0.00 O ATOM 1416 CB ALA A 98 4.812 7.534 -16.655 1.00 0.00 C ATOM 0 H ALA A 98 2.993 9.006 -15.664 1.00 0.00 H new ATOM 0 HA ALA A 98 3.209 6.161 -16.307 1.00 0.00 H new ATOM 0 HB1 ALA A 98 5.569 6.755 -16.745 1.00 0.00 H new ATOM 0 HB2 ALA A 98 4.447 7.802 -17.647 1.00 0.00 H new ATOM 0 HB3 ALA A 98 5.249 8.412 -16.180 1.00 0.00 H new ATOM 1422 N ILE A 99 5.034 5.570 -14.441 1.00 0.00 N ATOM 1423 CA ILE A 99 5.588 5.042 -13.200 1.00 0.00 C ATOM 1424 C ILE A 99 7.044 5.463 -13.028 1.00 0.00 C ATOM 1425 O ILE A 99 7.960 4.737 -13.414 1.00 0.00 O ATOM 1426 CB ILE A 99 5.500 3.504 -13.154 1.00 0.00 C ATOM 1427 CG1 ILE A 99 4.078 3.039 -13.475 1.00 0.00 C ATOM 1428 CG2 ILE A 99 5.933 2.988 -11.789 1.00 0.00 C ATOM 1429 CD1 ILE A 99 4.026 1.761 -14.283 1.00 0.00 C ATOM 0 H ILE A 99 5.379 5.112 -15.285 1.00 0.00 H new ATOM 0 HA ILE A 99 4.993 5.456 -12.386 1.00 0.00 H new ATOM 0 HB ILE A 99 6.174 3.097 -13.908 1.00 0.00 H new ATOM 0 HG12 ILE A 99 3.534 2.891 -12.542 1.00 0.00 H new ATOM 0 HG13 ILE A 99 3.562 3.827 -14.024 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.865 1.900 -11.773 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.962 3.290 -11.596 1.00 0.00 H new ATOM 0 HG23 ILE A 99 5.282 3.404 -11.020 1.00 0.00 H new ATOM 0 HD11 ILE A 99 2.987 1.492 -14.473 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.541 1.909 -15.232 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.512 0.959 -13.727 1.00 0.00 H new ATOM 1441 N GLY A 100 7.249 6.639 -12.445 1.00 0.00 N ATOM 1442 CA GLY A 100 8.596 7.136 -12.232 1.00 0.00 C ATOM 1443 C GLY A 100 9.280 6.474 -11.050 1.00 0.00 C ATOM 1444 O GLY A 100 8.626 5.805 -10.249 1.00 0.00 O ATOM 0 H GLY A 100 6.507 7.257 -12.116 1.00 0.00 H new ATOM 0 HA2 GLY A 100 9.188 6.968 -13.131 1.00 0.00 H new ATOM 0 HA3 GLY A 100 8.561 8.213 -12.071 1.00 0.00 H new ATOM 1448 N PRO A 101 10.605 6.644 -10.912 1.00 0.00 N ATOM 1449 CA PRO A 101 11.366 6.050 -9.808 1.00 0.00 C ATOM 1450 C PRO A 101 10.767 6.383 -8.446 1.00 0.00 C ATOM 1451 O PRO A 101 10.675 5.524 -7.570 1.00 0.00 O ATOM 1452 CB PRO A 101 12.753 6.682 -9.950 1.00 0.00 C ATOM 1453 CG PRO A 101 12.856 7.053 -11.389 1.00 0.00 C ATOM 1454 CD PRO A 101 11.465 7.425 -11.820 1.00 0.00 C ATOM 0 HA PRO A 101 11.372 4.961 -9.858 1.00 0.00 H new ATOM 0 HB2 PRO A 101 12.857 7.556 -9.308 1.00 0.00 H new ATOM 0 HB3 PRO A 101 13.538 5.982 -9.665 1.00 0.00 H new ATOM 0 HG2 PRO A 101 13.544 7.887 -11.529 1.00 0.00 H new ATOM 0 HG3 PRO A 101 13.239 6.221 -11.980 1.00 0.00 H new ATOM 0 HD2 PRO A 101 11.286 8.496 -11.721 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.285 7.168 -12.864 1.00 0.00 H new ATOM 1462 N ARG A 102 10.358 7.636 -8.276 1.00 0.00 N ATOM 1463 CA ARG A 102 9.765 8.084 -7.021 1.00 0.00 C ATOM 1464 C ARG A 102 8.447 7.365 -6.754 1.00 0.00 C ATOM 1465 O ARG A 102 8.076 7.134 -5.603 1.00 0.00 O ATOM 1466 CB ARG A 102 9.538 9.597 -7.051 1.00 0.00 C ATOM 1467 CG ARG A 102 10.810 10.399 -7.271 1.00 0.00 C ATOM 1468 CD ARG A 102 10.554 11.627 -8.130 1.00 0.00 C ATOM 1469 NE ARG A 102 11.756 12.061 -8.837 1.00 0.00 N ATOM 1470 CZ ARG A 102 11.904 13.271 -9.372 1.00 0.00 C ATOM 1471 NH1 ARG A 102 10.931 14.169 -9.282 1.00 0.00 N ATOM 1472 NH2 ARG A 102 13.031 13.585 -9.998 1.00 0.00 N ATOM 0 H ARG A 102 10.426 8.359 -8.992 1.00 0.00 H new ATOM 0 HA ARG A 102 10.458 7.844 -6.215 1.00 0.00 H new ATOM 0 HB2 ARG A 102 8.828 9.834 -7.843 1.00 0.00 H new ATOM 0 HB3 ARG A 102 9.082 9.906 -6.111 1.00 0.00 H new ATOM 0 HG2 ARG A 102 11.219 10.706 -6.308 1.00 0.00 H new ATOM 0 HG3 ARG A 102 11.560 9.769 -7.749 1.00 0.00 H new ATOM 0 HD2 ARG A 102 9.768 11.406 -8.853 1.00 0.00 H new ATOM 0 HD3 ARG A 102 10.190 12.440 -7.501 1.00 0.00 H new ATOM 0 HE ARG A 102 12.527 11.399 -8.926 1.00 0.00 H new ATOM 0 HH11 ARG A 102 10.063 13.934 -8.801 1.00 0.00 H new ATOM 0 HH12 ARG A 102 11.051 15.094 -9.694 1.00 0.00 H new ATOM 0 HH21 ARG A 102 13.783 12.900 -10.069 1.00 0.00 H new ATOM 0 HH22 ARG A 102 13.145 14.512 -10.408 1.00 0.00 H new ATOM 1486 N GLU A 103 7.743 7.015 -7.825 1.00 0.00 N ATOM 1487 CA GLU A 103 6.463 6.323 -7.706 1.00 0.00 C ATOM 1488 C GLU A 103 6.660 4.893 -7.210 1.00 0.00 C ATOM 1489 O GLU A 103 5.781 4.325 -6.562 1.00 0.00 O ATOM 1490 CB GLU A 103 5.738 6.314 -9.052 1.00 0.00 C ATOM 1491 CG GLU A 103 5.145 7.659 -9.433 1.00 0.00 C ATOM 1492 CD GLU A 103 6.205 8.714 -9.682 1.00 0.00 C ATOM 1493 OE1 GLU A 103 7.327 8.345 -10.090 1.00 0.00 O ATOM 1494 OE2 GLU A 103 5.915 9.910 -9.467 1.00 0.00 O ATOM 0 H GLU A 103 8.036 7.198 -8.785 1.00 0.00 H new ATOM 0 HA GLU A 103 5.855 6.859 -6.977 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.436 6.001 -9.829 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.941 5.571 -9.021 1.00 0.00 H new ATOM 0 HG2 GLU A 103 4.536 7.543 -10.329 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.481 7.997 -8.638 1.00 0.00 H new ATOM 1501 N GLN A 104 7.816 4.317 -7.520 1.00 0.00 N ATOM 1502 CA GLN A 104 8.125 2.953 -7.106 1.00 0.00 C ATOM 1503 C GLN A 104 8.170 2.840 -5.585 1.00 0.00 C ATOM 1504 O GLN A 104 8.572 3.777 -4.895 1.00 0.00 O ATOM 1505 CB GLN A 104 9.462 2.507 -7.701 1.00 0.00 C ATOM 1506 CG GLN A 104 9.443 2.385 -9.215 1.00 0.00 C ATOM 1507 CD GLN A 104 10.440 1.365 -9.730 1.00 0.00 C ATOM 1508 OE1 GLN A 104 10.207 0.158 -9.653 1.00 0.00 O ATOM 1509 NE2 GLN A 104 11.560 1.845 -10.258 1.00 0.00 N ATOM 0 H GLN A 104 8.554 4.773 -8.056 1.00 0.00 H new ATOM 0 HA GLN A 104 7.334 2.301 -7.477 1.00 0.00 H new ATOM 0 HB2 GLN A 104 10.235 3.219 -7.412 1.00 0.00 H new ATOM 0 HB3 GLN A 104 9.739 1.545 -7.271 1.00 0.00 H new ATOM 0 HG2 GLN A 104 8.441 2.105 -9.541 1.00 0.00 H new ATOM 0 HG3 GLN A 104 9.662 3.357 -9.657 1.00 0.00 H new ATOM 0 HE21 GLN A 104 11.712 2.853 -10.302 1.00 0.00 H new ATOM 0 HE22 GLN A 104 12.268 1.206 -10.620 1.00 0.00 H new ATOM 1518 N TRP A 105 7.755 1.686 -5.071 1.00 0.00 N ATOM 1519 CA TRP A 105 7.749 1.447 -3.632 1.00 0.00 C ATOM 1520 C TRP A 105 8.427 0.122 -3.299 1.00 0.00 C ATOM 1521 O TRP A 105 8.890 -0.590 -4.190 1.00 0.00 O ATOM 1522 CB TRP A 105 6.316 1.449 -3.098 1.00 0.00 C ATOM 1523 CG TRP A 105 5.582 2.728 -3.366 1.00 0.00 C ATOM 1524 CD1 TRP A 105 4.744 2.988 -4.411 1.00 0.00 C ATOM 1525 CD2 TRP A 105 5.623 3.922 -2.576 1.00 0.00 C ATOM 1526 NE1 TRP A 105 4.261 4.271 -4.319 1.00 0.00 N ATOM 1527 CE2 TRP A 105 4.785 4.865 -3.200 1.00 0.00 C ATOM 1528 CE3 TRP A 105 6.286 4.284 -1.399 1.00 0.00 C ATOM 1529 CZ2 TRP A 105 4.594 6.146 -2.689 1.00 0.00 C ATOM 1530 CZ3 TRP A 105 6.095 5.557 -0.893 1.00 0.00 C ATOM 1531 CH2 TRP A 105 5.255 6.474 -1.536 1.00 0.00 C ATOM 0 H TRP A 105 7.419 0.902 -5.630 1.00 0.00 H new ATOM 0 HA TRP A 105 8.307 2.251 -3.153 1.00 0.00 H new ATOM 0 HB2 TRP A 105 5.767 0.622 -3.549 1.00 0.00 H new ATOM 0 HB3 TRP A 105 6.337 1.269 -2.023 1.00 0.00 H new ATOM 0 HD1 TRP A 105 4.497 2.288 -5.195 1.00 0.00 H new ATOM 0 HE1 TRP A 105 3.617 4.710 -4.977 1.00 0.00 H new ATOM 0 HE3 TRP A 105 6.935 3.583 -0.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 3.948 6.855 -3.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 6.603 5.849 0.014 1.00 0.00 H new ATOM 0 HH2 TRP A 105 5.126 7.460 -1.114 1.00 0.00 H new ATOM 1542 N GLU A 106 8.480 -0.204 -2.013 1.00 0.00 N ATOM 1543 CA GLU A 106 9.101 -1.445 -1.565 1.00 0.00 C ATOM 1544 C GLU A 106 8.534 -1.884 -0.216 1.00 0.00 C ATOM 1545 O GLU A 106 9.046 -1.501 0.835 1.00 0.00 O ATOM 1546 CB GLU A 106 10.618 -1.272 -1.460 1.00 0.00 C ATOM 1547 CG GLU A 106 11.387 -2.580 -1.548 1.00 0.00 C ATOM 1548 CD GLU A 106 12.552 -2.637 -0.579 1.00 0.00 C ATOM 1549 OE1 GLU A 106 12.404 -2.138 0.557 1.00 0.00 O ATOM 1550 OE2 GLU A 106 13.611 -3.180 -0.956 1.00 0.00 O ATOM 0 H GLU A 106 8.101 0.373 -1.262 1.00 0.00 H new ATOM 0 HA GLU A 106 8.879 -2.218 -2.301 1.00 0.00 H new ATOM 0 HB2 GLU A 106 10.955 -0.608 -2.255 1.00 0.00 H new ATOM 0 HB3 GLU A 106 10.855 -0.784 -0.515 1.00 0.00 H new ATOM 0 HG2 GLU A 106 10.710 -3.410 -1.346 1.00 0.00 H new ATOM 0 HG3 GLU A 106 11.758 -2.712 -2.565 1.00 0.00 H new ATOM 1557 N PRO A 107 7.465 -2.699 -0.229 1.00 0.00 N ATOM 1558 CA PRO A 107 6.831 -3.190 1.000 1.00 0.00 C ATOM 1559 C PRO A 107 7.835 -3.835 1.948 1.00 0.00 C ATOM 1560 O PRO A 107 8.889 -4.309 1.525 1.00 0.00 O ATOM 1561 CB PRO A 107 5.827 -4.229 0.495 1.00 0.00 C ATOM 1562 CG PRO A 107 5.524 -3.815 -0.903 1.00 0.00 C ATOM 1563 CD PRO A 107 6.790 -3.207 -1.439 1.00 0.00 C ATOM 0 HA PRO A 107 6.374 -2.383 1.573 1.00 0.00 H new ATOM 0 HB2 PRO A 107 6.247 -5.234 0.528 1.00 0.00 H new ATOM 0 HB3 PRO A 107 4.926 -4.240 1.109 1.00 0.00 H new ATOM 0 HG2 PRO A 107 5.216 -4.670 -1.505 1.00 0.00 H new ATOM 0 HG3 PRO A 107 4.705 -3.096 -0.928 1.00 0.00 H new ATOM 0 HD2 PRO A 107 7.401 -3.944 -1.960 1.00 0.00 H new ATOM 0 HD3 PRO A 107 6.582 -2.407 -2.149 1.00 0.00 H new ATOM 1571 N VAL A 108 7.501 -3.851 3.236 1.00 0.00 N ATOM 1572 CA VAL A 108 8.376 -4.438 4.244 1.00 0.00 C ATOM 1573 C VAL A 108 7.572 -5.191 5.299 1.00 0.00 C ATOM 1574 O VAL A 108 6.387 -4.923 5.499 1.00 0.00 O ATOM 1575 CB VAL A 108 9.232 -3.363 4.940 1.00 0.00 C ATOM 1576 CG1 VAL A 108 10.274 -4.010 5.839 1.00 0.00 C ATOM 1577 CG2 VAL A 108 9.893 -2.459 3.910 1.00 0.00 C ATOM 0 H VAL A 108 6.632 -3.465 3.605 1.00 0.00 H new ATOM 0 HA VAL A 108 9.033 -5.135 3.724 1.00 0.00 H new ATOM 0 HB VAL A 108 8.579 -2.751 5.562 1.00 0.00 H new ATOM 0 HG11 VAL A 108 10.869 -3.235 6.322 1.00 0.00 H new ATOM 0 HG12 VAL A 108 9.776 -4.612 6.599 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.925 -4.648 5.241 1.00 0.00 H new ATOM 0 HG21 VAL A 108 10.494 -1.706 4.419 1.00 0.00 H new ATOM 0 HG22 VAL A 108 10.534 -3.055 3.260 1.00 0.00 H new ATOM 0 HG23 VAL A 108 9.126 -1.968 3.312 1.00 0.00 H new ATOM 1587 N PHE A 109 8.225 -6.133 5.970 1.00 0.00 N ATOM 1588 CA PHE A 109 7.572 -6.926 7.006 1.00 0.00 C ATOM 1589 C PHE A 109 8.537 -7.228 8.148 1.00 0.00 C ATOM 1590 O PHE A 109 9.549 -7.902 7.957 1.00 0.00 O ATOM 1591 CB PHE A 109 7.036 -8.232 6.417 1.00 0.00 C ATOM 1592 CG PHE A 109 5.909 -8.034 5.444 1.00 0.00 C ATOM 1593 CD1 PHE A 109 6.166 -7.839 4.096 1.00 0.00 C ATOM 1594 CD2 PHE A 109 4.592 -8.044 5.878 1.00 0.00 C ATOM 1595 CE1 PHE A 109 5.131 -7.658 3.199 1.00 0.00 C ATOM 1596 CE2 PHE A 109 3.553 -7.863 4.985 1.00 0.00 C ATOM 1597 CZ PHE A 109 3.823 -7.670 3.644 1.00 0.00 C ATOM 0 H PHE A 109 9.206 -6.367 5.816 1.00 0.00 H new ATOM 0 HA PHE A 109 6.739 -6.346 7.402 1.00 0.00 H new ATOM 0 HB2 PHE A 109 7.850 -8.756 5.916 1.00 0.00 H new ATOM 0 HB3 PHE A 109 6.695 -8.874 7.229 1.00 0.00 H new ATOM 0 HD1 PHE A 109 7.187 -7.828 3.743 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.376 -8.195 6.925 1.00 0.00 H new ATOM 0 HE1 PHE A 109 5.344 -7.507 2.151 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.531 -7.872 5.335 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.013 -7.529 2.944 1.00 0.00 H new ATOM 1607 N GLN A 110 8.218 -6.723 9.335 1.00 0.00 N ATOM 1608 CA GLN A 110 9.058 -6.939 10.508 1.00 0.00 C ATOM 1609 C GLN A 110 8.232 -7.454 11.682 1.00 0.00 C ATOM 1610 O GLN A 110 7.487 -6.701 12.310 1.00 0.00 O ATOM 1611 CB GLN A 110 9.766 -5.639 10.899 1.00 0.00 C ATOM 1612 CG GLN A 110 11.211 -5.840 11.327 1.00 0.00 C ATOM 1613 CD GLN A 110 12.131 -6.130 10.157 1.00 0.00 C ATOM 1614 OE1 GLN A 110 12.853 -7.127 10.152 1.00 0.00 O ATOM 1615 NE2 GLN A 110 12.108 -5.257 9.156 1.00 0.00 N ATOM 0 H GLN A 110 7.385 -6.162 9.510 1.00 0.00 H new ATOM 0 HA GLN A 110 9.805 -7.691 10.256 1.00 0.00 H new ATOM 0 HB2 GLN A 110 9.738 -4.951 10.054 1.00 0.00 H new ATOM 0 HB3 GLN A 110 9.217 -5.166 11.713 1.00 0.00 H new ATOM 0 HG2 GLN A 110 11.560 -4.947 11.846 1.00 0.00 H new ATOM 0 HG3 GLN A 110 11.264 -6.664 12.039 1.00 0.00 H new ATOM 0 HE21 GLN A 110 11.494 -4.444 9.202 1.00 0.00 H new ATOM 0 HE22 GLN A 110 12.705 -5.400 8.341 1.00 0.00 H new ATOM 1624 N ASP A 111 8.369 -8.744 11.975 1.00 0.00 N ATOM 1625 CA ASP A 111 7.636 -9.361 13.074 1.00 0.00 C ATOM 1626 C ASP A 111 6.131 -9.232 12.865 1.00 0.00 C ATOM 1627 O ASP A 111 5.380 -8.986 13.810 1.00 0.00 O ATOM 1628 CB ASP A 111 8.037 -8.721 14.404 1.00 0.00 C ATOM 1629 CG ASP A 111 9.302 -9.326 14.981 1.00 0.00 C ATOM 1630 OD1 ASP A 111 9.200 -10.349 15.689 1.00 0.00 O ATOM 1631 OD2 ASP A 111 10.393 -8.776 14.722 1.00 0.00 O ATOM 0 H ASP A 111 8.981 -9.382 11.466 1.00 0.00 H new ATOM 0 HA ASP A 111 7.890 -10.421 13.098 1.00 0.00 H new ATOM 0 HB2 ASP A 111 8.183 -7.651 14.259 1.00 0.00 H new ATOM 0 HB3 ASP A 111 7.223 -8.837 15.120 1.00 0.00 H new ATOM 1636 N GLY A 112 5.694 -9.399 11.620 1.00 0.00 N ATOM 1637 CA GLY A 112 4.280 -9.298 11.311 1.00 0.00 C ATOM 1638 C GLY A 112 3.895 -7.921 10.805 1.00 0.00 C ATOM 1639 O GLY A 112 3.104 -7.794 9.871 1.00 0.00 O ATOM 0 H GLY A 112 6.294 -9.602 10.821 1.00 0.00 H new ATOM 0 HA2 GLY A 112 4.021 -10.044 10.559 1.00 0.00 H new ATOM 0 HA3 GLY A 112 3.699 -9.530 12.203 1.00 0.00 H new ATOM 1643 N LYS A 113 4.457 -6.887 11.424 1.00 0.00 N ATOM 1644 CA LYS A 113 4.169 -5.514 11.032 1.00 0.00 C ATOM 1645 C LYS A 113 4.596 -5.258 9.590 1.00 0.00 C ATOM 1646 O LYS A 113 5.110 -6.153 8.917 1.00 0.00 O ATOM 1647 CB LYS A 113 4.880 -4.533 11.967 1.00 0.00 C ATOM 1648 CG LYS A 113 4.329 -4.540 13.385 1.00 0.00 C ATOM 1649 CD LYS A 113 5.403 -4.903 14.400 1.00 0.00 C ATOM 1650 CE LYS A 113 4.798 -5.233 15.756 1.00 0.00 C ATOM 1651 NZ LYS A 113 4.684 -6.702 15.970 1.00 0.00 N ATOM 0 H LYS A 113 5.114 -6.975 12.199 1.00 0.00 H new ATOM 0 HA LYS A 113 3.092 -5.361 11.106 1.00 0.00 H new ATOM 0 HB2 LYS A 113 5.942 -4.777 11.997 1.00 0.00 H new ATOM 0 HB3 LYS A 113 4.795 -3.526 11.557 1.00 0.00 H new ATOM 0 HG2 LYS A 113 3.920 -3.558 13.622 1.00 0.00 H new ATOM 0 HG3 LYS A 113 3.507 -5.252 13.453 1.00 0.00 H new ATOM 0 HD2 LYS A 113 5.974 -5.758 14.037 1.00 0.00 H new ATOM 0 HD3 LYS A 113 6.102 -4.073 14.504 1.00 0.00 H new ATOM 0 HE2 LYS A 113 5.413 -4.798 16.544 1.00 0.00 H new ATOM 0 HE3 LYS A 113 3.811 -4.777 15.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 3.736 -6.927 16.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 4.836 -7.197 15.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 5.400 -7.009 16.658 1.00 0.00 H new ATOM 1665 N MET A 114 4.381 -4.033 9.121 1.00 0.00 N ATOM 1666 CA MET A 114 4.744 -3.662 7.759 1.00 0.00 C ATOM 1667 C MET A 114 4.888 -2.149 7.628 1.00 0.00 C ATOM 1668 O MET A 114 4.124 -1.389 8.222 1.00 0.00 O ATOM 1669 CB MET A 114 3.694 -4.173 6.771 1.00 0.00 C ATOM 1670 CG MET A 114 2.267 -3.837 7.172 1.00 0.00 C ATOM 1671 SD MET A 114 1.078 -5.070 6.607 1.00 0.00 S ATOM 1672 CE MET A 114 0.966 -6.121 8.053 1.00 0.00 C ATOM 0 H MET A 114 3.957 -3.281 9.664 1.00 0.00 H new ATOM 0 HA MET A 114 5.704 -4.122 7.528 1.00 0.00 H new ATOM 0 HB2 MET A 114 3.896 -3.749 5.787 1.00 0.00 H new ATOM 0 HB3 MET A 114 3.791 -5.255 6.677 1.00 0.00 H new ATOM 0 HG2 MET A 114 2.209 -3.752 8.257 1.00 0.00 H new ATOM 0 HG3 MET A 114 1.998 -2.864 6.762 1.00 0.00 H new ATOM 0 HE1 MET A 114 1.009 -7.166 7.747 1.00 0.00 H new ATOM 0 HE2 MET A 114 1.797 -5.905 8.725 1.00 0.00 H new ATOM 0 HE3 MET A 114 0.024 -5.932 8.568 1.00 0.00 H new ATOM 1682 N ALA A 115 5.872 -1.719 6.844 1.00 0.00 N ATOM 1683 CA ALA A 115 6.117 -0.297 6.634 1.00 0.00 C ATOM 1684 C ALA A 115 6.487 -0.013 5.182 1.00 0.00 C ATOM 1685 O ALA A 115 7.463 -0.554 4.664 1.00 0.00 O ATOM 1686 CB ALA A 115 7.215 0.193 7.566 1.00 0.00 C ATOM 0 H ALA A 115 6.512 -2.335 6.344 1.00 0.00 H new ATOM 0 HA ALA A 115 5.197 0.242 6.860 1.00 0.00 H new ATOM 0 HB1 ALA A 115 7.387 1.256 7.398 1.00 0.00 H new ATOM 0 HB2 ALA A 115 6.912 0.033 8.601 1.00 0.00 H new ATOM 0 HB3 ALA A 115 8.134 -0.359 7.368 1.00 0.00 H new ATOM 1692 N LEU A 116 5.701 0.839 4.532 1.00 0.00 N ATOM 1693 CA LEU A 116 5.948 1.195 3.140 1.00 0.00 C ATOM 1694 C LEU A 116 7.107 2.180 3.028 1.00 0.00 C ATOM 1695 O LEU A 116 7.050 3.285 3.567 1.00 0.00 O ATOM 1696 CB LEU A 116 4.686 1.797 2.515 1.00 0.00 C ATOM 1697 CG LEU A 116 4.383 1.324 1.092 1.00 0.00 C ATOM 1698 CD1 LEU A 116 3.588 0.027 1.119 1.00 0.00 C ATOM 1699 CD2 LEU A 116 3.626 2.400 0.324 1.00 0.00 C ATOM 0 H LEU A 116 4.888 1.295 4.947 1.00 0.00 H new ATOM 0 HA LEU A 116 6.215 0.287 2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 116 3.834 1.558 3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.784 2.883 2.508 1.00 0.00 H new ATOM 0 HG LEU A 116 5.328 1.136 0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.382 -0.295 0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.165 -0.743 1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.647 0.188 1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 116 3.418 2.048 -0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.687 2.618 0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 116 4.231 3.306 0.275 1.00 0.00 H new ATOM 1711 N LEU A 117 8.158 1.771 2.325 1.00 0.00 N ATOM 1712 CA LEU A 117 9.331 2.617 2.142 1.00 0.00 C ATOM 1713 C LEU A 117 9.319 3.275 0.767 1.00 0.00 C ATOM 1714 O LEU A 117 9.112 2.610 -0.249 1.00 0.00 O ATOM 1715 CB LEU A 117 10.611 1.796 2.317 1.00 0.00 C ATOM 1716 CG LEU A 117 11.899 2.616 2.405 1.00 0.00 C ATOM 1717 CD1 LEU A 117 12.078 3.181 3.805 1.00 0.00 C ATOM 1718 CD2 LEU A 117 13.097 1.766 2.013 1.00 0.00 C ATOM 0 H LEU A 117 8.221 0.859 1.873 1.00 0.00 H new ATOM 0 HA LEU A 117 9.304 3.400 2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 117 10.518 1.195 3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 117 10.697 1.102 1.481 1.00 0.00 H new ATOM 0 HG LEU A 117 11.826 3.450 1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 117 13.000 3.761 3.848 1.00 0.00 H new ATOM 0 HD12 LEU A 117 11.232 3.824 4.049 1.00 0.00 H new ATOM 0 HD13 LEU A 117 12.130 2.363 4.524 1.00 0.00 H new ATOM 0 HD21 LEU A 117 14.006 2.364 2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 117 13.173 0.912 2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 117 12.972 1.411 0.990 1.00 0.00 H new ATOM 1730 N ALA A 118 9.544 4.585 0.741 1.00 0.00 N ATOM 1731 CA ALA A 118 9.559 5.332 -0.511 1.00 0.00 C ATOM 1732 C ALA A 118 10.821 5.037 -1.313 1.00 0.00 C ATOM 1733 O ALA A 118 11.767 4.436 -0.803 1.00 0.00 O ATOM 1734 CB ALA A 118 9.446 6.825 -0.233 1.00 0.00 C ATOM 0 H ALA A 118 9.718 5.150 1.572 1.00 0.00 H new ATOM 0 HA ALA A 118 8.702 5.015 -1.105 1.00 0.00 H new ATOM 0 HB1 ALA A 118 9.458 7.373 -1.175 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.513 7.028 0.292 1.00 0.00 H new ATOM 0 HB3 ALA A 118 10.286 7.145 0.383 1.00 0.00 H new ATOM 1740 N SER A 119 10.827 5.465 -2.570 1.00 0.00 N ATOM 1741 CA SER A 119 11.974 5.249 -3.445 1.00 0.00 C ATOM 1742 C SER A 119 13.205 5.996 -2.936 1.00 0.00 C ATOM 1743 O SER A 119 14.327 5.724 -3.365 1.00 0.00 O ATOM 1744 CB SER A 119 11.644 5.699 -4.869 1.00 0.00 C ATOM 1745 OG SER A 119 12.726 5.441 -5.749 1.00 0.00 O ATOM 0 H SER A 119 10.051 5.963 -3.006 1.00 0.00 H new ATOM 0 HA SER A 119 12.198 4.182 -3.447 1.00 0.00 H new ATOM 0 HB2 SER A 119 10.753 5.179 -5.221 1.00 0.00 H new ATOM 0 HB3 SER A 119 11.414 6.764 -4.873 1.00 0.00 H new ATOM 0 HG SER A 119 12.390 5.364 -6.667 1.00 0.00 H new ATOM 1751 N ASN A 120 12.993 6.940 -2.021 1.00 0.00 N ATOM 1752 CA ASN A 120 14.092 7.721 -1.463 1.00 0.00 C ATOM 1753 C ASN A 120 14.585 7.120 -0.147 1.00 0.00 C ATOM 1754 O ASN A 120 15.169 7.817 0.681 1.00 0.00 O ATOM 1755 CB ASN A 120 13.654 9.170 -1.242 1.00 0.00 C ATOM 1756 CG ASN A 120 12.418 9.275 -0.371 1.00 0.00 C ATOM 1757 OD1 ASN A 120 11.983 8.293 0.231 1.00 0.00 O ATOM 1758 ND2 ASN A 120 11.843 10.470 -0.300 1.00 0.00 N ATOM 0 H ASN A 120 12.073 7.181 -1.652 1.00 0.00 H new ATOM 0 HA ASN A 120 14.915 7.700 -2.178 1.00 0.00 H new ATOM 0 HB2 ASN A 120 14.469 9.726 -0.779 1.00 0.00 H new ATOM 0 HB3 ASN A 120 13.456 9.638 -2.206 1.00 0.00 H new ATOM 0 HD21 ASN A 120 11.007 10.601 0.270 1.00 0.00 H new ATOM 0 HD22 ASN A 120 12.237 11.257 -0.815 1.00 0.00 H new ATOM 1765 N SER A 121 14.348 5.823 0.037 1.00 0.00 N ATOM 1766 CA SER A 121 14.772 5.131 1.251 1.00 0.00 C ATOM 1767 C SER A 121 14.231 5.825 2.499 1.00 0.00 C ATOM 1768 O SER A 121 14.948 5.997 3.485 1.00 0.00 O ATOM 1769 CB SER A 121 16.299 5.060 1.312 1.00 0.00 C ATOM 1770 OG SER A 121 16.870 5.206 0.024 1.00 0.00 O ATOM 0 H SER A 121 13.865 5.231 -0.639 1.00 0.00 H new ATOM 0 HA SER A 121 14.367 4.120 1.221 1.00 0.00 H new ATOM 0 HB2 SER A 121 16.676 5.842 1.971 1.00 0.00 H new ATOM 0 HB3 SER A 121 16.605 4.106 1.742 1.00 0.00 H new ATOM 0 HG SER A 121 17.847 5.159 0.092 1.00 0.00 H new ATOM 1776 N CYS A 122 12.963 6.218 2.449 1.00 0.00 N ATOM 1777 CA CYS A 122 12.330 6.890 3.578 1.00 0.00 C ATOM 1778 C CYS A 122 10.860 6.495 3.692 1.00 0.00 C ATOM 1779 O CYS A 122 10.081 6.685 2.758 1.00 0.00 O ATOM 1780 CB CYS A 122 12.451 8.408 3.431 1.00 0.00 C ATOM 1781 SG CYS A 122 13.923 9.109 4.213 1.00 0.00 S ATOM 0 H CYS A 122 12.355 6.083 1.641 1.00 0.00 H new ATOM 0 HA CYS A 122 12.844 6.578 4.487 1.00 0.00 H new ATOM 0 HB2 CYS A 122 12.461 8.660 2.371 1.00 0.00 H new ATOM 0 HB3 CYS A 122 11.566 8.876 3.862 1.00 0.00 H new ATOM 0 HG CYS A 122 14.852 8.202 4.280 1.00 0.00 H new ATOM 1787 N PHE A 123 10.489 5.944 4.843 1.00 0.00 N ATOM 1788 CA PHE A 123 9.114 5.521 5.080 1.00 0.00 C ATOM 1789 C PHE A 123 8.152 6.697 4.952 1.00 0.00 C ATOM 1790 O PHE A 123 8.575 7.845 4.806 1.00 0.00 O ATOM 1791 CB PHE A 123 8.985 4.890 6.467 1.00 0.00 C ATOM 1792 CG PHE A 123 9.655 3.551 6.580 1.00 0.00 C ATOM 1793 CD1 PHE A 123 9.129 2.441 5.938 1.00 0.00 C ATOM 1794 CD2 PHE A 123 10.811 3.401 7.330 1.00 0.00 C ATOM 1795 CE1 PHE A 123 9.744 1.208 6.041 1.00 0.00 C ATOM 1796 CE2 PHE A 123 11.430 2.170 7.436 1.00 0.00 C ATOM 1797 CZ PHE A 123 10.895 1.072 6.791 1.00 0.00 C ATOM 0 H PHE A 123 11.122 5.780 5.626 1.00 0.00 H new ATOM 0 HA PHE A 123 8.854 4.779 4.325 1.00 0.00 H new ATOM 0 HB2 PHE A 123 9.414 5.566 7.206 1.00 0.00 H new ATOM 0 HB3 PHE A 123 7.928 4.781 6.711 1.00 0.00 H new ATOM 0 HD1 PHE A 123 8.228 2.541 5.351 1.00 0.00 H new ATOM 0 HD2 PHE A 123 11.233 4.256 7.837 1.00 0.00 H new ATOM 0 HE1 PHE A 123 9.324 0.351 5.535 1.00 0.00 H new ATOM 0 HE2 PHE A 123 12.331 2.067 8.022 1.00 0.00 H new ATOM 0 HZ PHE A 123 11.376 0.109 6.873 1.00 0.00 H new ATOM 1807 N ILE A 124 6.857 6.406 5.006 1.00 0.00 N ATOM 1808 CA ILE A 124 5.835 7.439 4.897 1.00 0.00 C ATOM 1809 C ILE A 124 5.156 7.688 6.240 1.00 0.00 C ATOM 1810 O ILE A 124 4.969 6.764 7.031 1.00 0.00 O ATOM 1811 CB ILE A 124 4.762 7.063 3.856 1.00 0.00 C ATOM 1812 CG1 ILE A 124 4.225 5.657 4.132 1.00 0.00 C ATOM 1813 CG2 ILE A 124 5.334 7.152 2.450 1.00 0.00 C ATOM 1814 CD1 ILE A 124 3.040 5.285 3.269 1.00 0.00 C ATOM 0 H ILE A 124 6.490 5.462 5.125 1.00 0.00 H new ATOM 0 HA ILE A 124 6.342 8.349 4.574 1.00 0.00 H new ATOM 0 HB ILE A 124 3.936 7.769 3.935 1.00 0.00 H new ATOM 0 HG12 ILE A 124 5.024 4.933 3.971 1.00 0.00 H new ATOM 0 HG13 ILE A 124 3.937 5.586 5.181 1.00 0.00 H new ATOM 0 HG21 ILE A 124 4.564 6.884 1.726 1.00 0.00 H new ATOM 0 HG22 ILE A 124 5.673 8.170 2.259 1.00 0.00 H new ATOM 0 HG23 ILE A 124 6.176 6.466 2.356 1.00 0.00 H new ATOM 0 HD11 ILE A 124 2.711 4.276 3.518 1.00 0.00 H new ATOM 0 HD12 ILE A 124 2.225 5.987 3.448 1.00 0.00 H new ATOM 0 HD13 ILE A 124 3.328 5.324 2.219 1.00 0.00 H new ATOM 1826 N ARG A 125 4.791 8.941 6.489 1.00 0.00 N ATOM 1827 CA ARG A 125 4.132 9.311 7.736 1.00 0.00 C ATOM 1828 C ARG A 125 3.400 10.642 7.592 1.00 0.00 C ATOM 1829 O ARG A 125 3.962 11.619 7.096 1.00 0.00 O ATOM 1830 CB ARG A 125 5.153 9.398 8.872 1.00 0.00 C ATOM 1831 CG ARG A 125 4.538 9.746 10.217 1.00 0.00 C ATOM 1832 CD ARG A 125 5.550 10.409 11.138 1.00 0.00 C ATOM 1833 NE ARG A 125 5.089 10.448 12.522 1.00 0.00 N ATOM 1834 CZ ARG A 125 4.217 11.338 12.989 1.00 0.00 C ATOM 1835 NH1 ARG A 125 3.707 12.263 12.184 1.00 0.00 N ATOM 1836 NH2 ARG A 125 3.851 11.304 14.263 1.00 0.00 N ATOM 0 H ARG A 125 4.940 9.717 5.844 1.00 0.00 H new ATOM 0 HA ARG A 125 3.400 8.538 7.973 1.00 0.00 H new ATOM 0 HB2 ARG A 125 5.673 8.444 8.956 1.00 0.00 H new ATOM 0 HB3 ARG A 125 5.902 10.148 8.619 1.00 0.00 H new ATOM 0 HG2 ARG A 125 3.689 10.413 10.068 1.00 0.00 H new ATOM 0 HG3 ARG A 125 4.154 8.841 10.688 1.00 0.00 H new ATOM 0 HD2 ARG A 125 6.495 9.869 11.086 1.00 0.00 H new ATOM 0 HD3 ARG A 125 5.744 11.424 10.792 1.00 0.00 H new ATOM 0 HE ARG A 125 5.457 9.752 13.170 1.00 0.00 H new ATOM 0 HH11 ARG A 125 3.983 12.294 11.203 1.00 0.00 H new ATOM 0 HH12 ARG A 125 3.039 12.943 12.547 1.00 0.00 H new ATOM 0 HH21 ARG A 125 4.238 10.595 14.886 1.00 0.00 H new ATOM 0 HH22 ARG A 125 3.183 11.987 14.620 1.00 0.00 H new ATOM 1850 N CYS A 126 2.145 10.672 8.027 1.00 0.00 N ATOM 1851 CA CYS A 126 1.336 11.882 7.948 1.00 0.00 C ATOM 1852 C CYS A 126 1.543 12.758 9.179 1.00 0.00 C ATOM 1853 O CYS A 126 2.023 12.291 10.211 1.00 0.00 O ATOM 1854 CB CYS A 126 -0.143 11.521 7.808 1.00 0.00 C ATOM 1855 SG CYS A 126 -0.767 10.446 9.123 1.00 0.00 S ATOM 0 H CYS A 126 1.666 9.871 8.438 1.00 0.00 H new ATOM 0 HA CYS A 126 1.652 12.444 7.069 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -0.731 12.439 7.794 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -0.297 11.029 6.847 1.00 0.00 H new ATOM 0 HG CYS A 126 -0.777 9.214 8.708 1.00 0.00 H new ATOM 1861 N ASN A 127 1.176 14.030 9.062 1.00 0.00 N ATOM 1862 CA ASN A 127 1.319 14.972 10.165 1.00 0.00 C ATOM 1863 C ASN A 127 -0.043 15.350 10.737 1.00 0.00 C ATOM 1864 O ASN A 127 -1.053 15.320 10.033 1.00 0.00 O ATOM 1865 CB ASN A 127 2.055 16.228 9.698 1.00 0.00 C ATOM 1866 CG ASN A 127 3.546 16.000 9.538 1.00 0.00 C ATOM 1867 OD1 ASN A 127 4.222 15.559 10.468 1.00 0.00 O ATOM 1868 ND2 ASN A 127 4.066 16.302 8.355 1.00 0.00 N ATOM 0 H ASN A 127 0.777 14.432 8.214 1.00 0.00 H new ATOM 0 HA ASN A 127 1.901 14.489 10.950 1.00 0.00 H new ATOM 0 HB2 ASN A 127 1.637 16.558 8.747 1.00 0.00 H new ATOM 0 HB3 ASN A 127 1.888 17.031 10.416 1.00 0.00 H new ATOM 0 HD21 ASN A 127 5.064 16.171 8.188 1.00 0.00 H new ATOM 0 HD22 ASN A 127 3.468 16.665 7.613 1.00 0.00 H new ATOM 1875 N GLU A 128 -0.064 15.709 12.017 1.00 0.00 N ATOM 1876 CA GLU A 128 -1.303 16.095 12.681 1.00 0.00 C ATOM 1877 C GLU A 128 -1.951 17.284 11.978 1.00 0.00 C ATOM 1878 O GLU A 128 -3.173 17.432 11.984 1.00 0.00 O ATOM 1879 CB GLU A 128 -1.033 16.436 14.149 1.00 0.00 C ATOM 1880 CG GLU A 128 -1.419 15.325 15.111 1.00 0.00 C ATOM 1881 CD GLU A 128 -0.402 15.134 16.220 1.00 0.00 C ATOM 1882 OE1 GLU A 128 0.240 16.130 16.614 1.00 0.00 O ATOM 1883 OE2 GLU A 128 -0.245 13.988 16.691 1.00 0.00 O ATOM 0 H GLU A 128 0.762 15.740 12.614 1.00 0.00 H new ATOM 0 HA GLU A 128 -1.991 15.251 12.632 1.00 0.00 H new ATOM 0 HB2 GLU A 128 0.026 16.661 14.272 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -1.583 17.340 14.411 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -2.391 15.551 15.549 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -1.528 14.392 14.558 1.00 0.00 H new ATOM 1890 N ALA A 129 -1.123 18.130 11.372 1.00 0.00 N ATOM 1891 CA ALA A 129 -1.614 19.304 10.664 1.00 0.00 C ATOM 1892 C ALA A 129 -2.358 18.907 9.393 1.00 0.00 C ATOM 1893 O ALA A 129 -3.353 19.530 9.023 1.00 0.00 O ATOM 1894 CB ALA A 129 -0.461 20.241 10.332 1.00 0.00 C ATOM 0 H ALA A 129 -0.109 18.023 11.358 1.00 0.00 H new ATOM 0 HA ALA A 129 -2.315 19.825 11.317 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -0.843 21.114 9.803 1.00 0.00 H new ATOM 0 HB2 ALA A 129 0.026 20.559 11.254 1.00 0.00 H new ATOM 0 HB3 ALA A 129 0.260 19.721 9.701 1.00 0.00 H new ATOM 1900 N GLY A 130 -1.867 17.866 8.728 1.00 0.00 N ATOM 1901 CA GLY A 130 -2.497 17.404 7.505 1.00 0.00 C ATOM 1902 C GLY A 130 -1.489 17.042 6.431 1.00 0.00 C ATOM 1903 O GLY A 130 -1.800 16.289 5.508 1.00 0.00 O ATOM 0 H GLY A 130 -1.045 17.335 9.014 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -3.116 16.534 7.725 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -3.162 18.181 7.127 1.00 0.00 H new ATOM 1907 N ASP A 131 -0.279 17.581 6.547 1.00 0.00 N ATOM 1908 CA ASP A 131 0.774 17.311 5.575 1.00 0.00 C ATOM 1909 C ASP A 131 1.288 15.881 5.711 1.00 0.00 C ATOM 1910 O ASP A 131 1.278 15.309 6.801 1.00 0.00 O ATOM 1911 CB ASP A 131 1.928 18.300 5.754 1.00 0.00 C ATOM 1912 CG ASP A 131 1.457 19.740 5.778 1.00 0.00 C ATOM 1913 OD1 ASP A 131 0.568 20.062 6.594 1.00 0.00 O ATOM 1914 OD2 ASP A 131 1.978 20.548 4.979 1.00 0.00 O ATOM 0 H ASP A 131 -0.004 18.207 7.304 1.00 0.00 H new ATOM 0 HA ASP A 131 0.352 17.432 4.577 1.00 0.00 H new ATOM 0 HB2 ASP A 131 2.453 18.077 6.683 1.00 0.00 H new ATOM 0 HB3 ASP A 131 2.645 18.169 4.943 1.00 0.00 H new ATOM 1919 N ILE A 132 1.737 15.311 4.599 1.00 0.00 N ATOM 1920 CA ILE A 132 2.255 13.948 4.593 1.00 0.00 C ATOM 1921 C ILE A 132 3.627 13.887 3.932 1.00 0.00 C ATOM 1922 O ILE A 132 3.748 14.029 2.715 1.00 0.00 O ATOM 1923 CB ILE A 132 1.301 12.987 3.860 1.00 0.00 C ATOM 1924 CG1 ILE A 132 -0.130 13.168 4.368 1.00 0.00 C ATOM 1925 CG2 ILE A 132 1.756 11.547 4.041 1.00 0.00 C ATOM 1926 CD1 ILE A 132 -1.139 12.287 3.663 1.00 0.00 C ATOM 0 H ILE A 132 1.753 15.772 3.689 1.00 0.00 H new ATOM 0 HA ILE A 132 2.341 13.637 5.634 1.00 0.00 H new ATOM 0 HB ILE A 132 1.321 13.221 2.796 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -0.157 12.954 5.436 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -0.421 14.211 4.244 1.00 0.00 H new ATOM 0 HG21 ILE A 132 1.071 10.880 3.517 1.00 0.00 H new ATOM 0 HG22 ILE A 132 2.760 11.429 3.634 1.00 0.00 H new ATOM 0 HG23 ILE A 132 1.763 11.298 5.102 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -2.132 12.469 4.075 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -1.141 12.516 2.597 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -0.872 11.240 3.808 1.00 0.00 H new ATOM 1938 N GLU A 133 4.660 13.673 4.742 1.00 0.00 N ATOM 1939 CA GLU A 133 6.025 13.593 4.236 1.00 0.00 C ATOM 1940 C GLU A 133 6.647 12.239 4.561 1.00 0.00 C ATOM 1941 O GLU A 133 6.075 11.446 5.310 1.00 0.00 O ATOM 1942 CB GLU A 133 6.878 14.714 4.833 1.00 0.00 C ATOM 1943 CG GLU A 133 6.828 14.776 6.351 1.00 0.00 C ATOM 1944 CD GLU A 133 8.192 14.597 6.989 1.00 0.00 C ATOM 1945 OE1 GLU A 133 8.653 13.441 7.091 1.00 0.00 O ATOM 1946 OE2 GLU A 133 8.799 15.615 7.386 1.00 0.00 O ATOM 0 H GLU A 133 4.577 13.552 5.751 1.00 0.00 H new ATOM 0 HA GLU A 133 5.992 13.707 3.153 1.00 0.00 H new ATOM 0 HB2 GLU A 133 7.913 14.579 4.517 1.00 0.00 H new ATOM 0 HB3 GLU A 133 6.543 15.669 4.428 1.00 0.00 H new ATOM 0 HG2 GLU A 133 6.411 15.735 6.658 1.00 0.00 H new ATOM 0 HG3 GLU A 133 6.154 14.003 6.720 1.00 0.00 H new ATOM 1953 N ALA A 134 7.821 11.981 3.994 1.00 0.00 N ATOM 1954 CA ALA A 134 8.520 10.722 4.223 1.00 0.00 C ATOM 1955 C ALA A 134 9.416 10.809 5.455 1.00 0.00 C ATOM 1956 O ALA A 134 10.181 11.760 5.612 1.00 0.00 O ATOM 1957 CB ALA A 134 9.339 10.343 2.999 1.00 0.00 C ATOM 0 H ALA A 134 8.308 12.627 3.373 1.00 0.00 H new ATOM 0 HA ALA A 134 7.774 9.947 4.401 1.00 0.00 H new ATOM 0 HB1 ALA A 134 9.855 9.401 3.184 1.00 0.00 H new ATOM 0 HB2 ALA A 134 8.678 10.232 2.139 1.00 0.00 H new ATOM 0 HB3 ALA A 134 10.071 11.124 2.795 1.00 0.00 H new ATOM 1963 N LYS A 135 9.315 9.809 6.325 1.00 0.00 N ATOM 1964 CA LYS A 135 10.116 9.771 7.542 1.00 0.00 C ATOM 1965 C LYS A 135 11.508 9.217 7.260 1.00 0.00 C ATOM 1966 O LYS A 135 11.777 8.712 6.169 1.00 0.00 O ATOM 1967 CB LYS A 135 9.419 8.922 8.609 1.00 0.00 C ATOM 1968 CG LYS A 135 8.976 9.718 9.825 1.00 0.00 C ATOM 1969 CD LYS A 135 10.122 9.927 10.803 1.00 0.00 C ATOM 1970 CE LYS A 135 10.705 11.327 10.687 1.00 0.00 C ATOM 1971 NZ LYS A 135 12.114 11.383 11.163 1.00 0.00 N ATOM 0 H LYS A 135 8.686 9.014 6.209 1.00 0.00 H new ATOM 0 HA LYS A 135 10.221 10.791 7.912 1.00 0.00 H new ATOM 0 HB2 LYS A 135 8.549 8.438 8.165 1.00 0.00 H new ATOM 0 HB3 LYS A 135 10.095 8.130 8.930 1.00 0.00 H new ATOM 0 HG2 LYS A 135 8.588 10.685 9.506 1.00 0.00 H new ATOM 0 HG3 LYS A 135 8.160 9.196 10.325 1.00 0.00 H new ATOM 0 HD2 LYS A 135 9.768 9.762 11.821 1.00 0.00 H new ATOM 0 HD3 LYS A 135 10.902 9.190 10.614 1.00 0.00 H new ATOM 0 HE2 LYS A 135 10.660 11.654 9.648 1.00 0.00 H new ATOM 0 HE3 LYS A 135 10.098 12.022 11.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 12.226 12.180 11.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 12.352 10.495 11.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 12.750 11.513 10.351 1.00 0.00 H new ATOM 1985 N ASN A 136 12.390 9.313 8.249 1.00 0.00 N ATOM 1986 CA ASN A 136 13.755 8.820 8.108 1.00 0.00 C ATOM 1987 C ASN A 136 13.769 7.306 7.910 1.00 0.00 C ATOM 1988 O ASN A 136 12.719 6.665 7.884 1.00 0.00 O ATOM 1989 CB ASN A 136 14.586 9.196 9.338 1.00 0.00 C ATOM 1990 CG ASN A 136 15.802 10.029 8.981 1.00 0.00 C ATOM 1991 OD1 ASN A 136 15.678 11.171 8.538 1.00 0.00 O ATOM 1992 ND2 ASN A 136 16.987 9.460 9.172 1.00 0.00 N ATOM 0 H ASN A 136 12.184 9.728 9.158 1.00 0.00 H new ATOM 0 HA ASN A 136 14.195 9.287 7.227 1.00 0.00 H new ATOM 0 HB2 ASN A 136 13.962 9.750 10.039 1.00 0.00 H new ATOM 0 HB3 ASN A 136 14.908 8.288 9.847 1.00 0.00 H new ATOM 0 HD21 ASN A 136 17.841 9.972 8.949 1.00 0.00 H new ATOM 0 HD22 ASN A 136 17.043 8.511 9.541 1.00 0.00 H new ATOM 1999 N LYS A 137 14.964 6.743 7.770 1.00 0.00 N ATOM 2000 CA LYS A 137 15.113 5.306 7.573 1.00 0.00 C ATOM 2001 C LYS A 137 14.535 4.533 8.753 1.00 0.00 C ATOM 2002 O LYS A 137 14.035 3.419 8.592 1.00 0.00 O ATOM 2003 CB LYS A 137 16.588 4.947 7.385 1.00 0.00 C ATOM 2004 CG LYS A 137 17.162 5.408 6.056 1.00 0.00 C ATOM 2005 CD LYS A 137 18.583 4.904 5.857 1.00 0.00 C ATOM 2006 CE LYS A 137 18.976 4.908 4.388 1.00 0.00 C ATOM 2007 NZ LYS A 137 20.015 5.934 4.095 1.00 0.00 N ATOM 0 H LYS A 137 15.843 7.260 7.789 1.00 0.00 H new ATOM 0 HA LYS A 137 14.561 5.028 6.675 1.00 0.00 H new ATOM 0 HB2 LYS A 137 17.167 5.391 8.195 1.00 0.00 H new ATOM 0 HB3 LYS A 137 16.703 3.866 7.466 1.00 0.00 H new ATOM 0 HG2 LYS A 137 16.531 5.050 5.242 1.00 0.00 H new ATOM 0 HG3 LYS A 137 17.152 6.497 6.012 1.00 0.00 H new ATOM 0 HD2 LYS A 137 19.274 5.530 6.421 1.00 0.00 H new ATOM 0 HD3 LYS A 137 18.671 3.893 6.255 1.00 0.00 H new ATOM 0 HE2 LYS A 137 19.350 3.923 4.109 1.00 0.00 H new ATOM 0 HE3 LYS A 137 18.094 5.099 3.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 20.256 5.905 3.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 19.650 6.877 4.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 20.866 5.737 4.659 1.00 0.00 H new ATOM 2021 N THR A 138 14.606 5.128 9.939 1.00 0.00 N ATOM 2022 CA THR A 138 14.089 4.495 11.146 1.00 0.00 C ATOM 2023 C THR A 138 12.566 4.428 11.116 1.00 0.00 C ATOM 2024 O THR A 138 11.896 5.426 10.850 1.00 0.00 O ATOM 2025 CB THR A 138 14.554 5.258 12.388 1.00 0.00 C ATOM 2026 OG1 THR A 138 14.507 6.655 12.162 1.00 0.00 O ATOM 2027 CG2 THR A 138 15.963 4.907 12.813 1.00 0.00 C ATOM 0 H THR A 138 15.017 6.049 10.090 1.00 0.00 H new ATOM 0 HA THR A 138 14.478 3.478 11.187 1.00 0.00 H new ATOM 0 HB THR A 138 13.870 4.963 13.183 1.00 0.00 H new ATOM 0 HG1 THR A 138 13.693 6.879 11.664 1.00 0.00 H new ATOM 0 HG21 THR A 138 16.230 5.483 13.699 1.00 0.00 H new ATOM 0 HG22 THR A 138 16.020 3.843 13.041 1.00 0.00 H new ATOM 0 HG23 THR A 138 16.656 5.142 12.005 1.00 0.00 H new ATOM 2035 N ALA A 139 12.025 3.246 11.391 1.00 0.00 N ATOM 2036 CA ALA A 139 10.581 3.049 11.397 1.00 0.00 C ATOM 2037 C ALA A 139 10.058 2.862 12.817 1.00 0.00 C ATOM 2038 O ALA A 139 10.269 1.818 13.434 1.00 0.00 O ATOM 2039 CB ALA A 139 10.207 1.854 10.533 1.00 0.00 C ATOM 0 H ALA A 139 12.565 2.410 11.613 1.00 0.00 H new ATOM 0 HA ALA A 139 10.116 3.943 10.981 1.00 0.00 H new ATOM 0 HB1 ALA A 139 9.125 1.719 10.547 1.00 0.00 H new ATOM 0 HB2 ALA A 139 10.538 2.028 9.509 1.00 0.00 H new ATOM 0 HB3 ALA A 139 10.690 0.958 10.923 1.00 0.00 H new ATOM 2045 N GLY A 140 9.376 3.881 13.330 1.00 0.00 N ATOM 2046 CA GLY A 140 8.835 3.809 14.674 1.00 0.00 C ATOM 2047 C GLY A 140 7.626 2.898 14.764 1.00 0.00 C ATOM 2048 O GLY A 140 7.146 2.391 13.751 1.00 0.00 O ATOM 0 H GLY A 140 9.189 4.755 12.839 1.00 0.00 H new ATOM 0 HA2 GLY A 140 9.607 3.451 15.355 1.00 0.00 H new ATOM 0 HA3 GLY A 140 8.558 4.810 15.005 1.00 0.00 H new ATOM 2052 N GLU A 141 7.135 2.691 15.981 1.00 0.00 N ATOM 2053 CA GLU A 141 5.975 1.834 16.201 1.00 0.00 C ATOM 2054 C GLU A 141 4.726 2.436 15.564 1.00 0.00 C ATOM 2055 O GLU A 141 3.844 1.714 15.100 1.00 0.00 O ATOM 2056 CB GLU A 141 5.747 1.624 17.699 1.00 0.00 C ATOM 2057 CG GLU A 141 6.988 1.165 18.445 1.00 0.00 C ATOM 2058 CD GLU A 141 6.964 -0.319 18.759 1.00 0.00 C ATOM 2059 OE1 GLU A 141 7.055 -1.128 17.811 1.00 0.00 O ATOM 2060 OE2 GLU A 141 6.855 -0.672 19.951 1.00 0.00 O ATOM 0 H GLU A 141 7.521 3.104 16.830 1.00 0.00 H new ATOM 0 HA GLU A 141 6.172 0.870 15.732 1.00 0.00 H new ATOM 0 HB2 GLU A 141 5.393 2.557 18.138 1.00 0.00 H new ATOM 0 HB3 GLU A 141 4.956 0.887 17.838 1.00 0.00 H new ATOM 0 HG2 GLU A 141 7.871 1.392 17.848 1.00 0.00 H new ATOM 0 HG3 GLU A 141 7.078 1.728 19.374 1.00 0.00 H new ATOM 2067 N GLU A 142 4.660 3.763 15.545 1.00 0.00 N ATOM 2068 CA GLU A 142 3.520 4.463 14.963 1.00 0.00 C ATOM 2069 C GLU A 142 3.723 4.689 13.469 1.00 0.00 C ATOM 2070 O GLU A 142 2.764 4.722 12.698 1.00 0.00 O ATOM 2071 CB GLU A 142 3.304 5.804 15.668 1.00 0.00 C ATOM 2072 CG GLU A 142 4.557 6.661 15.741 1.00 0.00 C ATOM 2073 CD GLU A 142 4.289 8.115 15.408 1.00 0.00 C ATOM 2074 OE1 GLU A 142 3.273 8.658 15.893 1.00 0.00 O ATOM 2075 OE2 GLU A 142 5.094 8.712 14.663 1.00 0.00 O ATOM 0 H GLU A 142 5.382 4.375 15.925 1.00 0.00 H new ATOM 0 HA GLU A 142 2.636 3.840 15.101 1.00 0.00 H new ATOM 0 HB2 GLU A 142 2.524 6.358 15.145 1.00 0.00 H new ATOM 0 HB3 GLU A 142 2.941 5.619 16.679 1.00 0.00 H new ATOM 0 HG2 GLU A 142 4.981 6.594 16.743 1.00 0.00 H new ATOM 0 HG3 GLU A 142 5.304 6.266 15.052 1.00 0.00 H new ATOM 2082 N GLU A 143 4.981 4.845 13.066 1.00 0.00 N ATOM 2083 CA GLU A 143 5.313 5.068 11.663 1.00 0.00 C ATOM 2084 C GLU A 143 4.815 3.917 10.793 1.00 0.00 C ATOM 2085 O GLU A 143 4.545 4.097 9.605 1.00 0.00 O ATOM 2086 CB GLU A 143 6.826 5.234 11.498 1.00 0.00 C ATOM 2087 CG GLU A 143 7.239 6.626 11.048 1.00 0.00 C ATOM 2088 CD GLU A 143 8.659 6.972 11.449 1.00 0.00 C ATOM 2089 OE1 GLU A 143 8.852 7.474 12.577 1.00 0.00 O ATOM 2090 OE2 GLU A 143 9.579 6.739 10.637 1.00 0.00 O ATOM 0 H GLU A 143 5.787 4.821 13.691 1.00 0.00 H new ATOM 0 HA GLU A 143 4.816 5.982 11.338 1.00 0.00 H new ATOM 0 HB2 GLU A 143 7.314 5.008 12.446 1.00 0.00 H new ATOM 0 HB3 GLU A 143 7.186 4.505 10.773 1.00 0.00 H new ATOM 0 HG2 GLU A 143 7.144 6.696 9.964 1.00 0.00 H new ATOM 0 HG3 GLU A 143 6.556 7.360 11.476 1.00 0.00 H new ATOM 2097 N MET A 144 4.696 2.734 11.389 1.00 0.00 N ATOM 2098 CA MET A 144 4.232 1.555 10.664 1.00 0.00 C ATOM 2099 C MET A 144 2.860 1.800 10.045 1.00 0.00 C ATOM 2100 O MET A 144 2.154 2.734 10.423 1.00 0.00 O ATOM 2101 CB MET A 144 4.173 0.347 11.601 1.00 0.00 C ATOM 2102 CG MET A 144 5.513 -0.003 12.228 1.00 0.00 C ATOM 2103 SD MET A 144 6.350 -1.350 11.370 1.00 0.00 S ATOM 2104 CE MET A 144 8.054 -1.029 11.817 1.00 0.00 C ATOM 0 H MET A 144 4.914 2.566 12.371 1.00 0.00 H new ATOM 0 HA MET A 144 4.940 1.351 9.861 1.00 0.00 H new ATOM 0 HB2 MET A 144 3.452 0.547 12.393 1.00 0.00 H new ATOM 0 HB3 MET A 144 3.805 -0.516 11.045 1.00 0.00 H new ATOM 0 HG2 MET A 144 6.153 0.879 12.224 1.00 0.00 H new ATOM 0 HG3 MET A 144 5.360 -0.281 13.271 1.00 0.00 H new ATOM 0 HE1 MET A 144 8.575 -0.584 10.969 1.00 0.00 H new ATOM 0 HE2 MET A 144 8.085 -0.342 12.663 1.00 0.00 H new ATOM 0 HE3 MET A 144 8.541 -1.965 12.091 1.00 0.00 H new ATOM 2114 N ILE A 145 2.490 0.955 9.088 1.00 0.00 N ATOM 2115 CA ILE A 145 1.204 1.080 8.413 1.00 0.00 C ATOM 2116 C ILE A 145 0.498 -0.269 8.321 1.00 0.00 C ATOM 2117 O ILE A 145 1.021 -1.286 8.775 1.00 0.00 O ATOM 2118 CB ILE A 145 1.367 1.658 6.994 1.00 0.00 C ATOM 2119 CG1 ILE A 145 2.402 0.854 6.207 1.00 0.00 C ATOM 2120 CG2 ILE A 145 1.768 3.124 7.064 1.00 0.00 C ATOM 2121 CD1 ILE A 145 2.029 0.645 4.755 1.00 0.00 C ATOM 0 H ILE A 145 3.063 0.176 8.763 1.00 0.00 H new ATOM 0 HA ILE A 145 0.600 1.764 9.009 1.00 0.00 H new ATOM 0 HB ILE A 145 0.411 1.586 6.476 1.00 0.00 H new ATOM 0 HG12 ILE A 145 3.363 1.367 6.257 1.00 0.00 H new ATOM 0 HG13 ILE A 145 2.534 -0.118 6.683 1.00 0.00 H new ATOM 0 HG21 ILE A 145 1.880 3.519 6.054 1.00 0.00 H new ATOM 0 HG22 ILE A 145 0.998 3.687 7.591 1.00 0.00 H new ATOM 0 HG23 ILE A 145 2.714 3.217 7.597 1.00 0.00 H new ATOM 0 HD11 ILE A 145 2.809 0.067 4.259 1.00 0.00 H new ATOM 0 HD12 ILE A 145 1.084 0.105 4.696 1.00 0.00 H new ATOM 0 HD13 ILE A 145 1.925 1.612 4.263 1.00 0.00 H new ATOM 2133 N LYS A 146 -0.693 -0.269 7.730 1.00 0.00 N ATOM 2134 CA LYS A 146 -1.471 -1.493 7.577 1.00 0.00 C ATOM 2135 C LYS A 146 -2.087 -1.576 6.185 1.00 0.00 C ATOM 2136 O LYS A 146 -3.107 -0.944 5.908 1.00 0.00 O ATOM 2137 CB LYS A 146 -2.572 -1.559 8.639 1.00 0.00 C ATOM 2138 CG LYS A 146 -2.048 -1.479 10.064 1.00 0.00 C ATOM 2139 CD LYS A 146 -2.702 -2.520 10.958 1.00 0.00 C ATOM 2140 CE LYS A 146 -2.149 -3.911 10.690 1.00 0.00 C ATOM 2141 NZ LYS A 146 -2.836 -4.950 11.506 1.00 0.00 N ATOM 0 H LYS A 146 -1.140 0.565 7.349 1.00 0.00 H new ATOM 0 HA LYS A 146 -0.798 -2.340 7.708 1.00 0.00 H new ATOM 0 HB2 LYS A 146 -3.275 -0.743 8.473 1.00 0.00 H new ATOM 0 HB3 LYS A 146 -3.128 -2.488 8.517 1.00 0.00 H new ATOM 0 HG2 LYS A 146 -0.968 -1.625 10.064 1.00 0.00 H new ATOM 0 HG3 LYS A 146 -2.235 -0.483 10.466 1.00 0.00 H new ATOM 0 HD2 LYS A 146 -2.539 -2.258 12.003 1.00 0.00 H new ATOM 0 HD3 LYS A 146 -3.779 -2.518 10.793 1.00 0.00 H new ATOM 0 HE2 LYS A 146 -2.261 -4.148 9.632 1.00 0.00 H new ATOM 0 HE3 LYS A 146 -1.081 -3.925 10.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 -2.429 -5.883 11.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 -2.708 -4.739 12.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 -3.851 -4.955 11.279 1.00 0.00 H new ATOM 2155 N ILE A 147 -1.463 -2.360 5.313 1.00 0.00 N ATOM 2156 CA ILE A 147 -1.951 -2.526 3.949 1.00 0.00 C ATOM 2157 C ILE A 147 -3.037 -3.593 3.880 1.00 0.00 C ATOM 2158 O ILE A 147 -2.777 -4.774 4.110 1.00 0.00 O ATOM 2159 CB ILE A 147 -0.811 -2.906 2.985 1.00 0.00 C ATOM 2160 CG1 ILE A 147 0.380 -1.964 3.172 1.00 0.00 C ATOM 2161 CG2 ILE A 147 -1.301 -2.872 1.546 1.00 0.00 C ATOM 2162 CD1 ILE A 147 1.669 -2.495 2.584 1.00 0.00 C ATOM 0 H ILE A 147 -0.618 -2.891 5.526 1.00 0.00 H new ATOM 0 HA ILE A 147 -2.368 -1.566 3.644 1.00 0.00 H new ATOM 0 HB ILE A 147 -0.485 -3.921 3.213 1.00 0.00 H new ATOM 0 HG12 ILE A 147 0.149 -1.003 2.712 1.00 0.00 H new ATOM 0 HG13 ILE A 147 0.524 -1.781 4.237 1.00 0.00 H new ATOM 0 HG21 ILE A 147 -0.484 -3.143 0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 147 -2.120 -3.581 1.424 1.00 0.00 H new ATOM 0 HG23 ILE A 147 -1.650 -1.868 1.304 1.00 0.00 H new ATOM 0 HD11 ILE A 147 2.470 -1.775 2.754 1.00 0.00 H new ATOM 0 HD12 ILE A 147 1.924 -3.441 3.061 1.00 0.00 H new ATOM 0 HD13 ILE A 147 1.543 -2.652 1.513 1.00 0.00 H new ATOM 2174 N ARG A 148 -4.257 -3.169 3.563 1.00 0.00 N ATOM 2175 CA ARG A 148 -5.384 -4.088 3.464 1.00 0.00 C ATOM 2176 C ARG A 148 -5.787 -4.303 2.008 1.00 0.00 C ATOM 2177 O ARG A 148 -5.743 -3.376 1.200 1.00 0.00 O ATOM 2178 CB ARG A 148 -6.576 -3.553 4.260 1.00 0.00 C ATOM 2179 CG ARG A 148 -6.322 -3.474 5.758 1.00 0.00 C ATOM 2180 CD ARG A 148 -7.128 -2.358 6.401 1.00 0.00 C ATOM 2181 NE ARG A 148 -6.460 -1.810 7.579 1.00 0.00 N ATOM 2182 CZ ARG A 148 -6.471 -2.394 8.776 1.00 0.00 C ATOM 2183 NH1 ARG A 148 -7.114 -3.541 8.956 1.00 0.00 N ATOM 2184 NH2 ARG A 148 -5.836 -1.831 9.794 1.00 0.00 N ATOM 0 H ARG A 148 -4.489 -2.195 3.370 1.00 0.00 H new ATOM 0 HA ARG A 148 -5.076 -5.046 3.882 1.00 0.00 H new ATOM 0 HB2 ARG A 148 -6.833 -2.560 3.891 1.00 0.00 H new ATOM 0 HB3 ARG A 148 -7.439 -4.193 4.080 1.00 0.00 H new ATOM 0 HG2 ARG A 148 -6.581 -4.425 6.223 1.00 0.00 H new ATOM 0 HG3 ARG A 148 -5.260 -3.309 5.940 1.00 0.00 H new ATOM 0 HD2 ARG A 148 -7.291 -1.563 5.674 1.00 0.00 H new ATOM 0 HD3 ARG A 148 -8.110 -2.737 6.684 1.00 0.00 H new ATOM 0 HE ARG A 148 -5.956 -0.929 7.479 1.00 0.00 H new ATOM 0 HH11 ARG A 148 -7.603 -3.980 8.176 1.00 0.00 H new ATOM 0 HH12 ARG A 148 -7.119 -3.984 9.875 1.00 0.00 H new ATOM 0 HH21 ARG A 148 -5.339 -0.950 9.661 1.00 0.00 H new ATOM 0 HH22 ARG A 148 -5.845 -2.278 10.711 1.00 0.00 H new ATOM 2198 N SER A 149 -6.179 -5.531 1.682 1.00 0.00 N ATOM 2199 CA SER A 149 -6.590 -5.866 0.323 1.00 0.00 C ATOM 2200 C SER A 149 -8.049 -6.310 0.290 1.00 0.00 C ATOM 2201 O SER A 149 -8.543 -6.928 1.232 1.00 0.00 O ATOM 2202 CB SER A 149 -5.697 -6.970 -0.245 1.00 0.00 C ATOM 2203 OG SER A 149 -5.684 -6.938 -1.662 1.00 0.00 O ATOM 0 H SER A 149 -6.221 -6.310 2.340 1.00 0.00 H new ATOM 0 HA SER A 149 -6.486 -4.972 -0.292 1.00 0.00 H new ATOM 0 HB2 SER A 149 -4.682 -6.852 0.134 1.00 0.00 H new ATOM 0 HB3 SER A 149 -6.053 -7.942 0.097 1.00 0.00 H new ATOM 0 HG SER A 149 -6.114 -6.115 -1.975 1.00 0.00 H new ATOM 2209 N CYS A 150 -8.735 -5.988 -0.803 1.00 0.00 N ATOM 2210 CA CYS A 150 -10.137 -6.354 -0.961 1.00 0.00 C ATOM 2211 C CYS A 150 -10.296 -7.467 -1.992 1.00 0.00 C ATOM 2212 O CYS A 150 -11.291 -7.520 -2.714 1.00 0.00 O ATOM 2213 CB CYS A 150 -10.959 -5.135 -1.379 1.00 0.00 C ATOM 2214 SG CYS A 150 -10.474 -4.427 -2.971 1.00 0.00 S ATOM 0 H CYS A 150 -8.342 -5.474 -1.592 1.00 0.00 H new ATOM 0 HA CYS A 150 -10.502 -6.718 -0.001 1.00 0.00 H new ATOM 0 HB2 CYS A 150 -12.011 -5.418 -1.425 1.00 0.00 H new ATOM 0 HB3 CYS A 150 -10.868 -4.368 -0.610 1.00 0.00 H new ATOM 0 HG CYS A 150 -10.123 -3.186 -2.805 1.00 0.00 H new ATOM 2220 N ALA A 151 -9.307 -8.353 -2.056 1.00 0.00 N ATOM 2221 CA ALA A 151 -9.337 -9.464 -3.000 1.00 0.00 C ATOM 2222 C ALA A 151 -10.334 -10.531 -2.562 1.00 0.00 C ATOM 2223 O ALA A 151 -10.466 -10.821 -1.372 1.00 0.00 O ATOM 2224 CB ALA A 151 -7.948 -10.066 -3.148 1.00 0.00 C ATOM 0 H ALA A 151 -8.476 -8.323 -1.466 1.00 0.00 H new ATOM 0 HA ALA A 151 -9.660 -9.079 -3.967 1.00 0.00 H new ATOM 0 HB1 ALA A 151 -7.984 -10.894 -3.855 1.00 0.00 H new ATOM 0 HB2 ALA A 151 -7.259 -9.305 -3.515 1.00 0.00 H new ATOM 0 HB3 ALA A 151 -7.604 -10.430 -2.180 1.00 0.00 H new