USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 967 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 107 HIS :FLIP no HD1:sc= -0.128 F(o=-0.98,f=-0.31) USER MOD Set 1.2: A 111 ASN : amide:sc= -0.18 K(o=-0.31,f=-1.7!) USER MOD Set 2.1: A 36 MET CE :methyl -173:sc= -0.0825 (180deg=-0.145) USER MOD Set 2.2: A 51 MET CE :methyl -143:sc= -0.0874 (180deg=-0.817) USER MOD Set 3.1: A 5 THR OG1 : rot -25:sc= 1.03 USER MOD Set 3.2: A 8 GLN : amide:sc= 0.897 K(o=1.9,f=1.4) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 74:sc= 0.0244 USER MOD Single : A 21 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0818) USER MOD Single : A 26 THR OG1 : rot 70:sc= 1.28 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 82:sc= 0.464 USER MOD Single : A 38 SER OG : rot 77:sc= 0.648 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 42 ASN : amide:sc= -0.0334 X(o=-0.033,f=-0.033) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.449 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 60 ASN : amide:sc= -0.0102 X(o=-0.01,f=-0.14) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -166:sc= -0.233 (180deg=-0.563) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -170:sc= 0.325 (180deg=0.292) USER MOD Single : A 97 ASN : amide:sc= 0.282 K(o=0.28,f=-3.4!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.535 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 22:sc= 1.17 USER MOD Single : A 115 LYS NZ :NH3+ -143:sc=-0.00561 (180deg=-0.437) USER MOD Single : A 117 THR OG1 : rot -56:sc= 1.15 USER MOD Single : A 124 MET CE :methyl 178:sc= 0 (180deg=-0.00553) USER MOD Single : A 135 GLN : amide:sc= 0.0107 X(o=0.011,f=-0.0086) USER MOD Single : A 137 ASN : amide:sc= -2.47 K(o=-2.5,f=-9!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl -120:sc= -0.151 (180deg=-0.283) USER MOD Single : A 145 MET CE :methyl -133:sc= 0 (180deg=-0.202) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -14.301 18.085 1.334 1.00 0.00 N ATOM 59 CA THR A 5 -14.625 19.177 0.469 1.00 0.00 C ATOM 60 C THR A 5 -15.689 18.637 -0.423 1.00 0.00 C ATOM 61 O THR A 5 -15.689 17.414 -0.559 1.00 0.00 O ATOM 62 CB THR A 5 -13.454 19.690 -0.316 1.00 0.00 C ATOM 63 OG1 THR A 5 -12.790 18.578 -0.898 1.00 0.00 O ATOM 64 CG2 THR A 5 -12.378 20.325 0.581 1.00 0.00 C ATOM 0 HA THR A 5 -14.949 20.046 1.042 1.00 0.00 H new ATOM 0 HB THR A 5 -13.848 20.416 -1.026 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.976 17.773 -0.371 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.553 20.680 -0.036 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.809 21.164 1.128 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.009 19.582 1.288 1.00 0.00 H new ATOM 72 N GLU A 6 -16.445 19.464 -1.166 1.00 0.00 N ATOM 73 CA GLU A 6 -17.424 19.128 -2.153 1.00 0.00 C ATOM 74 C GLU A 6 -16.935 18.103 -3.117 1.00 0.00 C ATOM 75 O GLU A 6 -17.644 17.121 -3.333 1.00 0.00 O ATOM 76 CB GLU A 6 -18.118 20.351 -2.775 1.00 0.00 C ATOM 77 CG GLU A 6 -19.327 19.993 -3.641 1.00 0.00 C ATOM 78 CD GLU A 6 -19.965 21.209 -4.297 1.00 0.00 C ATOM 79 OE1 GLU A 6 -19.561 22.333 -3.897 1.00 0.00 O ATOM 80 OE2 GLU A 6 -20.734 21.043 -5.282 1.00 0.00 O ATOM 0 H GLU A 6 -16.359 20.475 -1.062 1.00 0.00 H new ATOM 0 HA GLU A 6 -18.240 18.631 -1.628 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -18.438 21.021 -1.977 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.396 20.899 -3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -19.018 19.289 -4.414 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -20.071 19.486 -3.026 1.00 0.00 H new ATOM 87 N GLU A 7 -15.752 18.310 -3.723 1.00 0.00 N ATOM 88 CA GLU A 7 -15.270 17.382 -4.699 1.00 0.00 C ATOM 89 C GLU A 7 -14.912 16.033 -4.177 1.00 0.00 C ATOM 90 O GLU A 7 -15.074 14.989 -4.807 1.00 0.00 O ATOM 91 CB GLU A 7 -14.068 18.059 -5.378 1.00 0.00 C ATOM 92 CG GLU A 7 -14.216 19.384 -6.130 1.00 0.00 C ATOM 93 CD GLU A 7 -12.857 19.830 -6.649 1.00 0.00 C ATOM 94 OE1 GLU A 7 -12.129 19.071 -7.343 1.00 0.00 O ATOM 95 OE2 GLU A 7 -12.438 20.977 -6.337 1.00 0.00 O ATOM 0 H GLU A 7 -15.139 19.105 -3.542 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.079 17.165 -5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.315 18.215 -4.606 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.656 17.338 -6.084 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.913 19.267 -6.960 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.632 20.145 -5.469 1.00 0.00 H new ATOM 102 N GLN A 8 -14.372 15.917 -2.950 1.00 0.00 N ATOM 103 CA GLN A 8 -13.968 14.696 -2.326 1.00 0.00 C ATOM 104 C GLN A 8 -15.152 13.915 -1.869 1.00 0.00 C ATOM 105 O GLN A 8 -15.146 12.713 -2.130 1.00 0.00 O ATOM 106 CB GLN A 8 -12.946 14.940 -1.203 1.00 0.00 C ATOM 107 CG GLN A 8 -11.620 15.526 -1.693 1.00 0.00 C ATOM 108 CD GLN A 8 -10.640 15.779 -0.557 1.00 0.00 C ATOM 109 OE1 GLN A 8 -10.001 14.883 -0.007 1.00 0.00 O ATOM 110 NE2 GLN A 8 -10.574 17.069 -0.132 1.00 0.00 N ATOM 0 H GLN A 8 -14.208 16.730 -2.356 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.455 14.089 -3.072 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.382 15.616 -0.468 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.749 13.998 -0.692 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.169 14.843 -2.413 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.812 16.462 -2.218 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -11.115 17.791 -0.608 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.983 17.315 0.662 1.00 0.00 H new ATOM 119 N ILE A 9 -16.193 14.518 -1.267 1.00 0.00 N ATOM 120 CA ILE A 9 -17.528 14.019 -1.150 1.00 0.00 C ATOM 121 C ILE A 9 -17.977 13.471 -2.460 1.00 0.00 C ATOM 122 O ILE A 9 -18.402 12.321 -2.561 1.00 0.00 O ATOM 123 CB ILE A 9 -18.538 14.896 -0.472 1.00 0.00 C ATOM 124 CG1 ILE A 9 -18.198 15.386 0.946 1.00 0.00 C ATOM 125 CG2 ILE A 9 -19.965 14.322 -0.439 1.00 0.00 C ATOM 126 CD1 ILE A 9 -18.711 16.805 1.188 1.00 0.00 C ATOM 0 H ILE A 9 -16.090 15.432 -0.825 1.00 0.00 H new ATOM 0 HA ILE A 9 -17.469 13.210 -0.422 1.00 0.00 H new ATOM 0 HB ILE A 9 -18.493 15.760 -1.135 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -18.636 14.710 1.680 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -17.118 15.359 1.092 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -20.627 15.023 0.070 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -20.317 14.164 -1.458 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -19.963 13.372 0.095 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -18.453 17.118 2.200 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -18.253 17.485 0.470 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -19.794 16.826 1.067 1.00 0.00 H new ATOM 138 N ALA A 10 -17.850 14.270 -3.535 1.00 0.00 N ATOM 139 CA ALA A 10 -18.257 13.916 -4.859 1.00 0.00 C ATOM 140 C ALA A 10 -17.704 12.627 -5.360 1.00 0.00 C ATOM 141 O ALA A 10 -18.430 11.688 -5.681 1.00 0.00 O ATOM 142 CB ALA A 10 -18.014 14.968 -5.955 1.00 0.00 C ATOM 0 H ALA A 10 -17.445 15.205 -3.478 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.331 13.829 -4.697 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.364 14.583 -6.913 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -18.557 15.881 -5.710 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -16.948 15.187 -6.019 1.00 0.00 H new ATOM 148 N GLU A 11 -16.372 12.491 -5.228 1.00 0.00 N ATOM 149 CA GLU A 11 -15.665 11.292 -5.555 1.00 0.00 C ATOM 150 C GLU A 11 -16.152 10.149 -4.732 1.00 0.00 C ATOM 151 O GLU A 11 -16.619 9.181 -5.329 1.00 0.00 O ATOM 152 CB GLU A 11 -14.137 11.398 -5.411 1.00 0.00 C ATOM 153 CG GLU A 11 -13.606 12.445 -6.392 1.00 0.00 C ATOM 154 CD GLU A 11 -12.088 12.529 -6.325 1.00 0.00 C ATOM 155 OE1 GLU A 11 -11.607 13.043 -5.279 1.00 0.00 O ATOM 156 OE2 GLU A 11 -11.411 12.100 -7.297 1.00 0.00 O ATOM 0 H GLU A 11 -15.769 13.238 -4.883 1.00 0.00 H new ATOM 0 HA GLU A 11 -15.873 11.122 -6.611 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.875 11.675 -4.390 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.674 10.431 -5.608 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.916 12.190 -7.405 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.039 13.418 -6.161 1.00 0.00 H new ATOM 163 N PHE A 12 -16.240 10.243 -3.393 1.00 0.00 N ATOM 164 CA PHE A 12 -16.654 9.147 -2.573 1.00 0.00 C ATOM 165 C PHE A 12 -18.099 8.831 -2.756 1.00 0.00 C ATOM 166 O PHE A 12 -18.476 7.667 -2.636 1.00 0.00 O ATOM 167 CB PHE A 12 -16.269 9.345 -1.097 1.00 0.00 C ATOM 168 CG PHE A 12 -14.793 9.489 -0.950 1.00 0.00 C ATOM 169 CD1 PHE A 12 -13.950 8.462 -1.302 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.306 10.572 -0.256 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.600 8.591 -1.075 1.00 0.00 C ATOM 172 CE2 PHE A 12 -12.966 10.690 0.028 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.120 9.710 -0.436 1.00 0.00 C ATOM 0 H PHE A 12 -16.021 11.092 -2.872 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.102 8.270 -2.911 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.766 10.231 -0.702 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.616 8.496 -0.509 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.344 7.563 -1.752 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -14.988 11.343 0.071 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.920 7.817 -1.397 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.589 11.526 0.598 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.055 9.822 -0.295 1.00 0.00 H new ATOM 183 N LYS A 13 -19.067 9.733 -2.995 1.00 0.00 N ATOM 184 CA LYS A 13 -20.430 9.391 -3.261 1.00 0.00 C ATOM 185 C LYS A 13 -20.640 8.726 -4.578 1.00 0.00 C ATOM 186 O LYS A 13 -21.424 7.788 -4.711 1.00 0.00 O ATOM 187 CB LYS A 13 -21.347 10.611 -3.068 1.00 0.00 C ATOM 188 CG LYS A 13 -22.839 10.272 -3.057 1.00 0.00 C ATOM 189 CD LYS A 13 -23.672 11.352 -2.365 1.00 0.00 C ATOM 190 CE LYS A 13 -23.540 12.759 -2.953 1.00 0.00 C ATOM 191 NZ LYS A 13 -24.493 13.708 -2.335 1.00 0.00 N ATOM 0 H LYS A 13 -18.894 10.738 -3.003 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.708 8.637 -2.525 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -21.089 11.102 -2.129 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -21.154 11.328 -3.866 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.189 10.147 -4.082 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -22.990 9.319 -2.550 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -24.721 11.058 -2.402 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -23.388 11.388 -1.313 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -22.522 13.120 -2.806 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -23.712 12.720 -4.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -24.371 14.649 -2.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -25.466 13.378 -2.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -24.312 13.765 -1.312 1.00 0.00 H new ATOM 205 N GLU A 14 -19.907 9.101 -5.641 1.00 0.00 N ATOM 206 CA GLU A 14 -19.886 8.528 -6.951 1.00 0.00 C ATOM 207 C GLU A 14 -19.308 7.156 -6.888 1.00 0.00 C ATOM 208 O GLU A 14 -19.916 6.279 -7.499 1.00 0.00 O ATOM 209 CB GLU A 14 -19.210 9.493 -7.940 1.00 0.00 C ATOM 210 CG GLU A 14 -19.447 9.125 -9.406 1.00 0.00 C ATOM 211 CD GLU A 14 -19.076 10.202 -10.416 1.00 0.00 C ATOM 212 OE1 GLU A 14 -17.897 10.643 -10.469 1.00 0.00 O ATOM 213 OE2 GLU A 14 -19.898 10.570 -11.297 1.00 0.00 O ATOM 0 H GLU A 14 -19.262 9.888 -5.573 1.00 0.00 H new ATOM 0 HA GLU A 14 -20.895 8.395 -7.342 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.581 10.502 -7.762 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -18.138 9.508 -7.746 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -18.877 8.225 -9.634 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -20.500 8.876 -9.535 1.00 0.00 H new ATOM 220 N ALA A 15 -18.261 6.916 -6.079 1.00 0.00 N ATOM 221 CA ALA A 15 -17.661 5.631 -5.902 1.00 0.00 C ATOM 222 C ALA A 15 -18.575 4.732 -5.143 1.00 0.00 C ATOM 223 O ALA A 15 -18.614 3.533 -5.414 1.00 0.00 O ATOM 224 CB ALA A 15 -16.365 5.810 -5.093 1.00 0.00 C ATOM 0 H ALA A 15 -17.815 7.647 -5.526 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.457 5.190 -6.878 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.891 4.840 -4.946 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.686 6.468 -5.635 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.599 6.250 -4.123 1.00 0.00 H new ATOM 230 N PHE A 16 -19.417 5.235 -4.222 1.00 0.00 N ATOM 231 CA PHE A 16 -20.453 4.482 -3.587 1.00 0.00 C ATOM 232 C PHE A 16 -21.357 3.927 -4.634 1.00 0.00 C ATOM 233 O PHE A 16 -21.698 2.745 -4.648 1.00 0.00 O ATOM 234 CB PHE A 16 -21.233 5.235 -2.497 1.00 0.00 C ATOM 235 CG PHE A 16 -21.964 4.330 -1.566 1.00 0.00 C ATOM 236 CD1 PHE A 16 -23.165 3.770 -1.933 1.00 0.00 C ATOM 237 CD2 PHE A 16 -21.302 3.931 -0.429 1.00 0.00 C ATOM 238 CE1 PHE A 16 -23.672 2.838 -1.058 1.00 0.00 C ATOM 239 CE2 PHE A 16 -21.883 3.087 0.487 1.00 0.00 C ATOM 240 CZ PHE A 16 -23.124 2.581 0.177 1.00 0.00 C ATOM 0 H PHE A 16 -19.374 6.204 -3.908 1.00 0.00 H new ATOM 0 HA PHE A 16 -19.966 3.675 -3.039 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.540 5.852 -1.924 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -21.945 5.911 -2.970 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -23.675 4.043 -2.845 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -20.299 4.290 -0.251 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -24.546 2.279 -1.356 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -21.386 2.832 1.411 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.664 1.986 0.898 1.00 0.00 H new ATOM 250 N SER A 17 -21.906 4.838 -5.456 1.00 0.00 N ATOM 251 CA SER A 17 -22.918 4.560 -6.428 1.00 0.00 C ATOM 252 C SER A 17 -22.493 3.855 -7.670 1.00 0.00 C ATOM 253 O SER A 17 -23.286 3.101 -8.232 1.00 0.00 O ATOM 254 CB SER A 17 -23.714 5.796 -6.882 1.00 0.00 C ATOM 255 OG SER A 17 -24.226 6.459 -5.736 1.00 0.00 O ATOM 0 H SER A 17 -21.630 5.820 -5.442 1.00 0.00 H new ATOM 0 HA SER A 17 -23.536 3.878 -5.844 1.00 0.00 H new ATOM 0 HB2 SER A 17 -23.073 6.469 -7.452 1.00 0.00 H new ATOM 0 HB3 SER A 17 -24.529 5.498 -7.541 1.00 0.00 H new ATOM 0 HG SER A 17 -23.499 6.931 -5.279 1.00 0.00 H new ATOM 261 N LEU A 18 -21.201 3.874 -8.042 1.00 0.00 N ATOM 262 CA LEU A 18 -20.550 2.873 -8.830 1.00 0.00 C ATOM 263 C LEU A 18 -20.391 1.553 -8.158 1.00 0.00 C ATOM 264 O LEU A 18 -20.674 0.495 -8.718 1.00 0.00 O ATOM 265 CB LEU A 18 -19.250 3.414 -9.448 1.00 0.00 C ATOM 266 CG LEU A 18 -19.449 4.175 -10.770 1.00 0.00 C ATOM 267 CD1 LEU A 18 -19.925 5.627 -10.599 1.00 0.00 C ATOM 268 CD2 LEU A 18 -18.123 4.168 -11.549 1.00 0.00 C ATOM 0 H LEU A 18 -20.574 4.633 -7.777 1.00 0.00 H new ATOM 0 HA LEU A 18 -21.230 2.647 -9.651 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -18.768 4.077 -8.729 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -18.569 2.581 -9.620 1.00 0.00 H new ATOM 0 HG LEU A 18 -20.242 3.657 -11.310 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -20.040 6.090 -11.579 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -20.883 5.637 -10.078 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -19.190 6.185 -10.018 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -18.250 4.705 -12.489 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -17.350 4.655 -10.955 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -17.828 3.139 -11.756 1.00 0.00 H new ATOM 280 N PHE A 19 -20.006 1.487 -6.871 1.00 0.00 N ATOM 281 CA PHE A 19 -19.711 0.251 -6.215 1.00 0.00 C ATOM 282 C PHE A 19 -20.935 -0.574 -6.014 1.00 0.00 C ATOM 283 O PHE A 19 -21.199 -1.714 -6.393 1.00 0.00 O ATOM 284 CB PHE A 19 -18.965 0.368 -4.875 1.00 0.00 C ATOM 285 CG PHE A 19 -17.994 -0.727 -4.598 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.422 -1.920 -4.065 1.00 0.00 C ATOM 287 CD2 PHE A 19 -16.637 -0.600 -4.784 1.00 0.00 C ATOM 288 CE1 PHE A 19 -17.527 -2.884 -3.664 1.00 0.00 C ATOM 289 CE2 PHE A 19 -15.725 -1.512 -4.310 1.00 0.00 C ATOM 290 CZ PHE A 19 -16.177 -2.624 -3.638 1.00 0.00 C ATOM 0 H PHE A 19 -19.898 2.307 -6.275 1.00 0.00 H new ATOM 0 HA PHE A 19 -19.025 -0.238 -6.907 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -18.433 1.319 -4.854 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.698 0.396 -4.069 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -19.481 -2.103 -3.959 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -16.271 0.258 -5.329 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -17.889 -3.857 -3.366 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -14.667 -1.358 -4.463 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.494 -3.271 -3.108 1.00 0.00 H new ATOM 300 N ASP A 20 -21.871 0.029 -5.259 1.00 0.00 N ATOM 301 CA ASP A 20 -23.179 -0.532 -5.116 1.00 0.00 C ATOM 302 C ASP A 20 -24.086 -0.244 -6.262 1.00 0.00 C ATOM 303 O ASP A 20 -24.338 0.859 -6.745 1.00 0.00 O ATOM 304 CB ASP A 20 -23.941 0.003 -3.891 1.00 0.00 C ATOM 305 CG ASP A 20 -24.857 -1.065 -3.313 1.00 0.00 C ATOM 306 OD1 ASP A 20 -24.490 -2.255 -3.117 1.00 0.00 O ATOM 307 OD2 ASP A 20 -26.070 -0.786 -3.114 1.00 0.00 O ATOM 0 H ASP A 20 -21.724 0.900 -4.750 1.00 0.00 H new ATOM 0 HA ASP A 20 -22.963 -1.597 -5.033 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -23.232 0.330 -3.131 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -24.528 0.876 -4.176 1.00 0.00 H new ATOM 312 N LYS A 21 -24.602 -1.399 -6.721 1.00 0.00 N ATOM 313 CA LYS A 21 -25.383 -1.471 -7.917 1.00 0.00 C ATOM 314 C LYS A 21 -26.850 -1.303 -7.720 1.00 0.00 C ATOM 315 O LYS A 21 -27.494 -0.478 -8.367 1.00 0.00 O ATOM 316 CB LYS A 21 -25.175 -2.874 -8.510 1.00 0.00 C ATOM 317 CG LYS A 21 -25.763 -3.056 -9.911 1.00 0.00 C ATOM 318 CD LYS A 21 -25.446 -4.465 -10.416 1.00 0.00 C ATOM 319 CE LYS A 21 -26.275 -4.942 -11.610 1.00 0.00 C ATOM 320 NZ LYS A 21 -26.095 -3.981 -12.721 1.00 0.00 N ATOM 0 H LYS A 21 -24.475 -2.297 -6.254 1.00 0.00 H new ATOM 0 HA LYS A 21 -25.051 -0.651 -8.554 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -24.106 -3.086 -8.546 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -25.623 -3.609 -7.842 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -26.842 -2.900 -9.888 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -25.348 -2.312 -10.591 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -24.392 -4.505 -10.690 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -25.589 -5.167 -9.594 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -25.959 -5.939 -11.917 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -27.328 -5.012 -11.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -26.555 -4.350 -13.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -26.523 -3.069 -12.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -25.080 -3.848 -12.904 1.00 0.00 H new ATOM 334 N ASP A 22 -27.413 -2.022 -6.732 1.00 0.00 N ATOM 335 CA ASP A 22 -28.798 -2.076 -6.382 1.00 0.00 C ATOM 336 C ASP A 22 -29.350 -0.859 -5.722 1.00 0.00 C ATOM 337 O ASP A 22 -30.440 -0.383 -6.032 1.00 0.00 O ATOM 338 CB ASP A 22 -28.973 -3.360 -5.555 1.00 0.00 C ATOM 339 CG ASP A 22 -27.976 -3.561 -4.423 1.00 0.00 C ATOM 340 OD1 ASP A 22 -26.753 -3.701 -4.690 1.00 0.00 O ATOM 341 OD2 ASP A 22 -28.457 -3.586 -3.258 1.00 0.00 O ATOM 0 H ASP A 22 -26.847 -2.617 -6.127 1.00 0.00 H new ATOM 0 HA ASP A 22 -29.397 -2.100 -7.292 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -29.978 -3.364 -5.133 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -28.907 -4.215 -6.228 1.00 0.00 H new ATOM 346 N GLY A 23 -28.615 -0.117 -4.875 1.00 0.00 N ATOM 347 CA GLY A 23 -29.009 1.190 -4.447 1.00 0.00 C ATOM 348 C GLY A 23 -29.856 1.332 -3.230 1.00 0.00 C ATOM 349 O GLY A 23 -30.646 2.269 -3.126 1.00 0.00 O ATOM 0 H GLY A 23 -27.729 -0.431 -4.479 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -28.100 1.769 -4.284 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -29.542 1.659 -5.274 1.00 0.00 H new ATOM 353 N ASP A 24 -29.616 0.416 -2.275 1.00 0.00 N ATOM 354 CA ASP A 24 -30.375 0.393 -1.063 1.00 0.00 C ATOM 355 C ASP A 24 -29.749 1.300 -0.059 1.00 0.00 C ATOM 356 O ASP A 24 -30.425 1.823 0.826 1.00 0.00 O ATOM 357 CB ASP A 24 -30.413 -1.031 -0.482 1.00 0.00 C ATOM 358 CG ASP A 24 -29.088 -1.770 -0.357 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.201 -1.702 -1.249 1.00 0.00 O ATOM 360 OD2 ASP A 24 -28.824 -2.289 0.760 1.00 0.00 O ATOM 0 H ASP A 24 -28.899 -0.306 -2.341 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.390 0.723 -1.286 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -30.865 -0.979 0.509 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.077 -1.631 -1.104 1.00 0.00 H new ATOM 365 N GLY A 25 -28.472 1.656 -0.281 1.00 0.00 N ATOM 366 CA GLY A 25 -27.831 2.402 0.757 1.00 0.00 C ATOM 367 C GLY A 25 -26.825 1.560 1.465 1.00 0.00 C ATOM 368 O GLY A 25 -26.170 2.030 2.393 1.00 0.00 O ATOM 0 H GLY A 25 -27.917 1.449 -1.111 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.344 3.280 0.333 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -28.576 2.762 1.467 1.00 0.00 H new ATOM 372 N THR A 26 -26.692 0.274 1.093 1.00 0.00 N ATOM 373 CA THR A 26 -25.706 -0.553 1.716 1.00 0.00 C ATOM 374 C THR A 26 -25.027 -1.512 0.799 1.00 0.00 C ATOM 375 O THR A 26 -25.642 -1.849 -0.212 1.00 0.00 O ATOM 376 CB THR A 26 -26.202 -1.386 2.860 1.00 0.00 C ATOM 377 OG1 THR A 26 -27.619 -1.471 2.833 1.00 0.00 O ATOM 378 CG2 THR A 26 -25.820 -0.649 4.155 1.00 0.00 C ATOM 0 H THR A 26 -27.254 -0.186 0.376 1.00 0.00 H new ATOM 0 HA THR A 26 -25.012 0.209 2.070 1.00 0.00 H new ATOM 0 HB THR A 26 -25.772 -2.386 2.798 1.00 0.00 H new ATOM 0 HG1 THR A 26 -27.899 -2.017 2.069 1.00 0.00 H new ATOM 0 HG21 THR A 26 -26.164 -1.223 5.015 1.00 0.00 H new ATOM 0 HG22 THR A 26 -24.737 -0.536 4.203 1.00 0.00 H new ATOM 0 HG23 THR A 26 -26.288 0.335 4.165 1.00 0.00 H new ATOM 386 N ILE A 27 -23.803 -1.931 1.164 1.00 0.00 N ATOM 387 CA ILE A 27 -23.090 -2.879 0.365 1.00 0.00 C ATOM 388 C ILE A 27 -22.821 -4.134 1.122 1.00 0.00 C ATOM 389 O ILE A 27 -22.278 -4.074 2.224 1.00 0.00 O ATOM 390 CB ILE A 27 -21.870 -2.337 -0.319 1.00 0.00 C ATOM 391 CG1 ILE A 27 -22.090 -0.838 -0.587 1.00 0.00 C ATOM 392 CG2 ILE A 27 -21.755 -3.199 -1.587 1.00 0.00 C ATOM 393 CD1 ILE A 27 -21.091 -0.205 -1.555 1.00 0.00 C ATOM 0 H ILE A 27 -23.311 -1.619 2.001 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.759 -3.125 -0.460 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.943 -2.392 0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -23.096 -0.698 -0.983 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -22.043 -0.303 0.362 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -20.887 -2.882 -2.165 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -21.642 -4.246 -1.306 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -22.655 -3.081 -2.190 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -21.326 0.852 -1.681 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -20.082 -0.307 -1.155 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -21.151 -0.708 -2.520 1.00 0.00 H new ATOM 405 N THR A 28 -23.220 -5.306 0.595 1.00 0.00 N ATOM 406 CA THR A 28 -23.023 -6.552 1.268 1.00 0.00 C ATOM 407 C THR A 28 -21.755 -7.239 0.891 1.00 0.00 C ATOM 408 O THR A 28 -21.068 -6.892 -0.068 1.00 0.00 O ATOM 409 CB THR A 28 -24.134 -7.533 1.040 1.00 0.00 C ATOM 410 OG1 THR A 28 -24.183 -8.008 -0.298 1.00 0.00 O ATOM 411 CG2 THR A 28 -25.416 -6.770 1.414 1.00 0.00 C ATOM 0 H THR A 28 -23.685 -5.390 -0.309 1.00 0.00 H new ATOM 0 HA THR A 28 -22.989 -6.260 2.318 1.00 0.00 H new ATOM 0 HB THR A 28 -23.994 -8.431 1.642 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.922 -8.644 -0.392 1.00 0.00 H new ATOM 0 HG21 THR A 28 -26.280 -7.420 1.275 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.362 -6.457 2.457 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.516 -5.892 0.776 1.00 0.00 H new ATOM 419 N THR A 29 -21.363 -8.275 1.654 1.00 0.00 N ATOM 420 CA THR A 29 -20.242 -9.094 1.310 1.00 0.00 C ATOM 421 C THR A 29 -20.344 -9.751 -0.023 1.00 0.00 C ATOM 422 O THR A 29 -19.324 -9.810 -0.707 1.00 0.00 O ATOM 423 CB THR A 29 -19.926 -10.101 2.375 1.00 0.00 C ATOM 424 OG1 THR A 29 -21.059 -10.842 2.804 1.00 0.00 O ATOM 425 CG2 THR A 29 -19.135 -9.362 3.467 1.00 0.00 C ATOM 0 H THR A 29 -21.829 -8.548 2.519 1.00 0.00 H new ATOM 0 HA THR A 29 -19.410 -8.394 1.237 1.00 0.00 H new ATOM 0 HB THR A 29 -19.297 -10.904 1.990 1.00 0.00 H new ATOM 0 HG1 THR A 29 -20.789 -11.481 3.496 1.00 0.00 H new ATOM 0 HG21 THR A 29 -18.882 -10.058 4.267 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.220 -8.952 3.039 1.00 0.00 H new ATOM 0 HG23 THR A 29 -19.742 -8.551 3.870 1.00 0.00 H new ATOM 433 N LYS A 30 -21.566 -10.170 -0.399 1.00 0.00 N ATOM 434 CA LYS A 30 -21.896 -10.761 -1.659 1.00 0.00 C ATOM 435 C LYS A 30 -21.783 -9.800 -2.792 1.00 0.00 C ATOM 436 O LYS A 30 -21.627 -10.211 -3.941 1.00 0.00 O ATOM 437 CB LYS A 30 -23.333 -11.310 -1.667 1.00 0.00 C ATOM 438 CG LYS A 30 -23.448 -12.317 -0.520 1.00 0.00 C ATOM 439 CD LYS A 30 -24.686 -13.204 -0.663 1.00 0.00 C ATOM 440 CE LYS A 30 -25.131 -13.869 0.642 1.00 0.00 C ATOM 441 NZ LYS A 30 -25.947 -12.969 1.487 1.00 0.00 N ATOM 0 H LYS A 30 -22.375 -10.090 0.217 1.00 0.00 H new ATOM 0 HA LYS A 30 -21.175 -11.567 -1.792 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -24.053 -10.501 -1.541 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -23.555 -11.788 -2.621 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -22.555 -12.941 -0.494 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -23.491 -11.783 0.429 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -25.508 -12.603 -1.051 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -24.482 -13.979 -1.402 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -25.706 -14.766 0.411 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -24.252 -14.189 1.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -26.223 -13.466 2.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -25.392 -12.124 1.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -26.801 -12.683 0.966 1.00 0.00 H new ATOM 455 N GLU A 31 -21.879 -8.496 -2.476 1.00 0.00 N ATOM 456 CA GLU A 31 -21.717 -7.429 -3.414 1.00 0.00 C ATOM 457 C GLU A 31 -20.288 -7.034 -3.562 1.00 0.00 C ATOM 458 O GLU A 31 -19.864 -6.765 -4.685 1.00 0.00 O ATOM 459 CB GLU A 31 -22.593 -6.227 -3.023 1.00 0.00 C ATOM 460 CG GLU A 31 -24.085 -6.514 -3.200 1.00 0.00 C ATOM 461 CD GLU A 31 -25.081 -5.693 -2.393 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.674 -4.816 -1.584 1.00 0.00 O ATOM 463 OE2 GLU A 31 -26.327 -5.748 -2.573 1.00 0.00 O ATOM 0 H GLU A 31 -22.077 -8.172 -1.529 1.00 0.00 H new ATOM 0 HA GLU A 31 -22.049 -7.790 -4.388 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.397 -5.960 -1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.316 -5.366 -3.631 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -24.325 -6.384 -4.255 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -24.251 -7.565 -2.963 1.00 0.00 H new ATOM 470 N LEU A 32 -19.455 -6.931 -2.512 1.00 0.00 N ATOM 471 CA LEU A 32 -18.031 -6.807 -2.561 1.00 0.00 C ATOM 472 C LEU A 32 -17.475 -7.976 -3.299 1.00 0.00 C ATOM 473 O LEU A 32 -16.704 -7.847 -4.249 1.00 0.00 O ATOM 474 CB LEU A 32 -17.500 -6.774 -1.118 1.00 0.00 C ATOM 475 CG LEU A 32 -17.475 -5.370 -0.491 1.00 0.00 C ATOM 476 CD1 LEU A 32 -18.758 -4.523 -0.539 1.00 0.00 C ATOM 477 CD2 LEU A 32 -16.917 -5.352 0.942 1.00 0.00 C ATOM 0 H LEU A 32 -19.806 -6.935 -1.554 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.733 -5.893 -3.074 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.118 -7.425 -0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.490 -7.185 -1.104 1.00 0.00 H new ATOM 0 HG LEU A 32 -16.791 -4.878 -1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -18.578 -3.562 -0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -19.047 -4.359 -1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -19.559 -5.046 -0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -16.928 -4.331 1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -17.533 -5.985 1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.894 -5.727 0.939 1.00 0.00 H new ATOM 489 N GLY A 33 -17.884 -9.185 -2.877 1.00 0.00 N ATOM 490 CA GLY A 33 -17.502 -10.451 -3.422 1.00 0.00 C ATOM 491 C GLY A 33 -17.690 -10.543 -4.897 1.00 0.00 C ATOM 492 O GLY A 33 -16.812 -11.067 -5.581 1.00 0.00 O ATOM 0 H GLY A 33 -18.531 -9.284 -2.095 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.455 -10.639 -3.185 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -18.084 -11.236 -2.940 1.00 0.00 H new ATOM 496 N THR A 34 -18.758 -9.977 -5.488 1.00 0.00 N ATOM 497 CA THR A 34 -18.905 -9.759 -6.893 1.00 0.00 C ATOM 498 C THR A 34 -18.151 -8.608 -7.466 1.00 0.00 C ATOM 499 O THR A 34 -17.487 -8.761 -8.490 1.00 0.00 O ATOM 500 CB THR A 34 -20.354 -9.753 -7.279 1.00 0.00 C ATOM 501 OG1 THR A 34 -21.042 -10.899 -6.800 1.00 0.00 O ATOM 502 CG2 THR A 34 -20.504 -9.688 -8.808 1.00 0.00 C ATOM 0 H THR A 34 -19.564 -9.653 -4.954 1.00 0.00 H new ATOM 0 HA THR A 34 -18.415 -10.613 -7.360 1.00 0.00 H new ATOM 0 HB THR A 34 -20.796 -8.869 -6.819 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.292 -10.762 -5.862 1.00 0.00 H new ATOM 0 HG21 THR A 34 -21.562 -9.685 -9.070 1.00 0.00 H new ATOM 0 HG22 THR A 34 -20.035 -8.778 -9.181 1.00 0.00 H new ATOM 0 HG23 THR A 34 -20.022 -10.556 -9.258 1.00 0.00 H new ATOM 510 N VAL A 35 -18.218 -7.418 -6.844 1.00 0.00 N ATOM 511 CA VAL A 35 -17.610 -6.235 -7.371 1.00 0.00 C ATOM 512 C VAL A 35 -16.130 -6.366 -7.479 1.00 0.00 C ATOM 513 O VAL A 35 -15.593 -6.089 -8.551 1.00 0.00 O ATOM 514 CB VAL A 35 -18.079 -4.987 -6.684 1.00 0.00 C ATOM 515 CG1 VAL A 35 -17.120 -3.802 -6.885 1.00 0.00 C ATOM 516 CG2 VAL A 35 -19.530 -4.734 -7.126 1.00 0.00 C ATOM 0 H VAL A 35 -18.703 -7.274 -5.959 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.958 -6.122 -8.398 1.00 0.00 H new ATOM 0 HB VAL A 35 -18.070 -5.114 -5.602 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -17.510 -2.926 -6.366 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -16.139 -4.055 -6.483 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -17.030 -3.583 -7.949 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -19.905 -3.831 -6.644 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -19.564 -4.609 -8.208 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -20.151 -5.583 -6.839 1.00 0.00 H new ATOM 526 N MET A 36 -15.446 -6.986 -6.501 1.00 0.00 N ATOM 527 CA MET A 36 -14.041 -7.246 -6.532 1.00 0.00 C ATOM 528 C MET A 36 -13.550 -8.386 -7.357 1.00 0.00 C ATOM 529 O MET A 36 -12.473 -8.325 -7.948 1.00 0.00 O ATOM 530 CB MET A 36 -13.573 -7.439 -5.079 1.00 0.00 C ATOM 531 CG MET A 36 -13.711 -6.297 -4.071 1.00 0.00 C ATOM 532 SD MET A 36 -13.943 -6.880 -2.364 1.00 0.00 S ATOM 533 CE MET A 36 -12.257 -7.355 -1.886 1.00 0.00 C ATOM 0 H MET A 36 -15.894 -7.322 -5.649 1.00 0.00 H new ATOM 0 HA MET A 36 -13.614 -6.379 -7.037 1.00 0.00 H new ATOM 0 HB2 MET A 36 -14.115 -8.294 -4.675 1.00 0.00 H new ATOM 0 HB3 MET A 36 -12.519 -7.716 -5.112 1.00 0.00 H new ATOM 0 HG2 MET A 36 -12.821 -5.670 -4.117 1.00 0.00 H new ATOM 0 HG3 MET A 36 -14.557 -5.671 -4.353 1.00 0.00 H new ATOM 0 HE1 MET A 36 -12.279 -7.843 -0.911 1.00 0.00 H new ATOM 0 HE2 MET A 36 -11.849 -8.042 -2.627 1.00 0.00 H new ATOM 0 HE3 MET A 36 -11.630 -6.465 -1.832 1.00 0.00 H new ATOM 543 N ARG A 37 -14.349 -9.462 -7.464 1.00 0.00 N ATOM 544 CA ARG A 37 -14.150 -10.529 -8.395 1.00 0.00 C ATOM 545 C ARG A 37 -14.212 -10.163 -9.838 1.00 0.00 C ATOM 546 O ARG A 37 -13.302 -10.518 -10.585 1.00 0.00 O ATOM 547 CB ARG A 37 -15.183 -11.642 -8.153 1.00 0.00 C ATOM 548 CG ARG A 37 -14.799 -13.009 -8.723 1.00 0.00 C ATOM 549 CD ARG A 37 -14.844 -14.130 -7.683 1.00 0.00 C ATOM 550 NE ARG A 37 -16.225 -14.157 -7.124 1.00 0.00 N ATOM 551 CZ ARG A 37 -16.539 -14.132 -5.796 1.00 0.00 C ATOM 552 NH1 ARG A 37 -15.580 -14.304 -4.840 1.00 0.00 N ATOM 553 NH2 ARG A 37 -17.852 -14.258 -5.446 1.00 0.00 N ATOM 0 H ARG A 37 -15.171 -9.594 -6.875 1.00 0.00 H new ATOM 0 HA ARG A 37 -13.126 -10.851 -8.203 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -15.342 -11.743 -7.079 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -16.134 -11.337 -8.589 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -15.473 -13.256 -9.543 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -13.795 -12.951 -9.142 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -14.595 -15.088 -8.139 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.113 -13.953 -6.894 1.00 0.00 H new ATOM 0 HE ARG A 37 -16.998 -14.197 -7.788 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.609 -14.454 -5.113 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -15.835 -14.282 -3.853 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -18.564 -14.367 -6.168 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -18.121 -14.243 -4.462 1.00 0.00 H new ATOM 567 N SER A 38 -15.105 -9.224 -10.199 1.00 0.00 N ATOM 568 CA SER A 38 -15.340 -8.613 -11.470 1.00 0.00 C ATOM 569 C SER A 38 -14.166 -7.837 -11.959 1.00 0.00 C ATOM 570 O SER A 38 -13.962 -7.537 -13.135 1.00 0.00 O ATOM 571 CB SER A 38 -16.593 -7.720 -11.469 1.00 0.00 C ATOM 572 OG SER A 38 -17.845 -8.372 -11.319 1.00 0.00 O ATOM 0 H SER A 38 -15.746 -8.846 -9.501 1.00 0.00 H new ATOM 0 HA SER A 38 -15.509 -9.440 -12.159 1.00 0.00 H new ATOM 0 HB2 SER A 38 -16.491 -6.992 -10.664 1.00 0.00 H new ATOM 0 HB3 SER A 38 -16.612 -7.160 -12.404 1.00 0.00 H new ATOM 0 HG SER A 38 -17.972 -8.625 -10.381 1.00 0.00 H new ATOM 578 N LEU A 39 -13.260 -7.448 -11.045 1.00 0.00 N ATOM 579 CA LEU A 39 -12.050 -6.788 -11.428 1.00 0.00 C ATOM 580 C LEU A 39 -10.999 -7.580 -12.128 1.00 0.00 C ATOM 581 O LEU A 39 -10.066 -7.008 -12.689 1.00 0.00 O ATOM 582 CB LEU A 39 -11.484 -6.115 -10.166 1.00 0.00 C ATOM 583 CG LEU A 39 -12.397 -5.175 -9.360 1.00 0.00 C ATOM 584 CD1 LEU A 39 -11.680 -4.500 -8.179 1.00 0.00 C ATOM 585 CD2 LEU A 39 -12.940 -4.126 -10.345 1.00 0.00 C ATOM 0 H LEU A 39 -13.365 -7.590 -10.040 1.00 0.00 H new ATOM 0 HA LEU A 39 -12.337 -6.086 -12.210 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.145 -6.904 -9.494 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.602 -5.547 -10.461 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.202 -5.756 -8.909 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.379 -3.851 -7.652 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.308 -5.263 -7.495 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.844 -3.907 -8.551 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -13.596 -3.435 -9.815 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -12.109 -3.574 -10.784 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.501 -4.625 -11.135 1.00 0.00 H new ATOM 597 N GLY A 40 -11.058 -8.922 -12.068 1.00 0.00 N ATOM 598 CA GLY A 40 -9.910 -9.759 -12.235 1.00 0.00 C ATOM 599 C GLY A 40 -9.271 -10.123 -10.939 1.00 0.00 C ATOM 600 O GLY A 40 -8.172 -10.665 -11.049 1.00 0.00 O ATOM 0 H GLY A 40 -11.922 -9.437 -11.900 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.202 -10.669 -12.760 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.181 -9.248 -12.864 1.00 0.00 H new ATOM 604 N GLN A 41 -9.895 -9.931 -9.763 1.00 0.00 N ATOM 605 CA GLN A 41 -9.355 -10.415 -8.530 1.00 0.00 C ATOM 606 C GLN A 41 -10.193 -11.545 -8.040 1.00 0.00 C ATOM 607 O GLN A 41 -11.219 -11.949 -8.585 1.00 0.00 O ATOM 608 CB GLN A 41 -9.295 -9.324 -7.448 1.00 0.00 C ATOM 609 CG GLN A 41 -8.463 -8.135 -7.934 1.00 0.00 C ATOM 610 CD GLN A 41 -8.185 -7.102 -6.851 1.00 0.00 C ATOM 611 OE1 GLN A 41 -8.895 -6.098 -6.842 1.00 0.00 O ATOM 612 NE2 GLN A 41 -7.073 -7.219 -6.076 1.00 0.00 N ATOM 0 H GLN A 41 -10.782 -9.436 -9.666 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.334 -10.743 -8.723 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.304 -8.993 -7.200 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.860 -9.732 -6.535 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.515 -8.502 -8.326 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.984 -7.651 -8.760 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.512 -8.070 -6.114 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.800 -6.456 -5.457 1.00 0.00 H new ATOM 621 N ASN A 42 -9.732 -12.131 -6.920 1.00 0.00 N ATOM 622 CA ASN A 42 -10.254 -13.312 -6.306 1.00 0.00 C ATOM 623 C ASN A 42 -10.360 -13.111 -4.833 1.00 0.00 C ATOM 624 O ASN A 42 -9.516 -13.618 -4.096 1.00 0.00 O ATOM 625 CB ASN A 42 -9.490 -14.581 -6.720 1.00 0.00 C ATOM 626 CG ASN A 42 -9.446 -14.777 -8.229 1.00 0.00 C ATOM 627 OD1 ASN A 42 -8.446 -14.444 -8.863 1.00 0.00 O ATOM 628 ND2 ASN A 42 -10.547 -15.196 -8.910 1.00 0.00 N ATOM 0 H ASN A 42 -8.936 -11.750 -6.408 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.264 -13.485 -6.676 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.472 -14.528 -6.335 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.960 -15.449 -6.259 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.534 -15.230 -9.929 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.385 -15.476 -8.401 1.00 0.00 H new ATOM 635 N PRO A 43 -11.313 -12.453 -4.243 1.00 0.00 N ATOM 636 CA PRO A 43 -11.483 -12.303 -2.827 1.00 0.00 C ATOM 637 C PRO A 43 -11.605 -13.636 -2.172 1.00 0.00 C ATOM 638 O PRO A 43 -12.609 -14.248 -2.533 1.00 0.00 O ATOM 639 CB PRO A 43 -12.744 -11.486 -2.557 1.00 0.00 C ATOM 640 CG PRO A 43 -12.921 -10.753 -3.897 1.00 0.00 C ATOM 641 CD PRO A 43 -12.363 -11.729 -4.944 1.00 0.00 C ATOM 0 HA PRO A 43 -10.612 -11.791 -2.418 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.600 -12.118 -2.318 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.615 -10.795 -1.724 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.969 -10.522 -4.088 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.379 -9.807 -3.907 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -13.136 -12.405 -5.308 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -11.969 -11.199 -5.811 1.00 0.00 H new ATOM 649 N THR A 44 -10.897 -13.964 -1.076 1.00 0.00 N ATOM 650 CA THR A 44 -11.240 -15.121 -0.311 1.00 0.00 C ATOM 651 C THR A 44 -12.374 -14.709 0.564 1.00 0.00 C ATOM 652 O THR A 44 -12.605 -13.522 0.784 1.00 0.00 O ATOM 653 CB THR A 44 -10.137 -15.697 0.528 1.00 0.00 C ATOM 654 OG1 THR A 44 -9.597 -14.746 1.434 1.00 0.00 O ATOM 655 CG2 THR A 44 -8.997 -16.214 -0.365 1.00 0.00 C ATOM 0 H THR A 44 -10.098 -13.436 -0.724 1.00 0.00 H new ATOM 0 HA THR A 44 -11.484 -15.923 -1.008 1.00 0.00 H new ATOM 0 HB THR A 44 -10.577 -16.514 1.100 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.884 -15.164 1.961 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.205 -16.628 0.259 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.378 -16.989 -1.030 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.598 -15.391 -0.958 1.00 0.00 H new ATOM 663 N GLU A 45 -13.135 -15.706 1.049 1.00 0.00 N ATOM 664 CA GLU A 45 -14.099 -15.461 2.077 1.00 0.00 C ATOM 665 C GLU A 45 -13.632 -14.919 3.384 1.00 0.00 C ATOM 666 O GLU A 45 -14.399 -14.217 4.042 1.00 0.00 O ATOM 667 CB GLU A 45 -14.772 -16.815 2.358 1.00 0.00 C ATOM 668 CG GLU A 45 -15.500 -17.214 1.074 1.00 0.00 C ATOM 669 CD GLU A 45 -16.130 -18.599 1.096 1.00 0.00 C ATOM 670 OE1 GLU A 45 -16.098 -19.289 2.150 1.00 0.00 O ATOM 671 OE2 GLU A 45 -16.762 -18.987 0.078 1.00 0.00 O ATOM 0 H GLU A 45 -13.084 -16.674 0.733 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.733 -14.667 1.683 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.032 -17.566 2.633 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.470 -16.735 3.191 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.280 -16.480 0.873 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.795 -17.165 0.244 1.00 0.00 H new ATOM 678 N ALA A 46 -12.381 -15.226 3.773 1.00 0.00 N ATOM 679 CA ALA A 46 -11.639 -14.661 4.857 1.00 0.00 C ATOM 680 C ALA A 46 -11.192 -13.256 4.644 1.00 0.00 C ATOM 681 O ALA A 46 -11.232 -12.481 5.598 1.00 0.00 O ATOM 682 CB ALA A 46 -10.408 -15.490 5.258 1.00 0.00 C ATOM 0 H ALA A 46 -11.841 -15.937 3.280 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.372 -14.672 5.664 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.894 -15.001 6.086 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.725 -16.487 5.565 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.731 -15.571 4.408 1.00 0.00 H new ATOM 688 N GLU A 47 -10.743 -12.861 3.439 1.00 0.00 N ATOM 689 CA GLU A 47 -10.403 -11.509 3.119 1.00 0.00 C ATOM 690 C GLU A 47 -11.561 -10.580 3.244 1.00 0.00 C ATOM 691 O GLU A 47 -11.404 -9.516 3.840 1.00 0.00 O ATOM 692 CB GLU A 47 -9.835 -11.444 1.691 1.00 0.00 C ATOM 693 CG GLU A 47 -8.336 -11.730 1.800 1.00 0.00 C ATOM 694 CD GLU A 47 -7.441 -10.621 2.336 1.00 0.00 C ATOM 695 OE1 GLU A 47 -7.528 -9.508 1.753 1.00 0.00 O ATOM 696 OE2 GLU A 47 -6.533 -10.817 3.187 1.00 0.00 O ATOM 0 H GLU A 47 -10.612 -13.506 2.660 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.653 -11.184 3.840 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.323 -12.176 1.047 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.011 -10.463 1.249 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.207 -12.604 2.439 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.974 -12.004 0.809 1.00 0.00 H new ATOM 703 N LEU A 48 -12.755 -11.021 2.808 1.00 0.00 N ATOM 704 CA LEU A 48 -14.014 -10.350 2.899 1.00 0.00 C ATOM 705 C LEU A 48 -14.416 -10.188 4.325 1.00 0.00 C ATOM 706 O LEU A 48 -14.486 -9.042 4.765 1.00 0.00 O ATOM 707 CB LEU A 48 -15.184 -11.090 2.228 1.00 0.00 C ATOM 708 CG LEU A 48 -15.127 -11.233 0.698 1.00 0.00 C ATOM 709 CD1 LEU A 48 -16.289 -12.053 0.111 1.00 0.00 C ATOM 710 CD2 LEU A 48 -15.097 -9.872 -0.018 1.00 0.00 C ATOM 0 H LEU A 48 -12.844 -11.929 2.351 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.846 -9.404 2.385 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.247 -12.089 2.660 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.107 -10.571 2.487 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.195 -11.769 0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -16.182 -12.111 -0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -16.274 -13.058 0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.235 -11.571 0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -15.057 -10.029 -1.096 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -15.996 -9.309 0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.217 -9.313 0.300 1.00 0.00 H new ATOM 722 N GLN A 49 -14.543 -11.280 5.100 1.00 0.00 N ATOM 723 CA GLN A 49 -14.845 -11.239 6.497 1.00 0.00 C ATOM 724 C GLN A 49 -14.020 -10.387 7.398 1.00 0.00 C ATOM 725 O GLN A 49 -14.545 -9.637 8.219 1.00 0.00 O ATOM 726 CB GLN A 49 -15.140 -12.642 7.056 1.00 0.00 C ATOM 727 CG GLN A 49 -15.728 -12.725 8.466 1.00 0.00 C ATOM 728 CD GLN A 49 -16.451 -14.058 8.598 1.00 0.00 C ATOM 729 OE1 GLN A 49 -16.134 -15.039 7.926 1.00 0.00 O ATOM 730 NE2 GLN A 49 -17.377 -14.087 9.594 1.00 0.00 N ATOM 0 H GLN A 49 -14.431 -12.228 4.740 1.00 0.00 H new ATOM 0 HA GLN A 49 -15.762 -10.650 6.511 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -15.829 -13.139 6.373 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.211 -13.212 7.043 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.938 -12.644 9.213 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -16.417 -11.899 8.640 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -17.594 -13.237 10.114 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -17.854 -14.959 9.821 1.00 0.00 H new ATOM 739 N ASP A 50 -12.705 -10.430 7.117 1.00 0.00 N ATOM 740 CA ASP A 50 -11.745 -9.641 7.824 1.00 0.00 C ATOM 741 C ASP A 50 -11.994 -8.179 7.677 1.00 0.00 C ATOM 742 O ASP A 50 -11.832 -7.382 8.600 1.00 0.00 O ATOM 743 CB ASP A 50 -10.330 -10.009 7.346 1.00 0.00 C ATOM 744 CG ASP A 50 -9.180 -9.412 8.145 1.00 0.00 C ATOM 745 OD1 ASP A 50 -8.723 -10.068 9.119 1.00 0.00 O ATOM 746 OD2 ASP A 50 -8.673 -8.352 7.690 1.00 0.00 O ATOM 0 H ASP A 50 -12.303 -11.021 6.389 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.841 -9.864 8.887 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.233 -11.095 7.363 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.226 -9.696 6.307 1.00 0.00 H new ATOM 751 N MET A 51 -12.361 -7.765 6.452 1.00 0.00 N ATOM 752 CA MET A 51 -12.543 -6.411 6.032 1.00 0.00 C ATOM 753 C MET A 51 -13.800 -5.806 6.556 1.00 0.00 C ATOM 754 O MET A 51 -13.858 -4.724 7.139 1.00 0.00 O ATOM 755 CB MET A 51 -12.541 -6.383 4.494 1.00 0.00 C ATOM 756 CG MET A 51 -12.896 -5.135 3.683 1.00 0.00 C ATOM 757 SD MET A 51 -13.452 -5.532 1.998 1.00 0.00 S ATOM 758 CE MET A 51 -11.817 -6.145 1.503 1.00 0.00 C ATOM 0 H MET A 51 -12.544 -8.428 5.699 1.00 0.00 H new ATOM 0 HA MET A 51 -11.726 -5.813 6.437 1.00 0.00 H new ATOM 0 HB2 MET A 51 -11.541 -6.682 4.180 1.00 0.00 H new ATOM 0 HB3 MET A 51 -13.224 -7.168 4.169 1.00 0.00 H new ATOM 0 HG2 MET A 51 -13.680 -4.581 4.199 1.00 0.00 H new ATOM 0 HG3 MET A 51 -12.026 -4.481 3.630 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.621 -5.865 0.468 1.00 0.00 H new ATOM 0 HE2 MET A 51 -11.054 -5.708 2.148 1.00 0.00 H new ATOM 0 HE3 MET A 51 -11.792 -7.231 1.596 1.00 0.00 H new ATOM 768 N ILE A 52 -14.864 -6.628 6.532 1.00 0.00 N ATOM 769 CA ILE A 52 -16.077 -6.344 7.235 1.00 0.00 C ATOM 770 C ILE A 52 -15.886 -6.128 8.696 1.00 0.00 C ATOM 771 O ILE A 52 -16.479 -5.246 9.317 1.00 0.00 O ATOM 772 CB ILE A 52 -17.043 -7.467 6.997 1.00 0.00 C ATOM 773 CG1 ILE A 52 -17.977 -7.070 5.841 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.020 -7.750 8.150 1.00 0.00 C ATOM 775 CD1 ILE A 52 -17.170 -6.731 4.588 1.00 0.00 C ATOM 0 H ILE A 52 -14.883 -7.507 6.015 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.467 -5.403 6.847 1.00 0.00 H new ATOM 0 HB ILE A 52 -16.409 -8.338 6.831 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -18.666 -7.887 5.626 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -18.582 -6.212 6.134 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -18.674 -8.578 7.878 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -17.458 -8.011 9.047 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.621 -6.862 8.344 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -17.849 -6.453 3.782 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -16.500 -5.898 4.801 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -16.585 -7.600 4.286 1.00 0.00 H new ATOM 787 N ASN A 53 -15.057 -7.029 9.252 1.00 0.00 N ATOM 788 CA ASN A 53 -14.779 -6.961 10.653 1.00 0.00 C ATOM 789 C ASN A 53 -14.070 -5.744 11.140 1.00 0.00 C ATOM 790 O ASN A 53 -14.170 -5.264 12.268 1.00 0.00 O ATOM 791 CB ASN A 53 -13.980 -8.221 11.023 1.00 0.00 C ATOM 792 CG ASN A 53 -13.946 -8.479 12.523 1.00 0.00 C ATOM 793 OD1 ASN A 53 -15.005 -8.455 13.148 1.00 0.00 O ATOM 794 ND2 ASN A 53 -12.729 -8.559 13.126 1.00 0.00 N ATOM 0 H ASN A 53 -14.591 -7.784 8.749 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.747 -6.900 11.151 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.418 -9.084 10.520 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.960 -8.120 10.653 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.666 -8.602 14.143 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.880 -8.576 12.561 1.00 0.00 H new ATOM 801 N GLU A 54 -13.333 -5.157 10.180 1.00 0.00 N ATOM 802 CA GLU A 54 -12.615 -3.931 10.336 1.00 0.00 C ATOM 803 C GLU A 54 -13.488 -2.723 10.316 1.00 0.00 C ATOM 804 O GLU A 54 -13.326 -1.808 11.121 1.00 0.00 O ATOM 805 CB GLU A 54 -11.474 -3.811 9.312 1.00 0.00 C ATOM 806 CG GLU A 54 -10.329 -2.860 9.667 1.00 0.00 C ATOM 807 CD GLU A 54 -9.200 -2.809 8.647 1.00 0.00 C ATOM 808 OE1 GLU A 54 -8.644 -3.898 8.344 1.00 0.00 O ATOM 809 OE2 GLU A 54 -8.934 -1.743 8.030 1.00 0.00 O ATOM 0 H GLU A 54 -13.233 -5.559 9.248 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.177 -3.970 11.333 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.054 -4.804 9.152 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.902 -3.489 8.362 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.735 -1.856 9.789 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.915 -3.156 10.631 1.00 0.00 H new ATOM 816 N VAL A 55 -14.510 -2.704 9.441 1.00 0.00 N ATOM 817 CA VAL A 55 -15.214 -1.486 9.189 1.00 0.00 C ATOM 818 C VAL A 55 -16.586 -1.402 9.765 1.00 0.00 C ATOM 819 O VAL A 55 -16.999 -0.311 10.155 1.00 0.00 O ATOM 820 CB VAL A 55 -15.232 -1.117 7.735 1.00 0.00 C ATOM 821 CG1 VAL A 55 -13.772 -1.027 7.260 1.00 0.00 C ATOM 822 CG2 VAL A 55 -15.997 -2.086 6.818 1.00 0.00 C ATOM 0 H VAL A 55 -14.843 -3.514 8.918 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.624 -0.749 9.734 1.00 0.00 H new ATOM 0 HB VAL A 55 -15.769 -0.171 7.661 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -13.749 -0.760 6.204 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -13.247 -0.266 7.838 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -13.283 -1.991 7.401 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.949 -1.728 5.790 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -15.547 -3.077 6.879 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -17.039 -2.141 7.135 1.00 0.00 H new ATOM 832 N ASP A 56 -17.302 -2.531 9.914 1.00 0.00 N ATOM 833 CA ASP A 56 -18.673 -2.543 10.321 1.00 0.00 C ATOM 834 C ASP A 56 -18.967 -2.085 11.708 1.00 0.00 C ATOM 835 O ASP A 56 -18.735 -2.730 12.730 1.00 0.00 O ATOM 836 CB ASP A 56 -19.480 -3.816 10.016 1.00 0.00 C ATOM 837 CG ASP A 56 -20.988 -3.625 9.925 1.00 0.00 C ATOM 838 OD1 ASP A 56 -21.485 -2.467 9.953 1.00 0.00 O ATOM 839 OD2 ASP A 56 -21.554 -4.748 9.865 1.00 0.00 O ATOM 0 H ASP A 56 -16.917 -3.461 9.747 1.00 0.00 H new ATOM 0 HA ASP A 56 -19.031 -1.768 9.643 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -19.126 -4.234 9.074 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -19.270 -4.554 10.790 1.00 0.00 H new ATOM 844 N ALA A 57 -19.462 -0.838 11.803 1.00 0.00 N ATOM 845 CA ALA A 57 -19.934 -0.354 13.063 1.00 0.00 C ATOM 846 C ALA A 57 -21.117 -1.075 13.612 1.00 0.00 C ATOM 847 O ALA A 57 -21.390 -1.108 14.811 1.00 0.00 O ATOM 848 CB ALA A 57 -20.360 1.106 12.829 1.00 0.00 C ATOM 0 H ALA A 57 -19.535 -0.179 11.028 1.00 0.00 H new ATOM 0 HA ALA A 57 -19.129 -0.491 13.785 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -20.731 1.531 13.762 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -19.503 1.684 12.483 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -21.148 1.139 12.076 1.00 0.00 H new ATOM 854 N ASP A 58 -21.903 -1.642 12.680 1.00 0.00 N ATOM 855 CA ASP A 58 -23.246 -2.085 12.890 1.00 0.00 C ATOM 856 C ASP A 58 -23.383 -3.533 13.216 1.00 0.00 C ATOM 857 O ASP A 58 -24.255 -3.935 13.985 1.00 0.00 O ATOM 858 CB ASP A 58 -24.197 -1.603 11.782 1.00 0.00 C ATOM 859 CG ASP A 58 -24.069 -0.135 11.400 1.00 0.00 C ATOM 860 OD1 ASP A 58 -23.137 0.145 10.599 1.00 0.00 O ATOM 861 OD2 ASP A 58 -24.711 0.789 11.967 1.00 0.00 O ATOM 0 H ASP A 58 -21.582 -1.800 11.725 1.00 0.00 H new ATOM 0 HA ASP A 58 -23.570 -1.593 13.807 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -24.026 -2.208 10.892 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -25.222 -1.789 12.101 1.00 0.00 H new ATOM 866 N GLY A 59 -22.476 -4.358 12.663 1.00 0.00 N ATOM 867 CA GLY A 59 -22.257 -5.715 13.059 1.00 0.00 C ATOM 868 C GLY A 59 -23.181 -6.624 12.323 1.00 0.00 C ATOM 869 O GLY A 59 -23.414 -7.734 12.800 1.00 0.00 O ATOM 0 H GLY A 59 -21.865 -4.064 11.901 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -21.223 -5.997 12.859 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -22.414 -5.818 14.133 1.00 0.00 H new ATOM 873 N ASN A 60 -23.640 -6.171 11.143 1.00 0.00 N ATOM 874 CA ASN A 60 -24.469 -6.914 10.245 1.00 0.00 C ATOM 875 C ASN A 60 -23.601 -7.620 9.262 1.00 0.00 C ATOM 876 O ASN A 60 -23.752 -8.782 8.887 1.00 0.00 O ATOM 877 CB ASN A 60 -25.443 -6.086 9.389 1.00 0.00 C ATOM 878 CG ASN A 60 -26.503 -6.935 8.702 1.00 0.00 C ATOM 879 OD1 ASN A 60 -26.319 -7.642 7.713 1.00 0.00 O ATOM 880 ND2 ASN A 60 -27.759 -6.727 9.181 1.00 0.00 N ATOM 0 H ASN A 60 -23.421 -5.237 10.797 1.00 0.00 H new ATOM 0 HA ASN A 60 -25.056 -7.561 10.897 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -25.933 -5.345 10.021 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -24.879 -5.539 8.634 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -28.559 -7.159 8.719 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -27.901 -6.139 10.002 1.00 0.00 H new ATOM 887 N GLY A 61 -22.570 -6.962 8.702 1.00 0.00 N ATOM 888 CA GLY A 61 -21.656 -7.200 7.628 1.00 0.00 C ATOM 889 C GLY A 61 -21.975 -6.319 6.470 1.00 0.00 C ATOM 890 O GLY A 61 -21.716 -6.759 5.351 1.00 0.00 O ATOM 0 H GLY A 61 -22.336 -6.056 9.107 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -20.635 -7.016 7.963 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -21.708 -8.245 7.323 1.00 0.00 H new ATOM 894 N THR A 62 -22.440 -5.077 6.691 1.00 0.00 N ATOM 895 CA THR A 62 -22.899 -4.289 5.589 1.00 0.00 C ATOM 896 C THR A 62 -22.337 -2.912 5.683 1.00 0.00 C ATOM 897 O THR A 62 -22.271 -2.228 6.703 1.00 0.00 O ATOM 898 CB THR A 62 -24.390 -4.120 5.602 1.00 0.00 C ATOM 899 OG1 THR A 62 -24.982 -3.635 6.798 1.00 0.00 O ATOM 900 CG2 THR A 62 -25.009 -5.501 5.327 1.00 0.00 C ATOM 0 H THR A 62 -22.498 -4.628 7.605 1.00 0.00 H new ATOM 0 HA THR A 62 -22.582 -4.810 4.686 1.00 0.00 H new ATOM 0 HB THR A 62 -24.589 -3.354 4.852 1.00 0.00 H new ATOM 0 HG1 THR A 62 -25.952 -3.568 6.679 1.00 0.00 H new ATOM 0 HG21 THR A 62 -26.096 -5.419 5.328 1.00 0.00 H new ATOM 0 HG22 THR A 62 -24.674 -5.863 4.355 1.00 0.00 H new ATOM 0 HG23 THR A 62 -24.697 -6.201 6.102 1.00 0.00 H new ATOM 908 N ILE A 63 -21.784 -2.350 4.593 1.00 0.00 N ATOM 909 CA ILE A 63 -21.011 -1.151 4.497 1.00 0.00 C ATOM 910 C ILE A 63 -21.847 -0.077 3.890 1.00 0.00 C ATOM 911 O ILE A 63 -22.325 -0.264 2.772 1.00 0.00 O ATOM 912 CB ILE A 63 -19.747 -1.431 3.739 1.00 0.00 C ATOM 913 CG1 ILE A 63 -19.131 -2.804 4.058 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.766 -0.355 4.234 1.00 0.00 C ATOM 915 CD1 ILE A 63 -17.814 -3.091 3.338 1.00 0.00 C ATOM 0 H ILE A 63 -21.893 -2.788 3.678 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.709 -0.796 5.482 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.950 -1.425 2.668 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -18.965 -2.873 5.133 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -19.850 -3.580 3.796 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.806 -0.479 3.732 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -19.167 0.634 4.010 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.628 -0.456 5.311 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -17.452 -4.079 3.622 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -17.974 -3.059 2.260 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -17.075 -2.340 3.618 1.00 0.00 H new ATOM 927 N ASP A 64 -22.196 0.964 4.666 1.00 0.00 N ATOM 928 CA ASP A 64 -23.029 2.063 4.289 1.00 0.00 C ATOM 929 C ASP A 64 -22.198 3.241 3.913 1.00 0.00 C ATOM 930 O ASP A 64 -20.971 3.193 3.989 1.00 0.00 O ATOM 931 CB ASP A 64 -23.984 2.346 5.461 1.00 0.00 C ATOM 932 CG ASP A 64 -23.243 2.205 6.783 1.00 0.00 C ATOM 933 OD1 ASP A 64 -23.057 1.067 7.291 1.00 0.00 O ATOM 934 OD2 ASP A 64 -22.988 3.275 7.397 1.00 0.00 O ATOM 0 H ASP A 64 -21.871 1.042 5.630 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.623 1.828 3.406 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -24.395 3.351 5.371 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -24.825 1.653 5.431 1.00 0.00 H new ATOM 939 N PHE A 65 -22.723 4.400 3.477 1.00 0.00 N ATOM 940 CA PHE A 65 -21.943 5.484 2.966 1.00 0.00 C ATOM 941 C PHE A 65 -20.800 6.025 3.752 1.00 0.00 C ATOM 942 O PHE A 65 -19.704 6.101 3.199 1.00 0.00 O ATOM 943 CB PHE A 65 -22.814 6.582 2.332 1.00 0.00 C ATOM 944 CG PHE A 65 -22.129 7.804 1.824 1.00 0.00 C ATOM 945 CD1 PHE A 65 -21.110 7.687 0.908 1.00 0.00 C ATOM 946 CD2 PHE A 65 -22.473 9.068 2.242 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.461 8.773 0.371 1.00 0.00 C ATOM 948 CE2 PHE A 65 -21.832 10.179 1.747 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.763 10.006 0.900 1.00 0.00 C ATOM 0 H PHE A 65 -23.725 4.589 3.480 1.00 0.00 H new ATOM 0 HA PHE A 65 -21.380 4.962 2.192 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -23.364 6.137 1.503 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -23.551 6.894 3.072 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -20.806 6.698 0.597 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -23.260 9.190 2.971 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.746 8.663 -0.431 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -22.163 11.171 2.019 1.00 0.00 H new ATOM 0 HZ PHE A 65 -20.148 10.856 0.645 1.00 0.00 H new ATOM 959 N PRO A 66 -20.869 6.557 4.937 1.00 0.00 N ATOM 960 CA PRO A 66 -19.770 7.251 5.542 1.00 0.00 C ATOM 961 C PRO A 66 -18.779 6.252 6.030 1.00 0.00 C ATOM 962 O PRO A 66 -17.704 6.712 6.414 1.00 0.00 O ATOM 963 CB PRO A 66 -20.403 7.971 6.730 1.00 0.00 C ATOM 964 CG PRO A 66 -21.622 7.109 7.093 1.00 0.00 C ATOM 965 CD PRO A 66 -22.106 6.779 5.671 1.00 0.00 C ATOM 0 HA PRO A 66 -19.257 7.931 4.862 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.707 8.047 7.565 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.698 8.987 6.468 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -21.355 6.220 7.665 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.365 7.653 7.676 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.745 5.896 5.659 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.686 7.597 5.244 1.00 0.00 H new ATOM 973 N GLU A 67 -19.202 4.976 6.087 1.00 0.00 N ATOM 974 CA GLU A 67 -18.414 3.826 6.405 1.00 0.00 C ATOM 975 C GLU A 67 -17.577 3.338 5.273 1.00 0.00 C ATOM 976 O GLU A 67 -16.398 3.038 5.453 1.00 0.00 O ATOM 977 CB GLU A 67 -19.304 2.682 6.919 1.00 0.00 C ATOM 978 CG GLU A 67 -18.665 1.709 7.911 1.00 0.00 C ATOM 979 CD GLU A 67 -19.666 0.669 8.392 1.00 0.00 C ATOM 980 OE1 GLU A 67 -20.140 -0.159 7.569 1.00 0.00 O ATOM 981 OE2 GLU A 67 -20.219 0.735 9.523 1.00 0.00 O ATOM 0 H GLU A 67 -20.173 4.731 5.895 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.728 4.149 7.188 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -20.184 3.120 7.391 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -19.655 2.111 6.059 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.818 1.210 7.440 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -18.274 2.262 8.765 1.00 0.00 H new ATOM 988 N PHE A 68 -18.144 3.187 4.063 1.00 0.00 N ATOM 989 CA PHE A 68 -17.492 2.901 2.822 1.00 0.00 C ATOM 990 C PHE A 68 -16.603 4.046 2.477 1.00 0.00 C ATOM 991 O PHE A 68 -15.499 3.917 1.951 1.00 0.00 O ATOM 992 CB PHE A 68 -18.362 2.542 1.606 1.00 0.00 C ATOM 993 CG PHE A 68 -17.616 2.271 0.345 1.00 0.00 C ATOM 994 CD1 PHE A 68 -17.306 3.351 -0.447 1.00 0.00 C ATOM 995 CD2 PHE A 68 -17.249 0.985 0.023 1.00 0.00 C ATOM 996 CE1 PHE A 68 -16.745 3.166 -1.689 1.00 0.00 C ATOM 997 CE2 PHE A 68 -16.650 0.786 -1.198 1.00 0.00 C ATOM 998 CZ PHE A 68 -16.432 1.868 -2.018 1.00 0.00 C ATOM 0 H PHE A 68 -19.153 3.274 3.944 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.955 1.973 3.018 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.957 1.662 1.853 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -19.061 3.359 1.427 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -17.504 4.351 -0.092 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.425 0.164 0.703 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.562 3.989 -2.364 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.355 -0.205 -1.509 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.985 1.686 -2.984 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.945 5.320 2.740 1.00 0.00 N ATOM 1009 CA LEU A 69 -16.077 6.452 2.639 1.00 0.00 C ATOM 1010 C LEU A 69 -14.813 6.450 3.427 1.00 0.00 C ATOM 1011 O LEU A 69 -13.738 6.772 2.924 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.934 7.690 2.954 1.00 0.00 C ATOM 1013 CG LEU A 69 -16.240 9.024 2.630 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -17.359 9.927 2.086 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -15.540 9.738 3.799 1.00 0.00 C ATOM 0 H LEU A 69 -17.886 5.574 3.042 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.679 6.437 1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -17.865 7.629 2.390 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -17.200 7.677 4.011 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.425 8.817 1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -16.947 10.903 1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -17.794 9.472 1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -18.131 10.048 2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -15.090 10.665 3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.270 9.965 4.576 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -14.763 9.091 4.208 1.00 0.00 H new ATOM 1027 N THR A 70 -14.914 5.984 4.685 1.00 0.00 N ATOM 1028 CA THR A 70 -13.718 5.969 5.469 1.00 0.00 C ATOM 1029 C THR A 70 -12.788 4.837 5.196 1.00 0.00 C ATOM 1030 O THR A 70 -11.578 5.052 5.239 1.00 0.00 O ATOM 1031 CB THR A 70 -13.937 6.027 6.952 1.00 0.00 C ATOM 1032 OG1 THR A 70 -14.971 5.136 7.343 1.00 0.00 O ATOM 1033 CG2 THR A 70 -14.579 7.366 7.353 1.00 0.00 C ATOM 0 H THR A 70 -15.761 5.639 5.136 1.00 0.00 H new ATOM 0 HA THR A 70 -13.251 6.895 5.134 1.00 0.00 H new ATOM 0 HB THR A 70 -12.961 5.827 7.394 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.098 5.187 8.313 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.730 7.388 8.432 1.00 0.00 H new ATOM 0 HG22 THR A 70 -13.923 8.186 7.061 1.00 0.00 H new ATOM 0 HG23 THR A 70 -15.540 7.474 6.850 1.00 0.00 H new ATOM 1041 N MET A 71 -13.427 3.738 4.758 1.00 0.00 N ATOM 1042 CA MET A 71 -12.872 2.554 4.179 1.00 0.00 C ATOM 1043 C MET A 71 -12.066 2.843 2.959 1.00 0.00 C ATOM 1044 O MET A 71 -10.911 2.438 2.844 1.00 0.00 O ATOM 1045 CB MET A 71 -13.863 1.415 3.888 1.00 0.00 C ATOM 1046 CG MET A 71 -13.232 0.180 3.240 1.00 0.00 C ATOM 1047 SD MET A 71 -14.509 -1.112 3.298 1.00 0.00 S ATOM 1048 CE MET A 71 -13.644 -1.989 1.963 1.00 0.00 C ATOM 0 H MET A 71 -14.443 3.675 4.817 1.00 0.00 H new ATOM 0 HA MET A 71 -12.224 2.184 4.973 1.00 0.00 H new ATOM 0 HB2 MET A 71 -14.340 1.117 4.822 1.00 0.00 H new ATOM 0 HB3 MET A 71 -14.650 1.792 3.234 1.00 0.00 H new ATOM 0 HG2 MET A 71 -12.931 0.387 2.213 1.00 0.00 H new ATOM 0 HG3 MET A 71 -12.336 -0.130 3.778 1.00 0.00 H new ATOM 0 HE1 MET A 71 -14.298 -2.756 1.548 1.00 0.00 H new ATOM 0 HE2 MET A 71 -13.372 -1.282 1.180 1.00 0.00 H new ATOM 0 HE3 MET A 71 -12.743 -2.456 2.359 1.00 0.00 H new ATOM 1058 N MET A 72 -12.629 3.546 1.960 1.00 0.00 N ATOM 1059 CA MET A 72 -11.998 3.856 0.715 1.00 0.00 C ATOM 1060 C MET A 72 -10.900 4.844 0.913 1.00 0.00 C ATOM 1061 O MET A 72 -9.829 4.730 0.319 1.00 0.00 O ATOM 1062 CB MET A 72 -13.006 4.239 -0.381 1.00 0.00 C ATOM 1063 CG MET A 72 -12.360 4.409 -1.758 1.00 0.00 C ATOM 1064 SD MET A 72 -13.497 5.198 -2.937 1.00 0.00 S ATOM 1065 CE MET A 72 -12.447 5.259 -4.418 1.00 0.00 C ATOM 0 H MET A 72 -13.576 3.918 2.025 1.00 0.00 H new ATOM 0 HA MET A 72 -11.528 2.949 0.336 1.00 0.00 H new ATOM 0 HB2 MET A 72 -13.778 3.472 -0.441 1.00 0.00 H new ATOM 0 HB3 MET A 72 -13.502 5.169 -0.102 1.00 0.00 H new ATOM 0 HG2 MET A 72 -11.456 5.011 -1.665 1.00 0.00 H new ATOM 0 HG3 MET A 72 -12.056 3.435 -2.141 1.00 0.00 H new ATOM 0 HE1 MET A 72 -13.000 5.718 -5.237 1.00 0.00 H new ATOM 0 HE2 MET A 72 -11.555 5.848 -4.207 1.00 0.00 H new ATOM 0 HE3 MET A 72 -12.156 4.247 -4.699 1.00 0.00 H new ATOM 1075 N ALA A 73 -11.082 5.811 1.831 1.00 0.00 N ATOM 1076 CA ALA A 73 -10.075 6.772 2.159 1.00 0.00 C ATOM 1077 C ALA A 73 -8.906 6.102 2.795 1.00 0.00 C ATOM 1078 O ALA A 73 -7.739 6.235 2.430 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.544 8.004 2.950 1.00 0.00 C ATOM 0 H ALA A 73 -11.948 5.927 2.357 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.774 7.202 1.204 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.694 8.660 3.140 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.296 8.542 2.373 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.975 7.685 3.899 1.00 0.00 H new ATOM 1234 N GLU A 83 5.046 5.777 4.522 1.00 0.00 N ATOM 1235 CA GLU A 83 5.655 4.617 5.094 1.00 0.00 C ATOM 1236 C GLU A 83 6.314 4.811 6.416 1.00 0.00 C ATOM 1237 O GLU A 83 6.472 3.895 7.222 1.00 0.00 O ATOM 1238 CB GLU A 83 6.598 3.853 4.149 1.00 0.00 C ATOM 1239 CG GLU A 83 7.075 2.475 4.613 1.00 0.00 C ATOM 1240 CD GLU A 83 7.874 1.781 3.519 1.00 0.00 C ATOM 1241 OE1 GLU A 83 8.994 2.242 3.171 1.00 0.00 O ATOM 1242 OE2 GLU A 83 7.380 0.722 3.048 1.00 0.00 O ATOM 0 HA GLU A 83 4.777 3.996 5.271 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.093 3.732 3.191 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.476 4.474 3.971 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.690 2.580 5.507 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.217 1.862 4.887 1.00 0.00 H new ATOM 1249 N GLU A 84 6.764 6.055 6.657 1.00 0.00 N ATOM 1250 CA GLU A 84 7.347 6.506 7.882 1.00 0.00 C ATOM 1251 C GLU A 84 6.442 6.202 9.026 1.00 0.00 C ATOM 1252 O GLU A 84 6.764 5.662 10.084 1.00 0.00 O ATOM 1253 CB GLU A 84 7.682 8.001 7.742 1.00 0.00 C ATOM 1254 CG GLU A 84 8.778 8.223 6.697 1.00 0.00 C ATOM 1255 CD GLU A 84 9.241 9.664 6.529 1.00 0.00 C ATOM 1256 OE1 GLU A 84 8.967 10.446 7.478 1.00 0.00 O ATOM 1257 OE2 GLU A 84 9.992 10.008 5.578 1.00 0.00 O ATOM 0 H GLU A 84 6.718 6.791 5.952 1.00 0.00 H new ATOM 0 HA GLU A 84 8.277 5.978 8.092 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.786 8.553 7.457 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.007 8.396 8.704 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.640 7.612 6.964 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.417 7.861 5.734 1.00 0.00 H new ATOM 1264 N ILE A 85 5.174 6.627 8.877 1.00 0.00 N ATOM 1265 CA ILE A 85 4.095 6.395 9.786 1.00 0.00 C ATOM 1266 C ILE A 85 3.546 5.011 9.827 1.00 0.00 C ATOM 1267 O ILE A 85 3.053 4.529 10.846 1.00 0.00 O ATOM 1268 CB ILE A 85 2.971 7.339 9.478 1.00 0.00 C ATOM 1269 CG1 ILE A 85 3.473 8.780 9.672 1.00 0.00 C ATOM 1270 CG2 ILE A 85 1.743 7.224 10.398 1.00 0.00 C ATOM 1271 CD1 ILE A 85 3.856 9.179 11.096 1.00 0.00 C ATOM 0 H ILE A 85 4.884 7.171 8.064 1.00 0.00 H new ATOM 0 HA ILE A 85 4.534 6.561 10.770 1.00 0.00 H new ATOM 0 HB ILE A 85 2.668 7.085 8.462 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.341 8.929 9.030 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.698 9.462 9.323 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.989 7.949 10.091 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.329 6.218 10.328 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.040 7.423 11.428 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.194 10.215 11.105 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.989 9.074 11.749 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.658 8.533 11.452 1.00 0.00 H new ATOM 1283 N ARG A 86 3.465 4.339 8.665 1.00 0.00 N ATOM 1284 CA ARG A 86 3.042 2.981 8.508 1.00 0.00 C ATOM 1285 C ARG A 86 3.907 2.019 9.247 1.00 0.00 C ATOM 1286 O ARG A 86 3.386 1.243 10.047 1.00 0.00 O ATOM 1287 CB ARG A 86 2.786 2.709 7.017 1.00 0.00 C ATOM 1288 CG ARG A 86 1.967 1.458 6.693 1.00 0.00 C ATOM 1289 CD ARG A 86 0.538 1.470 7.241 1.00 0.00 C ATOM 1290 NE ARG A 86 0.075 0.097 6.895 1.00 0.00 N ATOM 1291 CZ ARG A 86 -0.533 -0.182 5.705 1.00 0.00 C ATOM 1292 NH1 ARG A 86 -1.171 0.788 4.987 1.00 0.00 N ATOM 1293 NH2 ARG A 86 -0.757 -1.468 5.306 1.00 0.00 N ATOM 0 H ARG A 86 3.712 4.774 7.776 1.00 0.00 H new ATOM 0 HA ARG A 86 2.084 2.810 9.000 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.275 3.573 6.593 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.749 2.629 6.512 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.926 1.338 5.610 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.487 0.587 7.091 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.512 1.653 8.315 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.075 2.240 6.772 1.00 0.00 H new ATOM 0 HE ARG A 86 0.216 -0.657 7.567 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.201 1.746 5.337 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.618 0.555 4.100 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.468 -2.244 5.901 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.213 -1.653 4.413 1.00 0.00 H new ATOM 1307 N GLU A 87 5.230 2.084 9.016 1.00 0.00 N ATOM 1308 CA GLU A 87 6.187 1.280 9.710 1.00 0.00 C ATOM 1309 C GLU A 87 6.251 1.522 11.179 1.00 0.00 C ATOM 1310 O GLU A 87 6.483 0.626 11.989 1.00 0.00 O ATOM 1311 CB GLU A 87 7.544 1.213 8.989 1.00 0.00 C ATOM 1312 CG GLU A 87 8.316 -0.086 9.229 1.00 0.00 C ATOM 1313 CD GLU A 87 9.644 -0.106 8.487 1.00 0.00 C ATOM 1314 OE1 GLU A 87 9.667 -0.284 7.239 1.00 0.00 O ATOM 1315 OE2 GLU A 87 10.657 0.135 9.196 1.00 0.00 O ATOM 0 H GLU A 87 5.645 2.712 8.328 1.00 0.00 H new ATOM 0 HA GLU A 87 5.804 0.261 9.663 1.00 0.00 H new ATOM 0 HB2 GLU A 87 7.381 1.333 7.918 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.158 2.053 9.314 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.496 -0.209 10.297 1.00 0.00 H new ATOM 0 HG3 GLU A 87 7.709 -0.933 8.909 1.00 0.00 H new ATOM 1322 N ALA A 88 5.993 2.762 11.630 1.00 0.00 N ATOM 1323 CA ALA A 88 5.864 2.982 13.037 1.00 0.00 C ATOM 1324 C ALA A 88 4.759 2.249 13.716 1.00 0.00 C ATOM 1325 O ALA A 88 4.900 1.690 14.803 1.00 0.00 O ATOM 1326 CB ALA A 88 5.625 4.497 13.147 1.00 0.00 C ATOM 0 H ALA A 88 5.877 3.588 11.043 1.00 0.00 H new ATOM 0 HA ALA A 88 6.755 2.607 13.541 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.512 4.772 14.196 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.474 5.031 12.721 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.719 4.763 12.602 1.00 0.00 H new ATOM 1332 N PHE A 89 3.697 2.018 12.923 1.00 0.00 N ATOM 1333 CA PHE A 89 2.553 1.269 13.343 1.00 0.00 C ATOM 1334 C PHE A 89 2.894 -0.178 13.432 1.00 0.00 C ATOM 1335 O PHE A 89 2.628 -0.921 14.376 1.00 0.00 O ATOM 1336 CB PHE A 89 1.267 1.511 12.533 1.00 0.00 C ATOM 1337 CG PHE A 89 0.079 1.149 13.356 1.00 0.00 C ATOM 1338 CD1 PHE A 89 -0.300 -0.171 13.427 1.00 0.00 C ATOM 1339 CD2 PHE A 89 -0.770 2.072 13.920 1.00 0.00 C ATOM 1340 CE1 PHE A 89 -1.404 -0.529 14.163 1.00 0.00 C ATOM 1341 CE2 PHE A 89 -1.893 1.702 14.622 1.00 0.00 C ATOM 1342 CZ PHE A 89 -2.270 0.383 14.720 1.00 0.00 C ATOM 0 H PHE A 89 3.632 2.361 11.965 1.00 0.00 H new ATOM 0 HA PHE A 89 2.301 1.648 14.334 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.207 2.557 12.231 1.00 0.00 H new ATOM 0 HB3 PHE A 89 1.284 0.916 11.620 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.269 -0.926 12.905 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.547 3.123 13.808 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.602 -1.580 14.312 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.490 2.461 15.105 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.188 0.082 15.204 1.00 0.00 H new ATOM 1352 N ARG A 90 3.574 -0.675 12.384 1.00 0.00 N ATOM 1353 CA ARG A 90 4.039 -2.027 12.336 1.00 0.00 C ATOM 1354 C ARG A 90 5.109 -2.460 13.278 1.00 0.00 C ATOM 1355 O ARG A 90 5.254 -3.660 13.511 1.00 0.00 O ATOM 1356 CB ARG A 90 4.444 -2.365 10.891 1.00 0.00 C ATOM 1357 CG ARG A 90 5.068 -3.710 10.515 1.00 0.00 C ATOM 1358 CD ARG A 90 4.044 -4.796 10.179 1.00 0.00 C ATOM 1359 NE ARG A 90 3.754 -5.425 11.498 1.00 0.00 N ATOM 1360 CZ ARG A 90 3.177 -6.660 11.562 1.00 0.00 C ATOM 1361 NH1 ARG A 90 2.916 -7.522 10.536 1.00 0.00 N ATOM 1362 NH2 ARG A 90 2.676 -7.007 12.784 1.00 0.00 N ATOM 0 H ARG A 90 3.805 -0.128 11.554 1.00 0.00 H new ATOM 0 HA ARG A 90 3.181 -2.596 12.694 1.00 0.00 H new ATOM 0 HB2 ARG A 90 3.549 -2.253 10.280 1.00 0.00 H new ATOM 0 HB3 ARG A 90 5.146 -1.594 10.573 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.726 -3.567 9.658 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.690 -4.054 11.341 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.145 -4.374 9.730 1.00 0.00 H new ATOM 0 HD3 ARG A 90 4.445 -5.520 9.469 1.00 0.00 H new ATOM 0 HE ARG A 90 3.988 -4.930 12.358 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.161 -7.265 9.580 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.476 -8.423 10.726 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.749 -6.358 13.568 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.229 -7.915 12.913 1.00 0.00 H new ATOM 1376 N VAL A 91 5.901 -1.473 13.732 1.00 0.00 N ATOM 1377 CA VAL A 91 6.980 -1.618 14.659 1.00 0.00 C ATOM 1378 C VAL A 91 6.396 -1.776 16.021 1.00 0.00 C ATOM 1379 O VAL A 91 6.832 -2.640 16.780 1.00 0.00 O ATOM 1380 CB VAL A 91 7.888 -0.430 14.540 1.00 0.00 C ATOM 1381 CG1 VAL A 91 8.855 -0.188 15.711 1.00 0.00 C ATOM 1382 CG2 VAL A 91 8.876 -0.715 13.397 1.00 0.00 C ATOM 0 H VAL A 91 5.778 -0.507 13.430 1.00 0.00 H new ATOM 0 HA VAL A 91 7.586 -2.500 14.450 1.00 0.00 H new ATOM 0 HB VAL A 91 7.204 0.412 14.440 1.00 0.00 H new ATOM 0 HG11 VAL A 91 9.457 0.698 15.508 1.00 0.00 H new ATOM 0 HG12 VAL A 91 8.285 -0.037 16.628 1.00 0.00 H new ATOM 0 HG13 VAL A 91 9.509 -1.052 15.828 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.554 0.131 13.282 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.451 -1.612 13.628 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.325 -0.867 12.469 1.00 0.00 H new ATOM 1392 N PHE A 92 5.241 -1.142 16.292 1.00 0.00 N ATOM 1393 CA PHE A 92 4.470 -1.393 17.471 1.00 0.00 C ATOM 1394 C PHE A 92 3.571 -2.580 17.454 1.00 0.00 C ATOM 1395 O PHE A 92 3.677 -3.388 18.375 1.00 0.00 O ATOM 1396 CB PHE A 92 3.516 -0.230 17.792 1.00 0.00 C ATOM 1397 CG PHE A 92 4.211 0.959 18.359 1.00 0.00 C ATOM 1398 CD1 PHE A 92 4.807 0.810 19.589 1.00 0.00 C ATOM 1399 CD2 PHE A 92 4.154 2.171 17.712 1.00 0.00 C ATOM 1400 CE1 PHE A 92 5.280 1.919 20.251 1.00 0.00 C ATOM 1401 CE2 PHE A 92 4.641 3.274 18.374 1.00 0.00 C ATOM 1402 CZ PHE A 92 5.201 3.139 19.622 1.00 0.00 C ATOM 0 H PHE A 92 4.833 -0.438 15.677 1.00 0.00 H new ATOM 0 HA PHE A 92 5.266 -1.549 18.199 1.00 0.00 H new ATOM 0 HB2 PHE A 92 2.992 0.063 16.882 1.00 0.00 H new ATOM 0 HB3 PHE A 92 2.761 -0.573 18.499 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.903 -0.170 20.032 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.741 2.254 16.718 1.00 0.00 H new ATOM 0 HE1 PHE A 92 5.703 1.834 21.241 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.583 4.249 17.912 1.00 0.00 H new ATOM 0 HZ PHE A 92 5.589 4.014 20.122 1.00 0.00 H new ATOM 1412 N ASP A 93 2.723 -2.777 16.428 1.00 0.00 N ATOM 1413 CA ASP A 93 1.856 -3.914 16.444 1.00 0.00 C ATOM 1414 C ASP A 93 2.527 -5.245 16.445 1.00 0.00 C ATOM 1415 O ASP A 93 3.080 -5.684 15.439 1.00 0.00 O ATOM 1416 CB ASP A 93 0.821 -3.780 15.314 1.00 0.00 C ATOM 1417 CG ASP A 93 -0.390 -4.654 15.608 1.00 0.00 C ATOM 1418 OD1 ASP A 93 -0.426 -5.271 16.706 1.00 0.00 O ATOM 1419 OD2 ASP A 93 -1.341 -4.608 14.783 1.00 0.00 O ATOM 0 H ASP A 93 2.638 -2.171 15.612 1.00 0.00 H new ATOM 0 HA ASP A 93 1.357 -3.900 17.413 1.00 0.00 H new ATOM 0 HB2 ASP A 93 0.513 -2.739 15.214 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.268 -4.072 14.364 1.00 0.00 H new ATOM 1424 N LYS A 94 2.570 -5.945 17.593 1.00 0.00 N ATOM 1425 CA LYS A 94 3.311 -7.162 17.721 1.00 0.00 C ATOM 1426 C LYS A 94 2.561 -8.322 17.164 1.00 0.00 C ATOM 1427 O LYS A 94 3.154 -9.191 16.526 1.00 0.00 O ATOM 1428 CB LYS A 94 3.723 -7.401 19.183 1.00 0.00 C ATOM 1429 CG LYS A 94 4.713 -6.371 19.730 1.00 0.00 C ATOM 1430 CD LYS A 94 6.139 -6.294 19.180 1.00 0.00 C ATOM 1431 CE LYS A 94 6.403 -5.134 18.217 1.00 0.00 C ATOM 1432 NZ LYS A 94 7.821 -5.147 17.794 1.00 0.00 N ATOM 0 H LYS A 94 2.084 -5.663 18.444 1.00 0.00 H new ATOM 0 HA LYS A 94 4.222 -7.061 17.132 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.829 -7.396 19.806 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.165 -8.394 19.267 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.262 -5.388 19.593 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.791 -6.539 20.804 1.00 0.00 H new ATOM 0 HD2 LYS A 94 6.831 -6.214 20.018 1.00 0.00 H new ATOM 0 HD3 LYS A 94 6.365 -7.229 18.668 1.00 0.00 H new ATOM 0 HE2 LYS A 94 5.753 -5.217 17.346 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.167 -4.186 18.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.038 -4.269 17.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.433 -5.218 18.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.990 -5.963 17.172 1.00 0.00 H new ATOM 1446 N ASP A 95 1.242 -8.401 17.418 1.00 0.00 N ATOM 1447 CA ASP A 95 0.499 -9.554 17.017 1.00 0.00 C ATOM 1448 C ASP A 95 -0.058 -9.358 15.649 1.00 0.00 C ATOM 1449 O ASP A 95 -0.484 -10.282 14.959 1.00 0.00 O ATOM 1450 CB ASP A 95 -0.609 -9.774 18.061 1.00 0.00 C ATOM 1451 CG ASP A 95 -1.460 -8.551 18.374 1.00 0.00 C ATOM 1452 OD1 ASP A 95 -1.912 -7.848 17.431 1.00 0.00 O ATOM 1453 OD2 ASP A 95 -1.568 -8.160 19.567 1.00 0.00 O ATOM 0 H ASP A 95 0.698 -7.680 17.893 1.00 0.00 H new ATOM 0 HA ASP A 95 1.137 -10.437 16.971 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -1.264 -10.571 17.709 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -0.150 -10.123 18.986 1.00 0.00 H new ATOM 1458 N GLY A 96 0.007 -8.103 15.170 1.00 0.00 N ATOM 1459 CA GLY A 96 -0.445 -7.761 13.857 1.00 0.00 C ATOM 1460 C GLY A 96 -1.896 -7.666 13.530 1.00 0.00 C ATOM 1461 O GLY A 96 -2.369 -7.795 12.403 1.00 0.00 O ATOM 0 H GLY A 96 0.378 -7.315 15.701 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.002 -6.796 13.611 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.014 -8.493 13.174 1.00 0.00 H new ATOM 1465 N ASN A 97 -2.663 -7.376 14.596 1.00 0.00 N ATOM 1466 CA ASN A 97 -4.078 -7.414 14.390 1.00 0.00 C ATOM 1467 C ASN A 97 -4.568 -6.112 13.858 1.00 0.00 C ATOM 1468 O ASN A 97 -5.615 -6.042 13.216 1.00 0.00 O ATOM 1469 CB ASN A 97 -4.815 -7.857 15.666 1.00 0.00 C ATOM 1470 CG ASN A 97 -4.845 -6.831 16.790 1.00 0.00 C ATOM 1471 OD1 ASN A 97 -3.980 -5.967 16.926 1.00 0.00 O ATOM 1472 ND2 ASN A 97 -5.871 -6.963 17.672 1.00 0.00 N ATOM 0 H ASN A 97 -2.339 -7.133 15.532 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.301 -8.167 13.633 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.841 -8.113 15.403 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.345 -8.767 16.040 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -5.939 -6.336 18.473 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.573 -7.689 17.532 1.00 0.00 H new ATOM 1479 N GLY A 98 -3.778 -5.045 14.077 1.00 0.00 N ATOM 1480 CA GLY A 98 -4.059 -3.734 13.581 1.00 0.00 C ATOM 1481 C GLY A 98 -4.455 -2.708 14.587 1.00 0.00 C ATOM 1482 O GLY A 98 -4.957 -1.610 14.354 1.00 0.00 O ATOM 0 H GLY A 98 -2.915 -5.097 14.618 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.175 -3.372 13.056 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.858 -3.813 12.843 1.00 0.00 H new ATOM 1486 N TYR A 99 -4.273 -3.094 15.863 1.00 0.00 N ATOM 1487 CA TYR A 99 -4.478 -2.278 17.019 1.00 0.00 C ATOM 1488 C TYR A 99 -3.389 -2.309 18.035 1.00 0.00 C ATOM 1489 O TYR A 99 -2.827 -3.358 18.347 1.00 0.00 O ATOM 1490 CB TYR A 99 -5.675 -2.892 17.765 1.00 0.00 C ATOM 1491 CG TYR A 99 -6.859 -2.964 16.863 1.00 0.00 C ATOM 1492 CD1 TYR A 99 -7.526 -1.775 16.678 1.00 0.00 C ATOM 1493 CD2 TYR A 99 -7.289 -4.059 16.153 1.00 0.00 C ATOM 1494 CE1 TYR A 99 -8.682 -1.719 15.936 1.00 0.00 C ATOM 1495 CE2 TYR A 99 -8.357 -4.013 15.288 1.00 0.00 C ATOM 1496 CZ TYR A 99 -9.050 -2.828 15.211 1.00 0.00 C ATOM 1497 OH TYR A 99 -10.198 -2.785 14.391 1.00 0.00 O ATOM 0 H TYR A 99 -3.963 -4.036 16.101 1.00 0.00 H new ATOM 0 HA TYR A 99 -4.577 -1.257 16.650 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -5.418 -3.890 18.121 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -5.913 -2.291 18.643 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -7.135 -0.872 17.123 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -6.766 -4.995 16.280 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -9.287 -0.825 15.923 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -8.639 -4.870 14.695 1.00 0.00 H new ATOM 0 HH TYR A 99 -10.316 -3.651 13.947 1.00 0.00 H new ATOM 1507 N ILE A 100 -2.908 -1.115 18.425 1.00 0.00 N ATOM 1508 CA ILE A 100 -1.880 -0.995 19.412 1.00 0.00 C ATOM 1509 C ILE A 100 -2.469 -0.969 20.780 1.00 0.00 C ATOM 1510 O ILE A 100 -3.190 -0.033 21.121 1.00 0.00 O ATOM 1511 CB ILE A 100 -0.871 0.085 19.154 1.00 0.00 C ATOM 1512 CG1 ILE A 100 -0.077 -0.057 17.844 1.00 0.00 C ATOM 1513 CG2 ILE A 100 0.143 0.263 20.297 1.00 0.00 C ATOM 1514 CD1 ILE A 100 0.329 1.278 17.222 1.00 0.00 C ATOM 0 H ILE A 100 -3.235 -0.224 18.052 1.00 0.00 H new ATOM 0 HA ILE A 100 -1.271 -1.896 19.334 1.00 0.00 H new ATOM 0 HB ILE A 100 -1.507 0.966 19.074 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.820 -0.646 18.036 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.677 -0.615 17.125 1.00 0.00 H new ATOM 0 HG21 ILE A 100 0.842 1.060 20.043 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -0.385 0.523 21.215 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.692 -0.667 20.445 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.885 1.097 16.302 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.564 1.861 16.997 1.00 0.00 H new ATOM 0 HD13 ILE A 100 0.956 1.830 17.922 1.00 0.00 H new ATOM 1526 N SER A 101 -2.221 -1.983 21.628 1.00 0.00 N ATOM 1527 CA SER A 101 -2.654 -1.894 22.988 1.00 0.00 C ATOM 1528 C SER A 101 -1.555 -1.244 23.756 1.00 0.00 C ATOM 1529 O SER A 101 -0.413 -1.207 23.300 1.00 0.00 O ATOM 1530 CB SER A 101 -3.105 -3.280 23.479 1.00 0.00 C ATOM 1531 OG SER A 101 -2.066 -4.247 23.435 1.00 0.00 O ATOM 0 H SER A 101 -1.733 -2.844 21.381 1.00 0.00 H new ATOM 0 HA SER A 101 -3.537 -1.271 23.126 1.00 0.00 H new ATOM 0 HB2 SER A 101 -3.473 -3.196 24.502 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.940 -3.623 22.867 1.00 0.00 H new ATOM 0 HG SER A 101 -2.406 -5.107 23.759 1.00 0.00 H new ATOM 1537 N ALA A 102 -1.838 -0.870 25.017 1.00 0.00 N ATOM 1538 CA ALA A 102 -0.857 -0.371 25.930 1.00 0.00 C ATOM 1539 C ALA A 102 0.336 -1.224 26.189 1.00 0.00 C ATOM 1540 O ALA A 102 1.455 -0.723 26.289 1.00 0.00 O ATOM 1541 CB ALA A 102 -1.502 -0.195 27.315 1.00 0.00 C ATOM 0 H ALA A 102 -2.777 -0.916 25.413 1.00 0.00 H new ATOM 0 HA ALA A 102 -0.514 0.539 25.438 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -0.759 0.185 28.016 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -2.329 0.511 27.244 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.875 -1.157 27.667 1.00 0.00 H new ATOM 1547 N ALA A 103 0.236 -2.565 26.169 1.00 0.00 N ATOM 1548 CA ALA A 103 1.378 -3.424 26.217 1.00 0.00 C ATOM 1549 C ALA A 103 2.361 -3.285 25.106 1.00 0.00 C ATOM 1550 O ALA A 103 3.581 -3.240 25.257 1.00 0.00 O ATOM 1551 CB ALA A 103 1.087 -4.925 26.381 1.00 0.00 C ATOM 0 H ALA A 103 -0.654 -3.062 26.119 1.00 0.00 H new ATOM 0 HA ALA A 103 1.825 -3.040 27.134 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.026 -5.477 26.405 1.00 0.00 H new ATOM 0 HB2 ALA A 103 0.545 -5.091 27.312 1.00 0.00 H new ATOM 0 HB3 ALA A 103 0.483 -5.272 25.543 1.00 0.00 H new ATOM 1557 N GLU A 104 1.911 -3.251 23.839 1.00 0.00 N ATOM 1558 CA GLU A 104 2.723 -3.129 22.668 1.00 0.00 C ATOM 1559 C GLU A 104 3.375 -1.803 22.479 1.00 0.00 C ATOM 1560 O GLU A 104 4.580 -1.773 22.232 1.00 0.00 O ATOM 1561 CB GLU A 104 1.870 -3.490 21.440 1.00 0.00 C ATOM 1562 CG GLU A 104 0.655 -4.356 21.778 1.00 0.00 C ATOM 1563 CD GLU A 104 -0.116 -4.719 20.517 1.00 0.00 C ATOM 1564 OE1 GLU A 104 0.430 -5.359 19.578 1.00 0.00 O ATOM 1565 OE2 GLU A 104 -1.329 -4.382 20.465 1.00 0.00 O ATOM 0 H GLU A 104 0.917 -3.313 23.619 1.00 0.00 H new ATOM 0 HA GLU A 104 3.555 -3.822 22.797 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.531 -2.572 20.960 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.492 -4.017 20.717 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.980 -5.264 22.286 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.002 -3.821 22.468 1.00 0.00 H new ATOM 1572 N LEU A 105 2.706 -0.691 22.833 1.00 0.00 N ATOM 1573 CA LEU A 105 3.312 0.594 22.990 1.00 0.00 C ATOM 1574 C LEU A 105 4.331 0.633 24.076 1.00 0.00 C ATOM 1575 O LEU A 105 5.402 1.203 23.875 1.00 0.00 O ATOM 1576 CB LEU A 105 2.217 1.672 23.067 1.00 0.00 C ATOM 1577 CG LEU A 105 2.704 3.114 22.847 1.00 0.00 C ATOM 1578 CD1 LEU A 105 2.199 3.807 21.570 1.00 0.00 C ATOM 1579 CD2 LEU A 105 2.375 3.943 24.100 1.00 0.00 C ATOM 0 H LEU A 105 1.703 -0.688 23.017 1.00 0.00 H new ATOM 0 HA LEU A 105 3.908 0.821 22.106 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.453 1.446 22.323 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.738 1.612 24.044 1.00 0.00 H new ATOM 0 HG LEU A 105 3.780 3.049 22.687 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.605 4.817 21.519 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.523 3.241 20.697 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.110 3.854 21.588 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.715 4.969 23.957 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.298 3.938 24.267 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.878 3.511 24.965 1.00 0.00 H new ATOM 1591 N ARG A 106 4.169 -0.055 25.220 1.00 0.00 N ATOM 1592 CA ARG A 106 5.135 0.036 26.270 1.00 0.00 C ATOM 1593 C ARG A 106 6.366 -0.760 26.001 1.00 0.00 C ATOM 1594 O ARG A 106 7.472 -0.224 26.057 1.00 0.00 O ATOM 1595 CB ARG A 106 4.548 -0.424 27.615 1.00 0.00 C ATOM 1596 CG ARG A 106 5.529 -0.602 28.776 1.00 0.00 C ATOM 1597 CD ARG A 106 4.901 -0.655 30.170 1.00 0.00 C ATOM 1598 NE ARG A 106 6.024 -1.115 31.034 1.00 0.00 N ATOM 1599 CZ ARG A 106 6.477 -0.527 32.180 1.00 0.00 C ATOM 1600 NH1 ARG A 106 5.652 0.341 32.834 1.00 0.00 N ATOM 1601 NH2 ARG A 106 7.664 -0.903 32.739 1.00 0.00 N ATOM 0 H ARG A 106 3.378 -0.668 25.417 1.00 0.00 H new ATOM 0 HA ARG A 106 5.407 1.090 26.317 1.00 0.00 H new ATOM 0 HB2 ARG A 106 3.791 0.299 27.919 1.00 0.00 H new ATOM 0 HB3 ARG A 106 4.037 -1.373 27.455 1.00 0.00 H new ATOM 0 HG2 ARG A 106 6.091 -1.522 28.615 1.00 0.00 H new ATOM 0 HG3 ARG A 106 6.246 0.218 28.751 1.00 0.00 H new ATOM 0 HD2 ARG A 106 4.528 0.321 30.481 1.00 0.00 H new ATOM 0 HD3 ARG A 106 4.058 -1.345 30.205 1.00 0.00 H new ATOM 0 HE ARG A 106 6.508 -1.962 30.737 1.00 0.00 H new ATOM 0 HH11 ARG A 106 4.722 0.537 32.465 1.00 0.00 H new ATOM 0 HH12 ARG A 106 5.966 0.794 33.692 1.00 0.00 H new ATOM 0 HH21 ARG A 106 8.226 -1.633 32.300 1.00 0.00 H new ATOM 0 HH22 ARG A 106 7.989 -0.454 33.595 1.00 0.00 H new ATOM 1615 N HIS A 107 6.236 -1.996 25.487 1.00 0.00 N ATOM 1616 CA HIS A 107 7.240 -2.879 24.980 1.00 0.00 C ATOM 1617 C HIS A 107 8.116 -2.197 23.986 1.00 0.00 C ATOM 1618 O HIS A 107 9.335 -2.291 24.119 1.00 0.00 O ATOM 1619 CB HIS A 107 6.572 -4.065 24.263 1.00 0.00 C ATOM 1620 CG HIS A 107 7.571 -5.071 23.775 1.00 0.00 C ATOM 1621 ND1 HIS A 107 8.494 -5.019 22.777 1.00 0.00 N flip ATOM 1622 CD2 HIS A 107 7.631 -6.360 24.264 1.00 0.00 C flip ATOM 1623 CE1 HIS A 107 9.101 -6.250 22.635 1.00 0.00 C flip ATOM 1624 NE2 HIS A 107 8.582 -7.033 23.562 1.00 0.00 N flip ATOM 0 H HIS A 107 5.313 -2.425 25.421 1.00 0.00 H new ATOM 0 HA HIS A 107 7.838 -3.211 25.829 1.00 0.00 H new ATOM 0 HB2 HIS A 107 5.873 -4.551 24.944 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.990 -3.695 23.419 1.00 0.00 H new ATOM 0 HD2 HIS A 107 7.028 -6.764 25.064 1.00 0.00 H new ATOM 0 HE1 HIS A 107 9.853 -6.520 21.908 1.00 0.00 H new ATOM 0 HE2 HIS A 107 8.854 -8.002 23.728 1.00 0.00 H new ATOM 1632 N VAL A 108 7.583 -1.532 22.946 1.00 0.00 N ATOM 1633 CA VAL A 108 8.430 -0.895 21.985 1.00 0.00 C ATOM 1634 C VAL A 108 9.030 0.328 22.589 1.00 0.00 C ATOM 1635 O VAL A 108 10.207 0.575 22.329 1.00 0.00 O ATOM 1636 CB VAL A 108 7.675 -0.631 20.717 1.00 0.00 C ATOM 1637 CG1 VAL A 108 8.303 0.244 19.619 1.00 0.00 C ATOM 1638 CG2 VAL A 108 7.279 -1.984 20.101 1.00 0.00 C ATOM 0 H VAL A 108 6.583 -1.435 22.771 1.00 0.00 H new ATOM 0 HA VAL A 108 9.255 -1.552 21.710 1.00 0.00 H new ATOM 0 HB VAL A 108 6.844 -0.013 21.058 1.00 0.00 H new ATOM 0 HG11 VAL A 108 7.614 0.324 18.778 1.00 0.00 H new ATOM 0 HG12 VAL A 108 8.506 1.238 20.017 1.00 0.00 H new ATOM 0 HG13 VAL A 108 9.235 -0.209 19.282 1.00 0.00 H new ATOM 0 HG21 VAL A 108 6.728 -1.815 19.176 1.00 0.00 H new ATOM 0 HG22 VAL A 108 8.177 -2.563 19.888 1.00 0.00 H new ATOM 0 HG23 VAL A 108 6.651 -2.533 20.802 1.00 0.00 H new ATOM 1648 N MET A 109 8.324 1.055 23.473 1.00 0.00 N ATOM 1649 CA MET A 109 9.022 2.160 24.052 1.00 0.00 C ATOM 1650 C MET A 109 10.116 1.808 25.001 1.00 0.00 C ATOM 1651 O MET A 109 11.079 2.514 25.300 1.00 0.00 O ATOM 1652 CB MET A 109 7.994 2.965 24.864 1.00 0.00 C ATOM 1653 CG MET A 109 7.192 3.818 23.879 1.00 0.00 C ATOM 1654 SD MET A 109 8.149 5.120 23.046 1.00 0.00 S ATOM 1655 CE MET A 109 6.932 6.464 22.945 1.00 0.00 C ATOM 0 H MET A 109 7.359 0.902 23.767 1.00 0.00 H new ATOM 0 HA MET A 109 9.485 2.691 23.220 1.00 0.00 H new ATOM 0 HB2 MET A 109 7.334 2.296 25.417 1.00 0.00 H new ATOM 0 HB3 MET A 109 8.495 3.596 25.598 1.00 0.00 H new ATOM 0 HG2 MET A 109 6.759 3.164 23.122 1.00 0.00 H new ATOM 0 HG3 MET A 109 6.362 4.281 24.413 1.00 0.00 H new ATOM 0 HE1 MET A 109 7.383 7.327 22.456 1.00 0.00 H new ATOM 0 HE2 MET A 109 6.069 6.131 22.369 1.00 0.00 H new ATOM 0 HE3 MET A 109 6.613 6.742 23.949 1.00 0.00 H new ATOM 1665 N THR A 110 10.063 0.564 25.509 1.00 0.00 N ATOM 1666 CA THR A 110 11.133 0.135 26.356 1.00 0.00 C ATOM 1667 C THR A 110 12.408 -0.241 25.684 1.00 0.00 C ATOM 1668 O THR A 110 13.477 -0.192 26.290 1.00 0.00 O ATOM 1669 CB THR A 110 10.808 -1.004 27.277 1.00 0.00 C ATOM 1670 OG1 THR A 110 10.020 -2.025 26.682 1.00 0.00 O ATOM 1671 CG2 THR A 110 9.975 -0.469 28.453 1.00 0.00 C ATOM 0 H THR A 110 9.320 -0.116 25.346 1.00 0.00 H new ATOM 0 HA THR A 110 11.274 1.060 26.914 1.00 0.00 H new ATOM 0 HB THR A 110 11.769 -1.428 27.569 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.119 -1.989 25.708 1.00 0.00 H new ATOM 0 HG21 THR A 110 9.733 -1.288 29.130 1.00 0.00 H new ATOM 0 HG22 THR A 110 10.547 0.288 28.990 1.00 0.00 H new ATOM 0 HG23 THR A 110 9.054 -0.026 28.075 1.00 0.00 H new ATOM 1679 N ASN A 111 12.304 -0.682 24.418 1.00 0.00 N ATOM 1680 CA ASN A 111 13.468 -1.034 23.665 1.00 0.00 C ATOM 1681 C ASN A 111 14.241 0.201 23.352 1.00 0.00 C ATOM 1682 O ASN A 111 15.461 0.249 23.498 1.00 0.00 O ATOM 1683 CB ASN A 111 13.171 -1.625 22.277 1.00 0.00 C ATOM 1684 CG ASN A 111 12.345 -2.900 22.375 1.00 0.00 C ATOM 1685 OD1 ASN A 111 11.197 -3.014 21.948 1.00 0.00 O ATOM 1686 ND2 ASN A 111 12.934 -3.870 23.124 1.00 0.00 N ATOM 0 H ASN A 111 11.422 -0.794 23.919 1.00 0.00 H new ATOM 0 HA ASN A 111 13.985 -1.765 24.286 1.00 0.00 H new ATOM 0 HB2 ASN A 111 12.637 -0.890 21.675 1.00 0.00 H new ATOM 0 HB3 ASN A 111 14.109 -1.837 21.763 1.00 0.00 H new ATOM 0 HD21 ASN A 111 12.422 -4.724 23.347 1.00 0.00 H new ATOM 0 HD22 ASN A 111 13.888 -3.744 23.463 1.00 0.00 H new ATOM 1693 N LEU A 112 13.542 1.317 23.078 1.00 0.00 N ATOM 1694 CA LEU A 112 13.980 2.659 22.849 1.00 0.00 C ATOM 1695 C LEU A 112 14.637 3.307 24.018 1.00 0.00 C ATOM 1696 O LEU A 112 15.411 4.251 23.867 1.00 0.00 O ATOM 1697 CB LEU A 112 12.880 3.593 22.316 1.00 0.00 C ATOM 1698 CG LEU A 112 12.188 3.284 20.978 1.00 0.00 C ATOM 1699 CD1 LEU A 112 10.861 4.005 20.686 1.00 0.00 C ATOM 1700 CD2 LEU A 112 13.183 3.356 19.807 1.00 0.00 C ATOM 0 H LEU A 112 12.526 1.264 23.009 1.00 0.00 H new ATOM 0 HA LEU A 112 14.733 2.524 22.072 1.00 0.00 H new ATOM 0 HB2 LEU A 112 12.102 3.645 23.078 1.00 0.00 H new ATOM 0 HB3 LEU A 112 13.313 4.590 22.234 1.00 0.00 H new ATOM 0 HG LEU A 112 11.851 2.254 21.094 1.00 0.00 H new ATOM 0 HD11 LEU A 112 10.485 3.694 19.711 1.00 0.00 H new ATOM 0 HD12 LEU A 112 10.132 3.750 21.455 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.025 5.083 20.685 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.664 3.133 18.875 1.00 0.00 H new ATOM 0 HD22 LEU A 112 13.610 4.357 19.754 1.00 0.00 H new ATOM 0 HD23 LEU A 112 13.980 2.629 19.962 1.00 0.00 H new ATOM 1712 N GLY A 113 14.369 2.825 25.245 1.00 0.00 N ATOM 1713 CA GLY A 113 14.798 3.302 26.523 1.00 0.00 C ATOM 1714 C GLY A 113 14.092 4.515 27.021 1.00 0.00 C ATOM 1715 O GLY A 113 14.611 5.249 27.861 1.00 0.00 O ATOM 0 H GLY A 113 13.779 2.000 25.349 1.00 0.00 H new ATOM 0 HA2 GLY A 113 14.670 2.502 27.252 1.00 0.00 H new ATOM 0 HA3 GLY A 113 15.865 3.518 26.472 1.00 0.00 H new ATOM 1719 N GLU A 114 12.794 4.629 26.685 1.00 0.00 N ATOM 1720 CA GLU A 114 11.896 5.662 27.100 1.00 0.00 C ATOM 1721 C GLU A 114 11.330 5.307 28.432 1.00 0.00 C ATOM 1722 O GLU A 114 10.950 4.157 28.646 1.00 0.00 O ATOM 1723 CB GLU A 114 10.798 5.929 26.056 1.00 0.00 C ATOM 1724 CG GLU A 114 9.973 7.209 26.202 1.00 0.00 C ATOM 1725 CD GLU A 114 10.760 8.511 26.153 1.00 0.00 C ATOM 1726 OE1 GLU A 114 11.216 8.877 25.036 1.00 0.00 O ATOM 1727 OE2 GLU A 114 10.979 9.171 27.204 1.00 0.00 O ATOM 0 H GLU A 114 12.340 3.947 26.078 1.00 0.00 H new ATOM 0 HA GLU A 114 12.449 6.597 27.189 1.00 0.00 H new ATOM 0 HB2 GLU A 114 11.267 5.943 25.072 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.110 5.084 26.069 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.224 7.229 25.410 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.435 7.167 27.149 1.00 0.00 H new ATOM 1734 N LYS A 115 11.405 6.272 29.365 1.00 0.00 N ATOM 1735 CA LYS A 115 11.083 6.146 30.753 1.00 0.00 C ATOM 1736 C LYS A 115 9.643 6.459 30.969 1.00 0.00 C ATOM 1737 O LYS A 115 9.252 7.597 31.221 1.00 0.00 O ATOM 1738 CB LYS A 115 12.002 6.979 31.663 1.00 0.00 C ATOM 1739 CG LYS A 115 13.500 6.708 31.821 1.00 0.00 C ATOM 1740 CD LYS A 115 14.131 7.624 32.871 1.00 0.00 C ATOM 1741 CE LYS A 115 13.933 9.135 32.736 1.00 0.00 C ATOM 1742 NZ LYS A 115 13.967 9.746 31.388 1.00 0.00 N ATOM 0 H LYS A 115 11.715 7.215 29.129 1.00 0.00 H new ATOM 0 HA LYS A 115 11.261 5.110 31.041 1.00 0.00 H new ATOM 0 HB2 LYS A 115 11.910 8.013 31.330 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.573 6.927 32.664 1.00 0.00 H new ATOM 0 HG2 LYS A 115 13.654 5.667 32.106 1.00 0.00 H new ATOM 0 HG3 LYS A 115 14.000 6.853 30.863 1.00 0.00 H new ATOM 0 HD2 LYS A 115 13.746 7.325 33.846 1.00 0.00 H new ATOM 0 HD3 LYS A 115 15.204 7.430 32.879 1.00 0.00 H new ATOM 0 HE2 LYS A 115 12.971 9.382 33.185 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.700 9.622 33.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 14.431 10.675 31.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 14.498 9.129 30.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 12.996 9.864 31.036 1.00 0.00 H new ATOM 1756 N LEU A 116 8.835 5.383 30.965 1.00 0.00 N ATOM 1757 CA LEU A 116 7.408 5.425 31.059 1.00 0.00 C ATOM 1758 C LEU A 116 7.047 4.581 32.232 1.00 0.00 C ATOM 1759 O LEU A 116 7.675 3.547 32.454 1.00 0.00 O ATOM 1760 CB LEU A 116 6.650 4.901 29.828 1.00 0.00 C ATOM 1761 CG LEU A 116 6.839 5.813 28.603 1.00 0.00 C ATOM 1762 CD1 LEU A 116 6.212 5.156 27.362 1.00 0.00 C ATOM 1763 CD2 LEU A 116 6.133 7.174 28.716 1.00 0.00 C ATOM 0 H LEU A 116 9.198 4.432 30.892 1.00 0.00 H new ATOM 0 HA LEU A 116 7.115 6.471 31.147 1.00 0.00 H new ATOM 0 HB2 LEU A 116 6.998 3.896 29.589 1.00 0.00 H new ATOM 0 HB3 LEU A 116 5.588 4.824 30.062 1.00 0.00 H new ATOM 0 HG LEU A 116 7.917 5.960 28.535 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.349 5.806 26.498 1.00 0.00 H new ATOM 0 HD12 LEU A 116 6.695 4.197 27.175 1.00 0.00 H new ATOM 0 HD13 LEU A 116 5.147 4.999 27.533 1.00 0.00 H new ATOM 0 HD21 LEU A 116 6.316 7.755 27.812 1.00 0.00 H new ATOM 0 HD22 LEU A 116 5.061 7.019 28.837 1.00 0.00 H new ATOM 0 HD23 LEU A 116 6.521 7.714 29.580 1.00 0.00 H new ATOM 1775 N THR A 117 6.021 5.013 32.988 1.00 0.00 N ATOM 1776 CA THR A 117 5.201 4.167 33.798 1.00 0.00 C ATOM 1777 C THR A 117 4.034 3.834 32.933 1.00 0.00 C ATOM 1778 O THR A 117 3.777 4.413 31.879 1.00 0.00 O ATOM 1779 CB THR A 117 4.752 4.787 35.088 1.00 0.00 C ATOM 1780 OG1 THR A 117 4.043 6.015 35.008 1.00 0.00 O ATOM 1781 CG2 THR A 117 6.058 5.115 35.831 1.00 0.00 C ATOM 0 H THR A 117 5.752 5.996 33.036 1.00 0.00 H new ATOM 0 HA THR A 117 5.769 3.294 34.119 1.00 0.00 H new ATOM 0 HB THR A 117 4.062 4.080 35.549 1.00 0.00 H new ATOM 0 HG1 THR A 117 4.583 6.673 34.522 1.00 0.00 H new ATOM 0 HG21 THR A 117 5.825 5.575 36.791 1.00 0.00 H new ATOM 0 HG22 THR A 117 6.623 4.198 35.996 1.00 0.00 H new ATOM 0 HG23 THR A 117 6.653 5.805 35.233 1.00 0.00 H new ATOM 1789 N ASP A 118 3.208 2.894 33.427 1.00 0.00 N ATOM 1790 CA ASP A 118 1.972 2.401 32.904 1.00 0.00 C ATOM 1791 C ASP A 118 0.938 3.472 32.850 1.00 0.00 C ATOM 1792 O ASP A 118 0.199 3.509 31.868 1.00 0.00 O ATOM 1793 CB ASP A 118 1.562 1.252 33.841 1.00 0.00 C ATOM 1794 CG ASP A 118 2.615 0.154 33.801 1.00 0.00 C ATOM 1795 OD1 ASP A 118 2.917 -0.295 32.663 1.00 0.00 O ATOM 1796 OD2 ASP A 118 3.343 -0.066 34.805 1.00 0.00 O ATOM 0 H ASP A 118 3.440 2.424 34.302 1.00 0.00 H new ATOM 0 HA ASP A 118 2.077 2.054 31.876 1.00 0.00 H new ATOM 0 HB2 ASP A 118 1.449 1.624 34.859 1.00 0.00 H new ATOM 0 HB3 ASP A 118 0.594 0.852 33.539 1.00 0.00 H new ATOM 1801 N GLU A 119 0.851 4.433 33.787 1.00 0.00 N ATOM 1802 CA GLU A 119 -0.070 5.507 33.583 1.00 0.00 C ATOM 1803 C GLU A 119 0.363 6.496 32.556 1.00 0.00 C ATOM 1804 O GLU A 119 -0.502 6.968 31.820 1.00 0.00 O ATOM 1805 CB GLU A 119 -0.276 6.197 34.943 1.00 0.00 C ATOM 1806 CG GLU A 119 -1.434 7.195 34.875 1.00 0.00 C ATOM 1807 CD GLU A 119 -1.421 8.114 36.088 1.00 0.00 C ATOM 1808 OE1 GLU A 119 -0.737 9.172 36.067 1.00 0.00 O ATOM 1809 OE2 GLU A 119 -2.181 7.918 37.074 1.00 0.00 O ATOM 0 H GLU A 119 1.393 4.469 34.650 1.00 0.00 H new ATOM 0 HA GLU A 119 -0.998 5.089 33.192 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -0.479 5.448 35.709 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.638 6.713 35.236 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.358 7.787 33.963 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -2.382 6.658 34.829 1.00 0.00 H new ATOM 1816 N GLU A 120 1.669 6.780 32.405 1.00 0.00 N ATOM 1817 CA GLU A 120 2.211 7.468 31.275 1.00 0.00 C ATOM 1818 C GLU A 120 1.963 6.861 29.937 1.00 0.00 C ATOM 1819 O GLU A 120 1.668 7.519 28.940 1.00 0.00 O ATOM 1820 CB GLU A 120 3.701 7.695 31.582 1.00 0.00 C ATOM 1821 CG GLU A 120 3.872 8.726 32.699 1.00 0.00 C ATOM 1822 CD GLU A 120 5.344 8.731 33.087 1.00 0.00 C ATOM 1823 OE1 GLU A 120 5.785 7.691 33.644 1.00 0.00 O ATOM 1824 OE2 GLU A 120 6.084 9.741 32.939 1.00 0.00 O ATOM 0 H GLU A 120 2.373 6.521 33.096 1.00 0.00 H new ATOM 0 HA GLU A 120 1.674 8.409 31.158 1.00 0.00 H new ATOM 0 HB2 GLU A 120 4.164 6.753 31.876 1.00 0.00 H new ATOM 0 HB3 GLU A 120 4.215 8.037 30.683 1.00 0.00 H new ATOM 0 HG2 GLU A 120 3.560 9.714 32.361 1.00 0.00 H new ATOM 0 HG3 GLU A 120 3.249 8.471 33.556 1.00 0.00 H new ATOM 1831 N VAL A 121 2.046 5.520 29.865 1.00 0.00 N ATOM 1832 CA VAL A 121 1.740 4.727 28.715 1.00 0.00 C ATOM 1833 C VAL A 121 0.281 4.826 28.428 1.00 0.00 C ATOM 1834 O VAL A 121 -0.132 5.180 27.325 1.00 0.00 O ATOM 1835 CB VAL A 121 2.053 3.263 28.797 1.00 0.00 C ATOM 1836 CG1 VAL A 121 1.385 2.375 27.733 1.00 0.00 C ATOM 1837 CG2 VAL A 121 3.552 2.948 28.928 1.00 0.00 C ATOM 0 H VAL A 121 2.346 4.955 30.660 1.00 0.00 H new ATOM 0 HA VAL A 121 2.386 5.140 27.941 1.00 0.00 H new ATOM 0 HB VAL A 121 1.580 2.986 29.739 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.681 1.337 27.887 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.302 2.460 27.817 1.00 0.00 H new ATOM 0 HG13 VAL A 121 1.699 2.698 26.740 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.694 1.869 28.981 1.00 0.00 H new ATOM 0 HG22 VAL A 121 4.084 3.341 28.061 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.943 3.411 29.834 1.00 0.00 H new ATOM 1847 N ASP A 122 -0.557 4.624 29.460 1.00 0.00 N ATOM 1848 CA ASP A 122 -1.969 4.737 29.259 1.00 0.00 C ATOM 1849 C ASP A 122 -2.398 6.095 28.821 1.00 0.00 C ATOM 1850 O ASP A 122 -3.344 6.099 28.036 1.00 0.00 O ATOM 1851 CB ASP A 122 -2.723 4.458 30.570 1.00 0.00 C ATOM 1852 CG ASP A 122 -4.128 3.921 30.335 1.00 0.00 C ATOM 1853 OD1 ASP A 122 -4.292 2.737 29.937 1.00 0.00 O ATOM 1854 OD2 ASP A 122 -5.095 4.685 30.595 1.00 0.00 O ATOM 0 H ASP A 122 -0.269 4.389 30.410 1.00 0.00 H new ATOM 0 HA ASP A 122 -2.202 4.011 28.480 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -2.158 3.739 31.164 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -2.782 5.377 31.153 1.00 0.00 H new ATOM 1859 N GLU A 123 -1.772 7.187 29.296 1.00 0.00 N ATOM 1860 CA GLU A 123 -1.911 8.507 28.766 1.00 0.00 C ATOM 1861 C GLU A 123 -1.629 8.687 27.314 1.00 0.00 C ATOM 1862 O GLU A 123 -2.456 9.166 26.539 1.00 0.00 O ATOM 1863 CB GLU A 123 -1.140 9.535 29.611 1.00 0.00 C ATOM 1864 CG GLU A 123 -1.415 11.012 29.322 1.00 0.00 C ATOM 1865 CD GLU A 123 -0.666 11.852 30.346 1.00 0.00 C ATOM 1866 OE1 GLU A 123 -1.221 11.980 31.470 1.00 0.00 O ATOM 1867 OE2 GLU A 123 0.471 12.278 30.008 1.00 0.00 O ATOM 0 H GLU A 123 -1.135 7.146 30.092 1.00 0.00 H new ATOM 0 HA GLU A 123 -2.983 8.690 28.840 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -1.363 9.347 30.661 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -0.074 9.355 29.475 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -1.091 11.267 28.313 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -2.485 11.216 29.375 1.00 0.00 H new ATOM 1874 N MET A 124 -0.504 8.166 26.793 1.00 0.00 N ATOM 1875 CA MET A 124 -0.331 8.139 25.374 1.00 0.00 C ATOM 1876 C MET A 124 -1.402 7.434 24.614 1.00 0.00 C ATOM 1877 O MET A 124 -1.875 7.816 23.545 1.00 0.00 O ATOM 1878 CB MET A 124 1.061 7.555 25.082 1.00 0.00 C ATOM 1879 CG MET A 124 2.163 8.300 25.838 1.00 0.00 C ATOM 1880 SD MET A 124 3.801 7.584 25.506 1.00 0.00 S ATOM 1881 CE MET A 124 4.648 9.188 25.603 1.00 0.00 C ATOM 0 H MET A 124 0.266 7.774 27.335 1.00 0.00 H new ATOM 0 HA MET A 124 -0.412 9.165 25.014 1.00 0.00 H new ATOM 0 HB2 MET A 124 1.078 6.501 25.361 1.00 0.00 H new ATOM 0 HB3 MET A 124 1.258 7.605 24.011 1.00 0.00 H new ATOM 0 HG2 MET A 124 2.158 9.351 25.548 1.00 0.00 H new ATOM 0 HG3 MET A 124 1.959 8.264 26.908 1.00 0.00 H new ATOM 0 HE1 MET A 124 5.720 9.042 25.466 1.00 0.00 H new ATOM 0 HE2 MET A 124 4.269 9.847 24.822 1.00 0.00 H new ATOM 0 HE3 MET A 124 4.465 9.638 26.579 1.00 0.00 H new ATOM 1891 N ILE A 125 -1.943 6.320 25.138 1.00 0.00 N ATOM 1892 CA ILE A 125 -2.904 5.458 24.523 1.00 0.00 C ATOM 1893 C ILE A 125 -4.238 6.119 24.573 1.00 0.00 C ATOM 1894 O ILE A 125 -4.962 6.032 23.582 1.00 0.00 O ATOM 1895 CB ILE A 125 -2.944 4.137 25.233 1.00 0.00 C ATOM 1896 CG1 ILE A 125 -1.643 3.329 25.092 1.00 0.00 C ATOM 1897 CG2 ILE A 125 -4.202 3.295 24.963 1.00 0.00 C ATOM 1898 CD1 ILE A 125 -1.409 2.601 23.769 1.00 0.00 C ATOM 0 H ILE A 125 -1.685 5.997 26.070 1.00 0.00 H new ATOM 0 HA ILE A 125 -2.627 5.274 23.485 1.00 0.00 H new ATOM 0 HB ILE A 125 -3.021 4.410 26.285 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -0.806 4.007 25.256 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -1.617 2.590 25.893 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -4.140 2.359 25.519 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -5.085 3.848 25.282 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -4.274 3.080 23.897 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -0.456 2.073 23.808 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -2.214 1.885 23.600 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -1.390 3.325 22.954 1.00 0.00 H new ATOM 1910 N ARG A 126 -4.561 6.800 25.687 1.00 0.00 N ATOM 1911 CA ARG A 126 -5.753 7.553 25.926 1.00 0.00 C ATOM 1912 C ARG A 126 -5.948 8.753 25.064 1.00 0.00 C ATOM 1913 O ARG A 126 -7.098 9.016 24.713 1.00 0.00 O ATOM 1914 CB ARG A 126 -5.811 8.006 27.394 1.00 0.00 C ATOM 1915 CG ARG A 126 -6.992 8.829 27.911 1.00 0.00 C ATOM 1916 CD ARG A 126 -6.871 9.266 29.372 1.00 0.00 C ATOM 1917 NE ARG A 126 -8.252 9.729 29.686 1.00 0.00 N ATOM 1918 CZ ARG A 126 -8.716 9.732 30.970 1.00 0.00 C ATOM 1919 NH1 ARG A 126 -7.870 9.629 32.036 1.00 0.00 N ATOM 1920 NH2 ARG A 126 -10.053 9.940 31.152 1.00 0.00 N ATOM 0 H ARG A 126 -3.932 6.825 26.489 1.00 0.00 H new ATOM 0 HA ARG A 126 -6.556 6.861 25.673 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -5.752 7.108 28.009 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -4.908 8.585 27.587 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -7.100 9.716 27.288 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -7.904 8.244 27.794 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -6.562 8.444 30.017 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -6.138 10.062 29.498 1.00 0.00 H new ATOM 0 HE ARG A 126 -8.859 10.048 28.931 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -6.865 9.547 31.883 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -8.243 9.634 32.985 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -10.661 10.085 30.346 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -10.444 9.950 32.094 1.00 0.00 H new ATOM 1934 N GLU A 127 -4.838 9.375 24.628 1.00 0.00 N ATOM 1935 CA GLU A 127 -4.917 10.596 23.889 1.00 0.00 C ATOM 1936 C GLU A 127 -5.024 10.282 22.436 1.00 0.00 C ATOM 1937 O GLU A 127 -5.724 11.040 21.766 1.00 0.00 O ATOM 1938 CB GLU A 127 -3.805 11.581 24.287 1.00 0.00 C ATOM 1939 CG GLU A 127 -4.235 12.511 25.423 1.00 0.00 C ATOM 1940 CD GLU A 127 -5.177 13.579 24.885 1.00 0.00 C ATOM 1941 OE1 GLU A 127 -4.908 14.389 23.958 1.00 0.00 O ATOM 1942 OE2 GLU A 127 -6.263 13.604 25.523 1.00 0.00 O ATOM 0 H GLU A 127 -3.890 9.034 24.786 1.00 0.00 H new ATOM 0 HA GLU A 127 -5.825 11.142 24.145 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -2.920 11.023 24.592 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -3.522 12.177 23.419 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -4.730 11.938 26.207 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -3.360 12.979 25.874 1.00 0.00 H new ATOM 1949 N ALA A 128 -4.346 9.190 22.039 1.00 0.00 N ATOM 1950 CA ALA A 128 -4.619 8.605 20.763 1.00 0.00 C ATOM 1951 C ALA A 128 -5.981 8.015 20.630 1.00 0.00 C ATOM 1952 O ALA A 128 -6.592 8.189 19.576 1.00 0.00 O ATOM 1953 CB ALA A 128 -3.566 7.485 20.714 1.00 0.00 C ATOM 0 H ALA A 128 -3.625 8.721 22.587 1.00 0.00 H new ATOM 0 HA ALA A 128 -4.579 9.346 19.964 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -3.657 6.941 19.774 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -2.569 7.920 20.786 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -3.724 6.800 21.547 1.00 0.00 H new ATOM 1959 N ASP A 129 -6.527 7.251 21.592 1.00 0.00 N ATOM 1960 CA ASP A 129 -7.844 6.694 21.563 1.00 0.00 C ATOM 1961 C ASP A 129 -8.926 7.710 21.432 1.00 0.00 C ATOM 1962 O ASP A 129 -9.366 8.175 22.482 1.00 0.00 O ATOM 1963 CB ASP A 129 -8.248 5.693 22.658 1.00 0.00 C ATOM 1964 CG ASP A 129 -9.660 5.125 22.627 1.00 0.00 C ATOM 1965 OD1 ASP A 129 -10.121 4.609 21.574 1.00 0.00 O ATOM 1966 OD2 ASP A 129 -10.240 5.026 23.741 1.00 0.00 O ATOM 0 H ASP A 129 -6.018 7.007 22.442 1.00 0.00 H new ATOM 0 HA ASP A 129 -7.748 6.101 20.654 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -7.551 4.856 22.617 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -8.106 6.180 23.623 1.00 0.00 H new ATOM 1971 N ILE A 130 -9.417 7.957 20.204 1.00 0.00 N ATOM 1972 CA ILE A 130 -10.613 8.707 19.977 1.00 0.00 C ATOM 1973 C ILE A 130 -11.849 8.007 20.426 1.00 0.00 C ATOM 1974 O ILE A 130 -12.504 8.395 21.392 1.00 0.00 O ATOM 1975 CB ILE A 130 -10.749 9.349 18.628 1.00 0.00 C ATOM 1976 CG1 ILE A 130 -10.510 8.412 17.432 1.00 0.00 C ATOM 1977 CG2 ILE A 130 -9.913 10.640 18.667 1.00 0.00 C ATOM 1978 CD1 ILE A 130 -10.346 9.102 16.079 1.00 0.00 C ATOM 0 H ILE A 130 -8.971 7.627 19.348 1.00 0.00 H new ATOM 0 HA ILE A 130 -10.486 9.563 20.640 1.00 0.00 H new ATOM 0 HB ILE A 130 -11.789 9.610 18.434 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -9.616 7.820 17.629 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -11.345 7.715 17.366 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -9.980 11.146 17.704 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -10.294 11.297 19.449 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.872 10.393 18.876 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -10.183 8.352 15.305 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -11.247 9.670 15.849 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -9.491 9.777 16.116 1.00 0.00 H new ATOM 1990 N ASP A 131 -12.185 6.868 19.793 1.00 0.00 N ATOM 1991 CA ASP A 131 -13.465 6.234 19.848 1.00 0.00 C ATOM 1992 C ASP A 131 -14.040 5.849 21.168 1.00 0.00 C ATOM 1993 O ASP A 131 -14.901 6.557 21.687 1.00 0.00 O ATOM 1994 CB ASP A 131 -13.598 5.091 18.828 1.00 0.00 C ATOM 1995 CG ASP A 131 -12.347 4.223 18.847 1.00 0.00 C ATOM 1996 OD1 ASP A 131 -12.218 3.314 19.710 1.00 0.00 O ATOM 1997 OD2 ASP A 131 -11.515 4.368 17.912 1.00 0.00 O ATOM 0 H ASP A 131 -11.522 6.360 19.208 1.00 0.00 H new ATOM 0 HA ASP A 131 -14.102 7.074 19.571 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -14.474 4.485 19.061 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -13.751 5.500 17.829 1.00 0.00 H new ATOM 2002 N GLY A 132 -13.452 4.827 21.815 1.00 0.00 N ATOM 2003 CA GLY A 132 -13.680 4.550 23.199 1.00 0.00 C ATOM 2004 C GLY A 132 -13.086 3.267 23.669 1.00 0.00 C ATOM 2005 O GLY A 132 -13.300 2.855 24.808 1.00 0.00 O ATOM 0 H GLY A 132 -12.804 4.179 21.367 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -13.271 5.367 23.794 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -14.754 4.529 23.382 1.00 0.00 H new ATOM 2009 N ASP A 133 -12.437 2.474 22.798 1.00 0.00 N ATOM 2010 CA ASP A 133 -12.066 1.190 23.308 1.00 0.00 C ATOM 2011 C ASP A 133 -10.899 1.119 24.232 1.00 0.00 C ATOM 2012 O ASP A 133 -10.742 0.262 25.100 1.00 0.00 O ATOM 2013 CB ASP A 133 -11.872 0.229 22.123 1.00 0.00 C ATOM 2014 CG ASP A 133 -10.858 0.550 21.035 1.00 0.00 C ATOM 2015 OD1 ASP A 133 -10.228 1.641 21.025 1.00 0.00 O ATOM 2016 OD2 ASP A 133 -10.830 -0.216 20.035 1.00 0.00 O ATOM 0 H ASP A 133 -12.187 2.689 21.833 1.00 0.00 H new ATOM 0 HA ASP A 133 -12.895 0.903 23.955 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -11.606 -0.744 22.536 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -12.841 0.115 21.638 1.00 0.00 H new ATOM 2021 N GLY A 134 -9.943 2.041 24.018 1.00 0.00 N ATOM 2022 CA GLY A 134 -8.708 2.038 24.739 1.00 0.00 C ATOM 2023 C GLY A 134 -7.565 1.393 24.035 1.00 0.00 C ATOM 2024 O GLY A 134 -6.641 0.868 24.655 1.00 0.00 O ATOM 0 H GLY A 134 -10.028 2.796 23.338 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -8.437 3.069 24.969 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -8.862 1.529 25.690 1.00 0.00 H new ATOM 2028 N GLN A 135 -7.676 1.416 22.695 1.00 0.00 N ATOM 2029 CA GLN A 135 -6.707 0.826 21.824 1.00 0.00 C ATOM 2030 C GLN A 135 -6.452 1.839 20.762 1.00 0.00 C ATOM 2031 O GLN A 135 -7.227 2.774 20.565 1.00 0.00 O ATOM 2032 CB GLN A 135 -7.394 -0.281 21.006 1.00 0.00 C ATOM 2033 CG GLN A 135 -7.844 -1.374 21.978 1.00 0.00 C ATOM 2034 CD GLN A 135 -8.045 -2.748 21.354 1.00 0.00 C ATOM 2035 OE1 GLN A 135 -7.143 -3.551 21.585 1.00 0.00 O ATOM 2036 NE2 GLN A 135 -9.123 -3.020 20.570 1.00 0.00 N ATOM 0 H GLN A 135 -8.456 1.854 22.206 1.00 0.00 H new ATOM 0 HA GLN A 135 -5.845 0.489 22.399 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -8.249 0.121 20.462 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -6.707 -0.689 20.264 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -7.104 -1.458 22.774 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -8.779 -1.063 22.443 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -9.837 -2.307 20.419 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -9.217 -3.937 20.133 1.00 0.00 H new ATOM 2045 N VAL A 136 -5.359 1.692 19.993 1.00 0.00 N ATOM 2046 CA VAL A 136 -4.961 2.666 19.024 1.00 0.00 C ATOM 2047 C VAL A 136 -5.057 2.005 17.692 1.00 0.00 C ATOM 2048 O VAL A 136 -4.286 1.127 17.310 1.00 0.00 O ATOM 2049 CB VAL A 136 -3.562 3.186 19.177 1.00 0.00 C ATOM 2050 CG1 VAL A 136 -3.392 4.457 18.329 1.00 0.00 C ATOM 2051 CG2 VAL A 136 -3.177 3.507 20.631 1.00 0.00 C ATOM 0 H VAL A 136 -4.740 0.883 20.045 1.00 0.00 H new ATOM 0 HA VAL A 136 -5.615 3.529 19.151 1.00 0.00 H new ATOM 0 HB VAL A 136 -2.900 2.388 18.839 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -2.376 4.835 18.440 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -3.580 4.223 17.281 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -4.100 5.215 18.664 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -2.152 3.878 20.663 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -3.850 4.267 21.026 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -3.255 2.604 21.236 1.00 0.00 H new ATOM 2061 N ASN A 137 -6.067 2.436 16.914 1.00 0.00 N ATOM 2062 CA ASN A 137 -6.140 1.965 15.566 1.00 0.00 C ATOM 2063 C ASN A 137 -5.385 2.890 14.675 1.00 0.00 C ATOM 2064 O ASN A 137 -4.760 3.800 15.218 1.00 0.00 O ATOM 2065 CB ASN A 137 -7.593 1.748 15.109 1.00 0.00 C ATOM 2066 CG ASN A 137 -8.425 2.988 14.816 1.00 0.00 C ATOM 2067 OD1 ASN A 137 -7.906 3.946 14.244 1.00 0.00 O ATOM 2068 ND2 ASN A 137 -9.755 3.084 15.084 1.00 0.00 N ATOM 0 H ASN A 137 -6.803 3.082 17.201 1.00 0.00 H new ATOM 0 HA ASN A 137 -5.671 0.983 15.508 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -7.575 1.133 14.209 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -8.106 1.172 15.879 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -10.271 3.921 14.812 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -10.237 2.319 15.557 1.00 0.00 H new ATOM 2075 N TYR A 138 -5.464 2.725 13.343 1.00 0.00 N ATOM 2076 CA TYR A 138 -4.494 3.389 12.528 1.00 0.00 C ATOM 2077 C TYR A 138 -4.676 4.867 12.502 1.00 0.00 C ATOM 2078 O TYR A 138 -3.728 5.622 12.717 1.00 0.00 O ATOM 2079 CB TYR A 138 -4.508 2.697 11.155 1.00 0.00 C ATOM 2080 CG TYR A 138 -3.330 3.176 10.379 1.00 0.00 C ATOM 2081 CD1 TYR A 138 -2.031 3.018 10.801 1.00 0.00 C ATOM 2082 CD2 TYR A 138 -3.587 4.037 9.338 1.00 0.00 C ATOM 2083 CE1 TYR A 138 -0.995 3.619 10.126 1.00 0.00 C ATOM 2084 CE2 TYR A 138 -2.540 4.505 8.579 1.00 0.00 C ATOM 2085 CZ TYR A 138 -1.235 4.248 8.927 1.00 0.00 C ATOM 2086 OH TYR A 138 -0.177 4.662 8.090 1.00 0.00 O ATOM 0 H TYR A 138 -6.159 2.164 12.850 1.00 0.00 H new ATOM 0 HA TYR A 138 -3.493 3.292 12.949 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -4.469 1.614 11.275 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -5.432 2.926 10.624 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -1.822 2.415 11.672 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -4.600 4.342 9.119 1.00 0.00 H new ATOM 0 HE1 TYR A 138 0.004 3.597 10.536 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -2.747 5.086 7.692 1.00 0.00 H new ATOM 0 HH TYR A 138 -0.543 5.087 7.286 1.00 0.00 H new ATOM 2096 N GLU A 139 -5.942 5.301 12.371 1.00 0.00 N ATOM 2097 CA GLU A 139 -6.270 6.692 12.317 1.00 0.00 C ATOM 2098 C GLU A 139 -5.867 7.418 13.555 1.00 0.00 C ATOM 2099 O GLU A 139 -5.202 8.452 13.510 1.00 0.00 O ATOM 2100 CB GLU A 139 -7.691 7.053 11.854 1.00 0.00 C ATOM 2101 CG GLU A 139 -8.747 7.522 12.857 1.00 0.00 C ATOM 2102 CD GLU A 139 -10.042 7.774 12.098 1.00 0.00 C ATOM 2103 OE1 GLU A 139 -10.332 8.815 11.450 1.00 0.00 O ATOM 2104 OE2 GLU A 139 -10.901 6.852 12.129 1.00 0.00 O ATOM 0 H GLU A 139 -6.748 4.680 12.302 1.00 0.00 H new ATOM 0 HA GLU A 139 -5.654 7.056 11.494 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.593 7.836 11.102 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -8.096 6.176 11.350 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -8.899 6.768 13.630 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -8.417 8.431 13.359 1.00 0.00 H new ATOM 2111 N GLU A 140 -6.142 6.882 14.758 1.00 0.00 N ATOM 2112 CA GLU A 140 -5.770 7.379 16.046 1.00 0.00 C ATOM 2113 C GLU A 140 -4.302 7.466 16.288 1.00 0.00 C ATOM 2114 O GLU A 140 -3.847 8.488 16.799 1.00 0.00 O ATOM 2115 CB GLU A 140 -6.218 6.261 17.002 1.00 0.00 C ATOM 2116 CG GLU A 140 -7.701 5.933 16.816 1.00 0.00 C ATOM 2117 CD GLU A 140 -8.298 5.193 18.005 1.00 0.00 C ATOM 2118 OE1 GLU A 140 -7.981 3.979 18.121 1.00 0.00 O ATOM 2119 OE2 GLU A 140 -9.120 5.674 18.830 1.00 0.00 O ATOM 0 H GLU A 140 -6.677 6.017 14.833 1.00 0.00 H new ATOM 0 HA GLU A 140 -6.195 8.376 16.161 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -5.620 5.367 16.825 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -6.037 6.566 18.033 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -8.255 6.858 16.655 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -7.824 5.327 15.918 1.00 0.00 H new ATOM 2126 N PHE A 141 -3.450 6.552 15.790 1.00 0.00 N ATOM 2127 CA PHE A 141 -2.025 6.648 15.867 1.00 0.00 C ATOM 2128 C PHE A 141 -1.490 7.717 14.978 1.00 0.00 C ATOM 2129 O PHE A 141 -0.659 8.559 15.315 1.00 0.00 O ATOM 2130 CB PHE A 141 -1.419 5.284 15.497 1.00 0.00 C ATOM 2131 CG PHE A 141 0.067 5.293 15.601 1.00 0.00 C ATOM 2132 CD1 PHE A 141 0.701 5.345 16.820 1.00 0.00 C ATOM 2133 CD2 PHE A 141 0.830 5.265 14.457 1.00 0.00 C ATOM 2134 CE1 PHE A 141 2.075 5.356 16.864 1.00 0.00 C ATOM 2135 CE2 PHE A 141 2.203 5.329 14.514 1.00 0.00 C ATOM 2136 CZ PHE A 141 2.847 5.290 15.728 1.00 0.00 C ATOM 0 H PHE A 141 -3.769 5.709 15.313 1.00 0.00 H new ATOM 0 HA PHE A 141 -1.747 6.918 16.886 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -1.825 4.515 16.155 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -1.711 5.020 14.480 1.00 0.00 H new ATOM 0 HD1 PHE A 141 0.126 5.377 17.733 1.00 0.00 H new ATOM 0 HD2 PHE A 141 0.342 5.191 13.496 1.00 0.00 H new ATOM 0 HE1 PHE A 141 2.565 5.419 17.824 1.00 0.00 H new ATOM 0 HE2 PHE A 141 2.777 5.410 13.603 1.00 0.00 H new ATOM 0 HZ PHE A 141 3.922 5.210 15.787 1.00 0.00 H new ATOM 2146 N VAL A 142 -1.994 7.724 13.731 1.00 0.00 N ATOM 2147 CA VAL A 142 -1.597 8.720 12.785 1.00 0.00 C ATOM 2148 C VAL A 142 -1.899 10.127 13.171 1.00 0.00 C ATOM 2149 O VAL A 142 -1.082 11.027 12.982 1.00 0.00 O ATOM 2150 CB VAL A 142 -2.341 8.452 11.510 1.00 0.00 C ATOM 2151 CG1 VAL A 142 -2.006 9.580 10.520 1.00 0.00 C ATOM 2152 CG2 VAL A 142 -1.807 7.196 10.800 1.00 0.00 C ATOM 0 H VAL A 142 -2.671 7.046 13.380 1.00 0.00 H new ATOM 0 HA VAL A 142 -0.513 8.643 12.706 1.00 0.00 H new ATOM 0 HB VAL A 142 -3.397 8.357 11.764 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -2.535 9.410 9.582 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -2.313 10.537 10.941 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -0.932 9.594 10.334 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -2.368 7.032 9.880 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -0.752 7.333 10.562 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -1.921 6.332 11.454 1.00 0.00 H new ATOM 2162 N GLN A 143 -3.130 10.362 13.661 1.00 0.00 N ATOM 2163 CA GLN A 143 -3.552 11.668 14.060 1.00 0.00 C ATOM 2164 C GLN A 143 -2.843 12.197 15.259 1.00 0.00 C ATOM 2165 O GLN A 143 -2.609 13.401 15.351 1.00 0.00 O ATOM 2166 CB GLN A 143 -5.086 11.675 14.177 1.00 0.00 C ATOM 2167 CG GLN A 143 -5.683 12.964 14.743 1.00 0.00 C ATOM 2168 CD GLN A 143 -7.199 12.828 14.747 1.00 0.00 C ATOM 2169 OE1 GLN A 143 -7.954 13.445 13.997 1.00 0.00 O ATOM 2170 NE2 GLN A 143 -7.737 12.081 15.747 1.00 0.00 N ATOM 0 H GLN A 143 -3.839 9.639 13.781 1.00 0.00 H new ATOM 0 HA GLN A 143 -3.262 12.380 13.287 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -5.512 11.498 13.189 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -5.391 10.842 14.810 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -5.315 13.141 15.754 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -5.380 13.820 14.139 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -7.128 11.562 16.380 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -8.749 12.040 15.865 1.00 0.00 H new ATOM 2179 N MET A 144 -2.370 11.318 16.161 1.00 0.00 N ATOM 2180 CA MET A 144 -1.343 11.573 17.123 1.00 0.00 C ATOM 2181 C MET A 144 -0.070 12.047 16.509 1.00 0.00 C ATOM 2182 O MET A 144 0.345 13.157 16.835 1.00 0.00 O ATOM 2183 CB MET A 144 -1.119 10.486 18.188 1.00 0.00 C ATOM 2184 CG MET A 144 0.200 10.450 18.963 1.00 0.00 C ATOM 2185 SD MET A 144 0.289 9.353 20.410 1.00 0.00 S ATOM 2186 CE MET A 144 0.573 7.926 19.324 1.00 0.00 C ATOM 0 H MET A 144 -2.730 10.366 16.221 1.00 0.00 H new ATOM 0 HA MET A 144 -1.755 12.403 17.697 1.00 0.00 H new ATOM 0 HB2 MET A 144 -1.924 10.573 18.918 1.00 0.00 H new ATOM 0 HB3 MET A 144 -1.236 9.520 17.698 1.00 0.00 H new ATOM 0 HG2 MET A 144 0.990 10.159 18.271 1.00 0.00 H new ATOM 0 HG3 MET A 144 0.424 11.464 19.294 1.00 0.00 H new ATOM 0 HE1 MET A 144 -0.223 7.196 19.467 1.00 0.00 H new ATOM 0 HE2 MET A 144 0.581 8.255 18.285 1.00 0.00 H new ATOM 0 HE3 MET A 144 1.532 7.469 19.567 1.00 0.00 H new ATOM 2196 N MET A 145 0.564 11.241 15.639 1.00 0.00 N ATOM 2197 CA MET A 145 1.778 11.658 15.009 1.00 0.00 C ATOM 2198 C MET A 145 1.711 12.886 14.168 1.00 0.00 C ATOM 2199 O MET A 145 2.703 13.595 14.008 1.00 0.00 O ATOM 2200 CB MET A 145 2.489 10.556 14.205 1.00 0.00 C ATOM 2201 CG MET A 145 2.961 9.472 15.175 1.00 0.00 C ATOM 2202 SD MET A 145 4.296 8.458 14.473 1.00 0.00 S ATOM 2203 CE MET A 145 5.645 9.649 14.718 1.00 0.00 C ATOM 0 H MET A 145 0.241 10.311 15.374 1.00 0.00 H new ATOM 0 HA MET A 145 2.367 11.909 15.891 1.00 0.00 H new ATOM 0 HB2 MET A 145 1.812 10.132 13.464 1.00 0.00 H new ATOM 0 HB3 MET A 145 3.337 10.972 13.661 1.00 0.00 H new ATOM 0 HG2 MET A 145 3.307 9.938 16.097 1.00 0.00 H new ATOM 0 HG3 MET A 145 2.120 8.831 15.438 1.00 0.00 H new ATOM 0 HE1 MET A 145 6.232 9.727 13.803 1.00 0.00 H new ATOM 0 HE2 MET A 145 5.228 10.625 14.966 1.00 0.00 H new ATOM 0 HE3 MET A 145 6.285 9.311 15.533 1.00 0.00 H new