USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 645 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 53 LYS NZ :NH3+ -120:sc= -2.41! (180deg=-5.01!) USER MOD Set 1.2: A 54 TYR OH : rot 180:sc= 0.00276 USER MOD Single : A 13 LYS NZ :NH3+ -164:sc= -0.0152 (180deg=-0.19) USER MOD Single : A 18 GLN : amide:sc= -1.03 K(o=-1,f=-3.1!) USER MOD Single : A 30 CYS SG : rot -159:sc= -4.87! USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP no HD1:sc= -0.538 F(o=-1,f=-0.54) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -112:sc= 0.897 (180deg=-0.0171) USER MOD Single : A 51 SER OG : rot 180:sc=-0.00362 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot -29:sc= 0.0923 USER MOD Single : A 62 MET CE :methyl 173:sc= 0 (180deg=-0.0179) USER MOD Single : A 64 MET CE :methyl -116:sc= 0 (180deg=-1.36) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.056) USER MOD Single : A 78 TYR OH : rot 180:sc= -0.189 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot 42:sc= -2.81 USER MOD Single : A 85 SER OG : rot 180:sc= 0.044 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 60:sc= 0.0254 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 HIS :FLIP no HE2:sc= -1.22 F(o=-2.7!,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 4.604 20.023 -1.434 1.00 0.00 N ATOM 81 CA ALA A 9 4.864 18.594 -1.550 1.00 0.00 C ATOM 82 C ALA A 9 3.615 17.843 -2.001 1.00 0.00 C ATOM 83 O ALA A 9 3.498 16.635 -1.795 1.00 0.00 O ATOM 84 CB ALA A 9 5.366 18.039 -0.225 1.00 0.00 C ATOM 0 HA ALA A 9 5.635 18.451 -2.307 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.556 16.971 -0.327 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.289 18.547 0.056 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.613 18.202 0.546 1.00 0.00 H new ATOM 90 N ALA A 10 2.685 18.566 -2.615 1.00 0.00 N ATOM 91 CA ALA A 10 1.446 17.968 -3.096 1.00 0.00 C ATOM 92 C ALA A 10 1.722 16.690 -3.881 1.00 0.00 C ATOM 93 O ALA A 10 2.855 16.433 -4.289 1.00 0.00 O ATOM 94 CB ALA A 10 0.678 18.962 -3.954 1.00 0.00 C ATOM 0 H ALA A 10 2.766 19.567 -2.791 1.00 0.00 H new ATOM 0 HA ALA A 10 0.837 17.707 -2.230 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.245 18.502 -4.306 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.440 19.846 -3.362 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.288 19.252 -4.809 1.00 0.00 H new ATOM 100 N ILE A 11 0.680 15.893 -4.090 1.00 0.00 N ATOM 101 CA ILE A 11 0.811 14.642 -4.827 1.00 0.00 C ATOM 102 C ILE A 11 0.405 14.819 -6.286 1.00 0.00 C ATOM 103 O ILE A 11 -0.660 15.360 -6.584 1.00 0.00 O ATOM 104 CB ILE A 11 -0.046 13.527 -4.200 1.00 0.00 C ATOM 105 CG1 ILE A 11 0.305 13.354 -2.721 1.00 0.00 C ATOM 106 CG2 ILE A 11 0.152 12.220 -4.953 1.00 0.00 C ATOM 107 CD1 ILE A 11 -0.743 12.598 -1.935 1.00 0.00 C ATOM 0 H ILE A 11 -0.264 16.091 -3.759 1.00 0.00 H new ATOM 0 HA ILE A 11 1.861 14.354 -4.776 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.096 13.811 -4.274 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.257 12.828 -2.641 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.445 14.337 -2.272 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.460 11.442 -4.498 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.143 12.352 -5.994 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.201 11.929 -4.907 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.427 12.513 -0.895 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.691 13.134 -1.984 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.867 11.601 -2.359 1.00 0.00 H new ATOM 119 N ILE A 12 1.261 14.358 -7.192 1.00 0.00 N ATOM 120 CA ILE A 12 0.991 14.463 -8.621 1.00 0.00 C ATOM 121 C ILE A 12 0.553 13.121 -9.198 1.00 0.00 C ATOM 122 O ILE A 12 -0.296 13.062 -10.087 1.00 0.00 O ATOM 123 CB ILE A 12 2.227 14.963 -9.392 1.00 0.00 C ATOM 124 CG1 ILE A 12 3.509 14.479 -8.713 1.00 0.00 C ATOM 125 CG2 ILE A 12 2.213 16.481 -9.490 1.00 0.00 C ATOM 126 CD1 ILE A 12 4.000 15.403 -7.621 1.00 0.00 C ATOM 0 H ILE A 12 2.147 13.908 -6.962 1.00 0.00 H new ATOM 0 HA ILE A 12 0.184 15.186 -8.738 1.00 0.00 H new ATOM 0 HB ILE A 12 2.197 14.554 -10.402 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.335 13.490 -8.290 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.290 14.371 -9.465 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.093 16.818 -10.038 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.314 16.803 -10.014 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.222 16.910 -8.488 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.912 14.997 -7.184 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.206 16.387 -8.042 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.236 15.492 -6.849 1.00 0.00 H new ATOM 138 N LYS A 13 1.138 12.044 -8.684 1.00 0.00 N ATOM 139 CA LYS A 13 0.807 10.701 -9.144 1.00 0.00 C ATOM 140 C LYS A 13 0.036 9.933 -8.075 1.00 0.00 C ATOM 141 O LYS A 13 0.614 9.357 -7.153 1.00 0.00 O ATOM 142 CB LYS A 13 2.081 9.939 -9.516 1.00 0.00 C ATOM 143 CG LYS A 13 2.825 10.537 -10.697 1.00 0.00 C ATOM 144 CD LYS A 13 3.990 9.660 -11.124 1.00 0.00 C ATOM 145 CE LYS A 13 4.592 10.135 -12.438 1.00 0.00 C ATOM 146 NZ LYS A 13 3.663 9.923 -13.582 1.00 0.00 N ATOM 0 H LYS A 13 1.844 12.076 -7.948 1.00 0.00 H new ATOM 0 HA LYS A 13 0.174 10.792 -10.027 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.746 9.916 -8.652 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.822 8.906 -9.746 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.138 10.664 -11.534 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.193 11.528 -10.432 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.756 9.667 -10.348 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.652 8.629 -11.229 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.839 11.194 -12.362 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.525 9.602 -12.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.190 9.999 -14.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.235 8.978 -13.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.914 10.644 -13.559 1.00 0.00 H new ATOM 160 N PRO A 14 -1.299 9.923 -8.199 1.00 0.00 N ATOM 161 CA PRO A 14 -2.177 9.227 -7.253 1.00 0.00 C ATOM 162 C PRO A 14 -2.057 7.711 -7.358 1.00 0.00 C ATOM 163 O PRO A 14 -1.551 7.185 -8.351 1.00 0.00 O ATOM 164 CB PRO A 14 -3.578 9.683 -7.669 1.00 0.00 C ATOM 165 CG PRO A 14 -3.447 10.045 -9.108 1.00 0.00 C ATOM 166 CD PRO A 14 -2.055 10.588 -9.274 1.00 0.00 C ATOM 0 HA PRO A 14 -1.927 9.460 -6.218 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.311 8.889 -7.526 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.910 10.535 -7.075 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.605 9.175 -9.745 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.192 10.788 -9.393 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.647 10.353 -10.257 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.032 11.673 -9.170 1.00 0.00 H new ATOM 174 N LEU A 15 -2.525 7.012 -6.330 1.00 0.00 N ATOM 175 CA LEU A 15 -2.471 5.555 -6.307 1.00 0.00 C ATOM 176 C LEU A 15 -3.456 4.957 -7.307 1.00 0.00 C ATOM 177 O LEU A 15 -4.258 5.673 -7.906 1.00 0.00 O ATOM 178 CB LEU A 15 -2.777 5.036 -4.901 1.00 0.00 C ATOM 179 CG LEU A 15 -2.009 5.701 -3.758 1.00 0.00 C ATOM 180 CD1 LEU A 15 -2.833 5.684 -2.480 1.00 0.00 C ATOM 181 CD2 LEU A 15 -0.670 5.011 -3.542 1.00 0.00 C ATOM 0 H LEU A 15 -2.946 7.431 -5.501 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.464 5.249 -6.590 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.844 5.158 -4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.570 3.966 -4.877 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.819 6.740 -4.029 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.270 6.161 -1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.765 6.225 -2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.055 4.653 -2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.138 5.498 -2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.837 3.963 -3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.075 5.077 -4.453 1.00 0.00 H new ATOM 193 N GLU A 16 -3.390 3.641 -7.480 1.00 0.00 N ATOM 194 CA GLU A 16 -4.278 2.948 -8.407 1.00 0.00 C ATOM 195 C GLU A 16 -4.783 1.641 -7.801 1.00 0.00 C ATOM 196 O GLU A 16 -4.075 0.982 -7.040 1.00 0.00 O ATOM 197 CB GLU A 16 -3.555 2.665 -9.725 1.00 0.00 C ATOM 198 CG GLU A 16 -3.083 3.920 -10.441 1.00 0.00 C ATOM 199 CD GLU A 16 -2.778 3.675 -11.906 1.00 0.00 C ATOM 200 OE1 GLU A 16 -3.681 3.211 -12.632 1.00 0.00 O ATOM 201 OE2 GLU A 16 -1.634 3.948 -12.327 1.00 0.00 O ATOM 0 H GLU A 16 -2.732 3.034 -6.991 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.134 3.594 -8.602 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.696 2.024 -9.528 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.222 2.110 -10.384 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.848 4.691 -10.357 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.190 4.302 -9.947 1.00 0.00 H new ATOM 208 N ASP A 17 -6.013 1.275 -8.144 1.00 0.00 N ATOM 209 CA ASP A 17 -6.615 0.047 -7.636 1.00 0.00 C ATOM 210 C ASP A 17 -5.708 -1.151 -7.898 1.00 0.00 C ATOM 211 O ASP A 17 -5.290 -1.388 -9.031 1.00 0.00 O ATOM 212 CB ASP A 17 -7.982 -0.181 -8.281 1.00 0.00 C ATOM 213 CG ASP A 17 -9.031 0.789 -7.774 1.00 0.00 C ATOM 214 OD1 ASP A 17 -8.781 2.011 -7.822 1.00 0.00 O ATOM 215 OD2 ASP A 17 -10.102 0.325 -7.328 1.00 0.00 O ATOM 0 H ASP A 17 -6.613 1.811 -8.771 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.744 0.153 -6.559 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.891 -0.081 -9.363 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.309 -1.202 -8.082 1.00 0.00 H new ATOM 220 N GLN A 18 -5.409 -1.903 -6.843 1.00 0.00 N ATOM 221 CA GLN A 18 -4.551 -3.075 -6.960 1.00 0.00 C ATOM 222 C GLN A 18 -5.381 -4.352 -7.045 1.00 0.00 C ATOM 223 O GLN A 18 -6.460 -4.441 -6.459 1.00 0.00 O ATOM 224 CB GLN A 18 -3.593 -3.154 -5.770 1.00 0.00 C ATOM 225 CG GLN A 18 -2.498 -2.100 -5.799 1.00 0.00 C ATOM 226 CD GLN A 18 -1.690 -2.134 -7.081 1.00 0.00 C ATOM 227 OE1 GLN A 18 -1.760 -3.095 -7.848 1.00 0.00 O ATOM 228 NE2 GLN A 18 -0.916 -1.082 -7.322 1.00 0.00 N ATOM 0 H GLN A 18 -5.748 -1.721 -5.899 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.971 -2.978 -7.878 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.164 -3.048 -4.847 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.134 -4.142 -5.749 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.946 -1.113 -5.682 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -1.832 -2.250 -4.950 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.888 -0.307 -6.659 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.350 -1.049 -8.170 1.00 0.00 H new ATOM 237 N TRP A 19 -4.872 -5.336 -7.777 1.00 0.00 N ATOM 238 CA TRP A 19 -5.568 -6.607 -7.938 1.00 0.00 C ATOM 239 C TRP A 19 -4.627 -7.779 -7.679 1.00 0.00 C ATOM 240 O TRP A 19 -3.899 -8.213 -8.573 1.00 0.00 O ATOM 241 CB TRP A 19 -6.160 -6.713 -9.344 1.00 0.00 C ATOM 242 CG TRP A 19 -7.496 -6.047 -9.478 1.00 0.00 C ATOM 243 CD1 TRP A 19 -8.703 -6.545 -9.080 1.00 0.00 C ATOM 244 CD2 TRP A 19 -7.758 -4.762 -10.051 1.00 0.00 C ATOM 245 NE1 TRP A 19 -9.701 -5.647 -9.371 1.00 0.00 N ATOM 246 CE2 TRP A 19 -9.148 -4.544 -9.967 1.00 0.00 C ATOM 247 CE3 TRP A 19 -6.956 -3.773 -10.625 1.00 0.00 C ATOM 248 CZ2 TRP A 19 -9.748 -3.379 -10.436 1.00 0.00 C ATOM 249 CZ3 TRP A 19 -7.553 -2.617 -11.091 1.00 0.00 C ATOM 250 CH2 TRP A 19 -8.938 -2.428 -10.994 1.00 0.00 C ATOM 0 H TRP A 19 -3.980 -5.278 -8.268 1.00 0.00 H new ATOM 0 HA TRP A 19 -6.376 -6.646 -7.208 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.467 -6.267 -10.057 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.258 -7.765 -9.611 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -8.852 -7.504 -8.606 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -10.693 -5.780 -9.175 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -5.888 -3.909 -10.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -10.815 -3.231 -10.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -6.942 -1.846 -11.537 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -9.375 -1.513 -11.367 1.00 0.00 H new ATOM 261 N VAL A 20 -4.646 -8.288 -6.451 1.00 0.00 N ATOM 262 CA VAL A 20 -3.795 -9.411 -6.076 1.00 0.00 C ATOM 263 C VAL A 20 -4.621 -10.560 -5.507 1.00 0.00 C ATOM 264 O VAL A 20 -5.850 -10.499 -5.477 1.00 0.00 O ATOM 265 CB VAL A 20 -2.737 -8.991 -5.039 1.00 0.00 C ATOM 266 CG1 VAL A 20 -1.909 -7.827 -5.561 1.00 0.00 C ATOM 267 CG2 VAL A 20 -3.400 -8.633 -3.717 1.00 0.00 C ATOM 0 H VAL A 20 -5.241 -7.940 -5.699 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.291 -9.744 -6.983 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.067 -9.834 -4.868 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.167 -7.545 -4.814 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.404 -8.123 -6.480 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.562 -6.978 -5.763 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.638 -8.339 -2.996 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.094 -7.806 -3.870 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.944 -9.498 -3.337 1.00 0.00 H new ATOM 277 N ALA A 21 -3.937 -11.606 -5.056 1.00 0.00 N ATOM 278 CA ALA A 21 -4.607 -12.768 -4.486 1.00 0.00 C ATOM 279 C ALA A 21 -4.416 -12.824 -2.974 1.00 0.00 C ATOM 280 O ALA A 21 -3.556 -12.150 -2.407 1.00 0.00 O ATOM 281 CB ALA A 21 -4.091 -14.045 -5.133 1.00 0.00 C ATOM 0 H ALA A 21 -2.919 -11.673 -5.074 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.674 -12.677 -4.688 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.600 -14.905 -4.698 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.284 -14.013 -6.205 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.018 -14.133 -4.960 1.00 0.00 H new ATOM 287 N PRO A 22 -5.237 -13.646 -2.303 1.00 0.00 N ATOM 288 CA PRO A 22 -5.178 -13.810 -0.848 1.00 0.00 C ATOM 289 C PRO A 22 -3.918 -14.541 -0.397 1.00 0.00 C ATOM 290 O PRO A 22 -3.916 -15.763 -0.253 1.00 0.00 O ATOM 291 CB PRO A 22 -6.422 -14.644 -0.534 1.00 0.00 C ATOM 292 CG PRO A 22 -6.707 -15.388 -1.793 1.00 0.00 C ATOM 293 CD PRO A 22 -6.286 -14.480 -2.915 1.00 0.00 C ATOM 0 HA PRO A 22 -5.150 -12.851 -0.331 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.242 -15.326 0.297 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.262 -14.010 -0.250 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.156 -16.328 -1.824 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.766 -15.636 -1.868 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.905 -15.044 -3.767 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.118 -13.877 -3.278 1.00 0.00 H new ATOM 301 N GLY A 23 -2.847 -13.785 -0.176 1.00 0.00 N ATOM 302 CA GLY A 23 -1.595 -14.379 0.256 1.00 0.00 C ATOM 303 C GLY A 23 -0.389 -13.720 -0.383 1.00 0.00 C ATOM 304 O GLY A 23 0.747 -13.966 0.021 1.00 0.00 O ATOM 0 H GLY A 23 -2.824 -12.771 -0.288 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.515 -14.302 1.340 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.597 -15.441 0.011 1.00 0.00 H new ATOM 308 N GLU A 24 -0.636 -12.882 -1.385 1.00 0.00 N ATOM 309 CA GLU A 24 0.440 -12.189 -2.083 1.00 0.00 C ATOM 310 C GLU A 24 0.738 -10.845 -1.425 1.00 0.00 C ATOM 311 O GLU A 24 0.060 -10.441 -0.480 1.00 0.00 O ATOM 312 CB GLU A 24 0.072 -11.979 -3.554 1.00 0.00 C ATOM 313 CG GLU A 24 -0.695 -13.141 -4.161 1.00 0.00 C ATOM 314 CD GLU A 24 -0.666 -13.131 -5.677 1.00 0.00 C ATOM 315 OE1 GLU A 24 -1.543 -12.480 -6.283 1.00 0.00 O ATOM 316 OE2 GLU A 24 0.233 -13.774 -6.258 1.00 0.00 O ATOM 0 H GLU A 24 -1.571 -12.667 -1.731 1.00 0.00 H new ATOM 0 HA GLU A 24 1.335 -12.809 -2.025 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.527 -11.073 -3.644 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.984 -11.817 -4.128 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.273 -14.079 -3.799 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.730 -13.105 -3.821 1.00 0.00 H new ATOM 323 N ASP A 25 1.756 -10.158 -1.931 1.00 0.00 N ATOM 324 CA ASP A 25 2.144 -8.859 -1.394 1.00 0.00 C ATOM 325 C ASP A 25 1.618 -7.728 -2.272 1.00 0.00 C ATOM 326 O ASP A 25 1.485 -7.881 -3.487 1.00 0.00 O ATOM 327 CB ASP A 25 3.666 -8.765 -1.278 1.00 0.00 C ATOM 328 CG ASP A 25 4.366 -9.064 -2.589 1.00 0.00 C ATOM 329 OD1 ASP A 25 3.985 -10.050 -3.253 1.00 0.00 O ATOM 330 OD2 ASP A 25 5.296 -8.313 -2.951 1.00 0.00 O ATOM 0 H ASP A 25 2.328 -10.479 -2.712 1.00 0.00 H new ATOM 0 HA ASP A 25 1.705 -8.758 -0.402 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.941 -7.765 -0.943 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.013 -9.463 -0.517 1.00 0.00 H new ATOM 335 N VAL A 26 1.319 -6.592 -1.650 1.00 0.00 N ATOM 336 CA VAL A 26 0.807 -5.435 -2.375 1.00 0.00 C ATOM 337 C VAL A 26 1.739 -4.238 -2.228 1.00 0.00 C ATOM 338 O VAL A 26 2.393 -4.071 -1.199 1.00 0.00 O ATOM 339 CB VAL A 26 -0.598 -5.041 -1.882 1.00 0.00 C ATOM 340 CG1 VAL A 26 -0.979 -3.662 -2.401 1.00 0.00 C ATOM 341 CG2 VAL A 26 -1.623 -6.081 -2.308 1.00 0.00 C ATOM 0 H VAL A 26 1.423 -6.448 -0.646 1.00 0.00 H new ATOM 0 HA VAL A 26 0.749 -5.720 -3.426 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.584 -5.002 -0.793 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.975 -3.401 -2.043 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.259 -2.926 -2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.976 -3.670 -3.491 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.610 -5.787 -1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.637 -6.154 -3.395 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.357 -7.049 -1.883 1.00 0.00 H new ATOM 351 N GLU A 27 1.795 -3.407 -3.264 1.00 0.00 N ATOM 352 CA GLU A 27 2.648 -2.225 -3.250 1.00 0.00 C ATOM 353 C GLU A 27 1.924 -1.024 -3.850 1.00 0.00 C ATOM 354 O GLU A 27 1.429 -1.082 -4.977 1.00 0.00 O ATOM 355 CB GLU A 27 3.941 -2.493 -4.023 1.00 0.00 C ATOM 356 CG GLU A 27 4.823 -3.553 -3.386 1.00 0.00 C ATOM 357 CD GLU A 27 6.094 -3.805 -4.173 1.00 0.00 C ATOM 358 OE1 GLU A 27 5.993 -4.135 -5.373 1.00 0.00 O ATOM 359 OE2 GLU A 27 7.190 -3.674 -3.589 1.00 0.00 O ATOM 0 H GLU A 27 1.260 -3.531 -4.123 1.00 0.00 H new ATOM 0 HA GLU A 27 2.893 -1.998 -2.213 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.690 -2.803 -5.037 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.505 -1.564 -4.104 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.082 -3.244 -2.374 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.262 -4.484 -3.301 1.00 0.00 H new ATOM 366 N LEU A 28 1.864 0.064 -3.090 1.00 0.00 N ATOM 367 CA LEU A 28 1.200 1.280 -3.545 1.00 0.00 C ATOM 368 C LEU A 28 2.164 2.462 -3.541 1.00 0.00 C ATOM 369 O LEU A 28 2.290 3.170 -2.541 1.00 0.00 O ATOM 370 CB LEU A 28 -0.007 1.589 -2.657 1.00 0.00 C ATOM 371 CG LEU A 28 -1.081 0.503 -2.583 1.00 0.00 C ATOM 372 CD1 LEU A 28 -1.907 0.655 -1.315 1.00 0.00 C ATOM 373 CD2 LEU A 28 -1.975 0.553 -3.813 1.00 0.00 C ATOM 0 H LEU A 28 2.267 0.129 -2.155 1.00 0.00 H new ATOM 0 HA LEU A 28 0.859 1.117 -4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.351 1.787 -1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.471 2.507 -3.016 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.587 -0.468 -2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.666 -0.126 -1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.257 0.569 -0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.391 1.632 -1.311 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.733 -0.227 -3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.460 1.527 -3.871 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.373 0.394 -4.707 1.00 0.00 H new ATOM 385 N ARG A 29 2.842 2.670 -4.665 1.00 0.00 N ATOM 386 CA ARG A 29 3.794 3.767 -4.791 1.00 0.00 C ATOM 387 C ARG A 29 3.100 5.036 -5.276 1.00 0.00 C ATOM 388 O ARG A 29 2.088 4.974 -5.975 1.00 0.00 O ATOM 389 CB ARG A 29 4.918 3.386 -5.756 1.00 0.00 C ATOM 390 CG ARG A 29 5.588 2.064 -5.420 1.00 0.00 C ATOM 391 CD ARG A 29 6.781 1.798 -6.324 1.00 0.00 C ATOM 392 NE ARG A 29 6.379 1.228 -7.608 1.00 0.00 N ATOM 393 CZ ARG A 29 5.988 1.959 -8.646 1.00 0.00 C ATOM 394 NH1 ARG A 29 5.948 3.281 -8.552 1.00 0.00 N ATOM 395 NH2 ARG A 29 5.637 1.368 -9.780 1.00 0.00 N ATOM 0 H ARG A 29 2.750 2.093 -5.501 1.00 0.00 H new ATOM 0 HA ARG A 29 4.220 3.961 -3.807 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.514 3.332 -6.767 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.670 4.175 -5.754 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.914 2.074 -4.380 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.866 1.253 -5.520 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.322 2.729 -6.494 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.469 1.116 -5.824 1.00 0.00 H new ATOM 0 HE ARG A 29 6.400 0.214 -7.713 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.218 3.739 -7.681 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.647 3.840 -9.350 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.667 0.351 -9.856 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.337 1.930 -10.576 1.00 0.00 H new ATOM 409 N CYS A 30 3.651 6.185 -4.901 1.00 0.00 N ATOM 410 CA CYS A 30 3.084 7.470 -5.296 1.00 0.00 C ATOM 411 C CYS A 30 4.186 8.472 -5.624 1.00 0.00 C ATOM 412 O CYS A 30 5.369 8.133 -5.614 1.00 0.00 O ATOM 413 CB CYS A 30 2.191 8.022 -4.184 1.00 0.00 C ATOM 414 SG CYS A 30 3.094 8.850 -2.855 1.00 0.00 S ATOM 0 H CYS A 30 4.489 6.253 -4.324 1.00 0.00 H new ATOM 0 HA CYS A 30 2.481 7.313 -6.191 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.480 8.725 -4.619 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.610 7.203 -3.759 1.00 0.00 H new ATOM 0 HG CYS A 30 2.355 8.887 -1.786 1.00 0.00 H new ATOM 420 N GLU A 31 3.789 9.707 -5.917 1.00 0.00 N ATOM 421 CA GLU A 31 4.743 10.757 -6.250 1.00 0.00 C ATOM 422 C GLU A 31 4.402 12.054 -5.521 1.00 0.00 C ATOM 423 O GLU A 31 3.231 12.374 -5.316 1.00 0.00 O ATOM 424 CB GLU A 31 4.763 10.998 -7.761 1.00 0.00 C ATOM 425 CG GLU A 31 5.984 11.766 -8.239 1.00 0.00 C ATOM 426 CD GLU A 31 6.303 11.504 -9.698 1.00 0.00 C ATOM 427 OE1 GLU A 31 5.759 12.224 -10.562 1.00 0.00 O ATOM 428 OE2 GLU A 31 7.095 10.581 -9.976 1.00 0.00 O ATOM 0 H GLU A 31 2.813 10.004 -5.930 1.00 0.00 H new ATOM 0 HA GLU A 31 5.732 10.429 -5.928 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.725 10.037 -8.274 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.865 11.547 -8.045 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.817 12.833 -8.093 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.844 11.491 -7.628 1.00 0.00 H new ATOM 435 N LEU A 32 5.434 12.795 -5.132 1.00 0.00 N ATOM 436 CA LEU A 32 5.245 14.058 -4.426 1.00 0.00 C ATOM 437 C LEU A 32 6.091 15.163 -5.049 1.00 0.00 C ATOM 438 O LEU A 32 7.283 14.980 -5.298 1.00 0.00 O ATOM 439 CB LEU A 32 5.605 13.896 -2.948 1.00 0.00 C ATOM 440 CG LEU A 32 5.169 12.587 -2.290 1.00 0.00 C ATOM 441 CD1 LEU A 32 5.940 12.354 -1.000 1.00 0.00 C ATOM 442 CD2 LEU A 32 3.670 12.597 -2.024 1.00 0.00 C ATOM 0 H LEU A 32 6.409 12.544 -5.293 1.00 0.00 H new ATOM 0 HA LEU A 32 4.195 14.340 -4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.686 13.988 -2.846 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.161 14.723 -2.394 1.00 0.00 H new ATOM 0 HG LEU A 32 5.391 11.768 -2.974 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.616 11.417 -0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.007 12.301 -1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.751 13.176 -0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.377 11.657 -1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.424 13.426 -1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.134 12.715 -2.966 1.00 0.00 H new ATOM 454 N SER A 33 5.468 16.310 -5.298 1.00 0.00 N ATOM 455 CA SER A 33 6.163 17.445 -5.893 1.00 0.00 C ATOM 456 C SER A 33 7.446 17.758 -5.129 1.00 0.00 C ATOM 457 O SER A 33 8.410 18.271 -5.697 1.00 0.00 O ATOM 458 CB SER A 33 5.254 18.675 -5.912 1.00 0.00 C ATOM 459 OG SER A 33 6.013 19.869 -5.996 1.00 0.00 O ATOM 0 H SER A 33 4.482 16.478 -5.097 1.00 0.00 H new ATOM 0 HA SER A 33 6.426 17.181 -6.917 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.572 18.614 -6.760 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.642 18.692 -5.011 1.00 0.00 H new ATOM 0 HG SER A 33 5.409 20.641 -6.008 1.00 0.00 H new ATOM 465 N ARG A 34 7.449 17.445 -3.838 1.00 0.00 N ATOM 466 CA ARG A 34 8.612 17.693 -2.994 1.00 0.00 C ATOM 467 C ARG A 34 8.928 16.475 -2.131 1.00 0.00 C ATOM 468 O ARG A 34 8.024 15.781 -1.666 1.00 0.00 O ATOM 469 CB ARG A 34 8.372 18.914 -2.104 1.00 0.00 C ATOM 470 CG ARG A 34 9.513 19.200 -1.142 1.00 0.00 C ATOM 471 CD ARG A 34 9.339 18.448 0.168 1.00 0.00 C ATOM 472 NE ARG A 34 10.287 18.894 1.186 1.00 0.00 N ATOM 473 CZ ARG A 34 10.124 19.996 1.909 1.00 0.00 C ATOM 474 NH1 ARG A 34 9.056 20.760 1.727 1.00 0.00 N ATOM 475 NH2 ARG A 34 11.031 20.336 2.816 1.00 0.00 N ATOM 0 H ARG A 34 6.659 17.019 -3.353 1.00 0.00 H new ATOM 0 HA ARG A 34 9.466 17.887 -3.643 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.213 19.788 -2.736 1.00 0.00 H new ATOM 0 HB3 ARG A 34 7.456 18.762 -1.533 1.00 0.00 H new ATOM 0 HG2 ARG A 34 10.459 18.916 -1.603 1.00 0.00 H new ATOM 0 HG3 ARG A 34 9.564 20.271 -0.944 1.00 0.00 H new ATOM 0 HD2 ARG A 34 8.322 18.588 0.534 1.00 0.00 H new ATOM 0 HD3 ARG A 34 9.471 17.380 -0.007 1.00 0.00 H new ATOM 0 HE ARG A 34 11.120 18.328 1.350 1.00 0.00 H new ATOM 0 HH11 ARG A 34 8.357 20.502 1.030 1.00 0.00 H new ATOM 0 HH12 ARG A 34 8.933 21.606 2.284 1.00 0.00 H new ATOM 0 HH21 ARG A 34 11.854 19.751 2.958 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.905 21.183 3.371 1.00 0.00 H new ATOM 489 N ALA A 35 10.216 16.222 -1.922 1.00 0.00 N ATOM 490 CA ALA A 35 10.650 15.090 -1.114 1.00 0.00 C ATOM 491 C ALA A 35 10.941 15.518 0.321 1.00 0.00 C ATOM 492 O ALA A 35 11.724 16.437 0.558 1.00 0.00 O ATOM 493 CB ALA A 35 11.879 14.441 -1.732 1.00 0.00 C ATOM 0 H ALA A 35 10.977 16.786 -2.301 1.00 0.00 H new ATOM 0 HA ALA A 35 9.840 14.361 -1.091 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.192 13.597 -1.118 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.639 14.090 -2.736 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.687 15.170 -1.786 1.00 0.00 H new ATOM 534 N VAL A 39 3.703 10.899 4.370 1.00 0.00 N ATOM 535 CA VAL A 39 2.383 10.554 3.855 1.00 0.00 C ATOM 536 C VAL A 39 1.531 9.885 4.928 1.00 0.00 C ATOM 537 O VAL A 39 2.046 9.165 5.784 1.00 0.00 O ATOM 538 CB VAL A 39 2.483 9.617 2.636 1.00 0.00 C ATOM 539 CG1 VAL A 39 2.762 8.190 3.082 1.00 0.00 C ATOM 540 CG2 VAL A 39 1.211 9.686 1.806 1.00 0.00 C ATOM 0 HA VAL A 39 1.910 11.487 3.549 1.00 0.00 H new ATOM 0 HB VAL A 39 3.314 9.947 2.013 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.829 7.542 2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.703 8.158 3.631 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.954 7.846 3.727 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.299 9.018 0.949 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.361 9.382 2.417 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.060 10.707 1.456 1.00 0.00 H new ATOM 550 N HIS A 40 0.225 10.127 4.876 1.00 0.00 N ATOM 551 CA HIS A 40 -0.699 9.547 5.843 1.00 0.00 C ATOM 552 C HIS A 40 -1.520 8.429 5.207 1.00 0.00 C ATOM 553 O HIS A 40 -2.428 8.686 4.416 1.00 0.00 O ATOM 554 CB HIS A 40 -1.629 10.625 6.402 1.00 0.00 C ATOM 555 CG HIS A 40 -2.058 10.372 7.814 1.00 0.00 C ATOM 556 ND1 HIS A 40 -1.394 9.821 8.856 1.00 0.00 N flip ATOM 557 CD2 HIS A 40 -3.311 10.697 8.289 1.00 0.00 C flip ATOM 558 CE1 HIS A 40 -2.248 9.824 9.931 1.00 0.00 C flip ATOM 559 NE2 HIS A 40 -3.398 10.358 9.563 1.00 0.00 N flip ATOM 0 H HIS A 40 -0.217 10.721 4.174 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.114 9.124 6.660 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -1.125 11.590 6.352 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -2.514 10.694 5.769 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -4.098 11.157 7.710 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.017 9.450 10.917 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -4.215 10.487 10.160 1.00 0.00 H new ATOM 568 N TRP A 41 -1.195 7.191 5.558 1.00 0.00 N ATOM 569 CA TRP A 41 -1.902 6.034 5.020 1.00 0.00 C ATOM 570 C TRP A 41 -3.111 5.686 5.883 1.00 0.00 C ATOM 571 O TRP A 41 -2.966 5.179 6.996 1.00 0.00 O ATOM 572 CB TRP A 41 -0.961 4.831 4.930 1.00 0.00 C ATOM 573 CG TRP A 41 0.164 5.029 3.960 1.00 0.00 C ATOM 574 CD1 TRP A 41 1.411 5.511 4.239 1.00 0.00 C ATOM 575 CD2 TRP A 41 0.144 4.752 2.556 1.00 0.00 C ATOM 576 NE1 TRP A 41 2.167 5.550 3.093 1.00 0.00 N ATOM 577 CE2 TRP A 41 1.413 5.089 2.046 1.00 0.00 C ATOM 578 CE3 TRP A 41 -0.822 4.250 1.680 1.00 0.00 C ATOM 579 CZ2 TRP A 41 1.738 4.940 0.701 1.00 0.00 C ATOM 580 CZ3 TRP A 41 -0.498 4.104 0.344 1.00 0.00 C ATOM 581 CH2 TRP A 41 0.773 4.447 -0.135 1.00 0.00 C ATOM 0 H TRP A 41 -0.447 6.962 6.212 1.00 0.00 H new ATOM 0 HA TRP A 41 -2.253 6.287 4.020 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.548 4.627 5.918 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -1.534 3.952 4.636 1.00 0.00 H new ATOM 0 HD1 TRP A 41 1.752 5.817 5.217 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.133 5.870 3.031 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -1.804 3.981 2.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 2.717 5.204 0.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.238 3.719 -0.342 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.996 4.320 -1.184 1.00 0.00 H new ATOM 592 N LEU A 42 -4.302 5.960 5.362 1.00 0.00 N ATOM 593 CA LEU A 42 -5.536 5.675 6.085 1.00 0.00 C ATOM 594 C LEU A 42 -6.299 4.528 5.430 1.00 0.00 C ATOM 595 O LEU A 42 -6.688 4.612 4.265 1.00 0.00 O ATOM 596 CB LEU A 42 -6.418 6.923 6.140 1.00 0.00 C ATOM 597 CG LEU A 42 -5.766 8.181 6.715 1.00 0.00 C ATOM 598 CD1 LEU A 42 -6.365 9.429 6.085 1.00 0.00 C ATOM 599 CD2 LEU A 42 -5.922 8.218 8.229 1.00 0.00 C ATOM 0 H LEU A 42 -4.439 6.379 4.442 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.272 5.379 7.100 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.762 7.145 5.130 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.302 6.693 6.734 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.702 8.155 6.480 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.889 10.314 6.507 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.201 9.407 5.008 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.435 9.461 6.289 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.452 9.120 8.621 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.981 8.220 8.486 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.444 7.341 8.666 1.00 0.00 H new ATOM 611 N LYS A 43 -6.511 3.457 6.187 1.00 0.00 N ATOM 612 CA LYS A 43 -7.230 2.293 5.682 1.00 0.00 C ATOM 613 C LYS A 43 -8.615 2.192 6.315 1.00 0.00 C ATOM 614 O LYS A 43 -8.755 1.758 7.458 1.00 0.00 O ATOM 615 CB LYS A 43 -6.436 1.016 5.963 1.00 0.00 C ATOM 616 CG LYS A 43 -7.236 -0.258 5.750 1.00 0.00 C ATOM 617 CD LYS A 43 -6.332 -1.441 5.450 1.00 0.00 C ATOM 618 CE LYS A 43 -7.135 -2.714 5.226 1.00 0.00 C ATOM 619 NZ LYS A 43 -7.623 -3.294 6.507 1.00 0.00 N ATOM 0 H LYS A 43 -6.195 3.371 7.153 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.349 2.410 4.605 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.557 0.995 5.318 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.076 1.041 6.992 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.829 -0.469 6.640 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.936 -0.116 4.926 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.733 -1.227 4.565 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.638 -1.588 6.277 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.985 -2.498 4.578 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.517 -3.447 4.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.165 -4.160 6.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.811 -3.524 7.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.234 -2.604 6.990 1.00 0.00 H new ATOM 633 N ASP A 44 -9.634 2.595 5.564 1.00 0.00 N ATOM 634 CA ASP A 44 -11.008 2.548 6.051 1.00 0.00 C ATOM 635 C ASP A 44 -11.200 3.500 7.227 1.00 0.00 C ATOM 636 O ASP A 44 -11.699 3.106 8.282 1.00 0.00 O ATOM 637 CB ASP A 44 -11.375 1.123 6.466 1.00 0.00 C ATOM 638 CG ASP A 44 -11.196 0.126 5.338 1.00 0.00 C ATOM 639 OD1 ASP A 44 -10.265 0.311 4.526 1.00 0.00 O ATOM 640 OD2 ASP A 44 -11.986 -0.838 5.266 1.00 0.00 O ATOM 0 H ASP A 44 -9.535 2.958 4.616 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.666 2.863 5.241 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.757 0.824 7.313 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -12.411 1.102 6.804 1.00 0.00 H new ATOM 645 N ARG A 45 -10.801 4.753 7.040 1.00 0.00 N ATOM 646 CA ARG A 45 -10.927 5.760 8.086 1.00 0.00 C ATOM 647 C ARG A 45 -10.194 5.325 9.352 1.00 0.00 C ATOM 648 O ARG A 45 -10.725 5.432 10.458 1.00 0.00 O ATOM 649 CB ARG A 45 -12.402 6.017 8.401 1.00 0.00 C ATOM 650 CG ARG A 45 -13.211 6.474 7.198 1.00 0.00 C ATOM 651 CD ARG A 45 -13.150 7.984 7.027 1.00 0.00 C ATOM 652 NE ARG A 45 -12.034 8.394 6.179 1.00 0.00 N ATOM 653 CZ ARG A 45 -11.824 9.649 5.797 1.00 0.00 C ATOM 654 NH1 ARG A 45 -12.649 10.611 6.186 1.00 0.00 N ATOM 655 NH2 ARG A 45 -10.786 9.944 5.025 1.00 0.00 N ATOM 0 H ARG A 45 -10.387 5.096 6.173 1.00 0.00 H new ATOM 0 HA ARG A 45 -10.473 6.682 7.723 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -12.844 5.104 8.800 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -12.471 6.773 9.183 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.832 5.989 6.298 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.249 6.162 7.316 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -14.085 8.338 6.592 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -13.055 8.456 8.005 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.380 7.678 5.863 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -13.448 10.389 6.780 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.485 11.574 5.891 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.148 9.207 4.724 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.626 10.908 4.732 1.00 0.00 H new ATOM 669 N LYS A 46 -8.973 4.832 9.181 1.00 0.00 N ATOM 670 CA LYS A 46 -8.165 4.380 10.308 1.00 0.00 C ATOM 671 C LYS A 46 -6.679 4.570 10.023 1.00 0.00 C ATOM 672 O LYS A 46 -6.152 4.039 9.046 1.00 0.00 O ATOM 673 CB LYS A 46 -8.453 2.908 10.611 1.00 0.00 C ATOM 674 CG LYS A 46 -9.810 2.673 11.252 1.00 0.00 C ATOM 675 CD LYS A 46 -9.935 3.405 12.577 1.00 0.00 C ATOM 676 CE LYS A 46 -11.127 2.907 13.380 1.00 0.00 C ATOM 677 NZ LYS A 46 -10.975 3.192 14.834 1.00 0.00 N ATOM 0 H LYS A 46 -8.520 4.735 8.272 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.430 4.982 11.177 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.394 2.337 9.684 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.677 2.523 11.272 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.596 3.008 10.575 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.959 1.605 11.410 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.022 3.268 13.157 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.040 4.474 12.394 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -12.037 3.380 13.010 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.243 1.833 13.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.808 2.837 15.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.121 2.720 15.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.890 4.218 14.980 1.00 0.00 H new ATOM 691 N ALA A 47 -6.008 5.328 10.884 1.00 0.00 N ATOM 692 CA ALA A 47 -4.582 5.584 10.727 1.00 0.00 C ATOM 693 C ALA A 47 -3.777 4.293 10.832 1.00 0.00 C ATOM 694 O ALA A 47 -3.895 3.555 11.810 1.00 0.00 O ATOM 695 CB ALA A 47 -4.108 6.589 11.766 1.00 0.00 C ATOM 0 H ALA A 47 -6.430 5.776 11.698 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.421 6.002 9.733 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.041 6.770 11.637 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.653 7.525 11.642 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.290 6.193 12.765 1.00 0.00 H new ATOM 701 N ILE A 48 -2.961 4.026 9.818 1.00 0.00 N ATOM 702 CA ILE A 48 -2.137 2.824 9.798 1.00 0.00 C ATOM 703 C ILE A 48 -0.794 3.066 10.478 1.00 0.00 C ATOM 704 O ILE A 48 -0.259 4.175 10.442 1.00 0.00 O ATOM 705 CB ILE A 48 -1.889 2.335 8.358 1.00 0.00 C ATOM 706 CG1 ILE A 48 -3.209 2.261 7.588 1.00 0.00 C ATOM 707 CG2 ILE A 48 -1.200 0.979 8.370 1.00 0.00 C ATOM 708 CD1 ILE A 48 -3.036 1.925 6.123 1.00 0.00 C ATOM 0 H ILE A 48 -2.853 4.626 9.000 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.686 2.057 10.345 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.235 3.048 7.855 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.849 1.510 8.051 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.725 3.217 7.675 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.032 0.647 7.345 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.244 1.061 8.886 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.830 0.255 8.887 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.013 1.889 5.640 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.422 2.688 5.645 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.548 0.955 6.027 1.00 0.00 H new ATOM 720 N ARG A 49 -0.252 2.021 11.096 1.00 0.00 N ATOM 721 CA ARG A 49 1.029 2.120 11.784 1.00 0.00 C ATOM 722 C ARG A 49 2.099 1.307 11.061 1.00 0.00 C ATOM 723 O ARG A 49 1.872 0.157 10.686 1.00 0.00 O ATOM 724 CB ARG A 49 0.895 1.636 13.229 1.00 0.00 C ATOM 725 CG ARG A 49 0.363 2.696 14.180 1.00 0.00 C ATOM 726 CD ARG A 49 0.266 2.169 15.603 1.00 0.00 C ATOM 727 NE ARG A 49 -0.441 3.096 16.482 1.00 0.00 N ATOM 728 CZ ARG A 49 -1.765 3.192 16.537 1.00 0.00 C ATOM 729 NH1 ARG A 49 -2.521 2.422 15.768 1.00 0.00 N ATOM 730 NH2 ARG A 49 -2.334 4.060 17.364 1.00 0.00 N ATOM 0 H ARG A 49 -0.681 1.096 11.134 1.00 0.00 H new ATOM 0 HA ARG A 49 1.332 3.167 11.785 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.231 0.772 13.254 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.870 1.299 13.582 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.017 3.568 14.157 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.620 3.026 13.845 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.249 1.208 15.600 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.268 1.992 15.993 1.00 0.00 H new ATOM 0 HE ARG A 49 0.112 3.703 17.087 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.087 1.753 15.132 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.537 2.498 15.812 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.755 4.654 17.958 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.350 4.133 17.406 1.00 0.00 H new ATOM 744 N LYS A 50 3.265 1.913 10.868 1.00 0.00 N ATOM 745 CA LYS A 50 4.371 1.247 10.190 1.00 0.00 C ATOM 746 C LYS A 50 4.864 0.052 11.000 1.00 0.00 C ATOM 747 O LYS A 50 5.445 0.214 12.073 1.00 0.00 O ATOM 748 CB LYS A 50 5.522 2.230 9.959 1.00 0.00 C ATOM 749 CG LYS A 50 6.737 1.600 9.301 1.00 0.00 C ATOM 750 CD LYS A 50 8.020 2.302 9.712 1.00 0.00 C ATOM 751 CE LYS A 50 8.342 3.463 8.783 1.00 0.00 C ATOM 752 NZ LYS A 50 9.149 3.027 7.610 1.00 0.00 N ATOM 0 H LYS A 50 3.469 2.865 11.172 1.00 0.00 H new ATOM 0 HA LYS A 50 4.010 0.887 9.226 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.167 3.052 9.337 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.819 2.660 10.916 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.794 0.546 9.574 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.629 1.643 8.217 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.924 2.668 10.734 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.845 1.589 9.705 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.415 3.919 8.437 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.887 4.229 9.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.105 3.431 7.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.212 1.989 7.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.694 3.356 6.734 1.00 0.00 H new ATOM 766 N SER A 51 4.630 -1.148 10.478 1.00 0.00 N ATOM 767 CA SER A 51 5.049 -2.371 11.154 1.00 0.00 C ATOM 768 C SER A 51 5.252 -3.503 10.152 1.00 0.00 C ATOM 769 O SER A 51 4.884 -3.385 8.983 1.00 0.00 O ATOM 770 CB SER A 51 4.011 -2.781 12.200 1.00 0.00 C ATOM 771 OG SER A 51 4.547 -3.728 13.107 1.00 0.00 O ATOM 0 H SER A 51 4.153 -1.300 9.589 1.00 0.00 H new ATOM 0 HA SER A 51 5.999 -2.175 11.652 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.673 -1.900 12.746 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.137 -3.203 11.704 1.00 0.00 H new ATOM 0 HG SER A 51 3.864 -3.972 13.766 1.00 0.00 H new ATOM 777 N GLN A 52 5.841 -4.599 10.619 1.00 0.00 N ATOM 778 CA GLN A 52 6.095 -5.753 9.764 1.00 0.00 C ATOM 779 C GLN A 52 4.983 -5.922 8.734 1.00 0.00 C ATOM 780 O GLN A 52 5.234 -6.301 7.590 1.00 0.00 O ATOM 781 CB GLN A 52 6.222 -7.022 10.608 1.00 0.00 C ATOM 782 CG GLN A 52 4.997 -7.310 11.461 1.00 0.00 C ATOM 783 CD GLN A 52 5.194 -8.497 12.383 1.00 0.00 C ATOM 784 OE1 GLN A 52 5.930 -8.417 13.367 1.00 0.00 O ATOM 785 NE2 GLN A 52 4.535 -9.607 12.070 1.00 0.00 N ATOM 0 H GLN A 52 6.151 -4.712 11.584 1.00 0.00 H new ATOM 0 HA GLN A 52 7.033 -5.582 9.235 1.00 0.00 H new ATOM 0 HB2 GLN A 52 6.403 -7.871 9.948 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.093 -6.931 11.257 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.758 -6.429 12.056 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.142 -7.498 10.811 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.936 -9.629 11.245 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.628 -10.438 12.655 1.00 0.00 H new ATOM 794 N LYS A 53 3.752 -5.639 9.147 1.00 0.00 N ATOM 795 CA LYS A 53 2.600 -5.759 8.261 1.00 0.00 C ATOM 796 C LYS A 53 2.627 -4.678 7.185 1.00 0.00 C ATOM 797 O LYS A 53 2.664 -4.978 5.992 1.00 0.00 O ATOM 798 CB LYS A 53 1.301 -5.661 9.064 1.00 0.00 C ATOM 799 CG LYS A 53 0.053 -5.632 8.200 1.00 0.00 C ATOM 800 CD LYS A 53 0.055 -6.757 7.178 1.00 0.00 C ATOM 801 CE LYS A 53 -1.357 -7.215 6.849 1.00 0.00 C ATOM 802 NZ LYS A 53 -2.059 -6.251 5.957 1.00 0.00 N ATOM 0 H LYS A 53 3.526 -5.325 10.091 1.00 0.00 H new ATOM 0 HA LYS A 53 2.647 -6.733 7.774 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.241 -6.509 9.746 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.330 -4.760 9.677 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.831 -5.716 8.833 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.013 -4.673 7.686 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.551 -6.421 6.267 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.631 -7.599 7.563 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.319 -8.193 6.369 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.924 -7.335 7.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.914 -5.897 6.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.427 -5.454 5.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.327 -6.728 5.073 1.00 0.00 H new ATOM 816 N TYR A 54 2.610 -3.421 7.615 1.00 0.00 N ATOM 817 CA TYR A 54 2.631 -2.296 6.688 1.00 0.00 C ATOM 818 C TYR A 54 3.973 -1.572 6.741 1.00 0.00 C ATOM 819 O TYR A 54 4.394 -1.097 7.796 1.00 0.00 O ATOM 820 CB TYR A 54 1.499 -1.320 7.011 1.00 0.00 C ATOM 821 CG TYR A 54 0.133 -1.967 7.048 1.00 0.00 C ATOM 822 CD1 TYR A 54 -0.476 -2.417 5.882 1.00 0.00 C ATOM 823 CD2 TYR A 54 -0.548 -2.130 8.248 1.00 0.00 C ATOM 824 CE1 TYR A 54 -1.724 -3.008 5.911 1.00 0.00 C ATOM 825 CE2 TYR A 54 -1.796 -2.722 8.286 1.00 0.00 C ATOM 826 CZ TYR A 54 -2.380 -3.158 7.115 1.00 0.00 C ATOM 827 OH TYR A 54 -3.623 -3.748 7.148 1.00 0.00 O ATOM 0 H TYR A 54 2.582 -3.156 8.600 1.00 0.00 H new ATOM 0 HA TYR A 54 2.488 -2.686 5.680 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.697 -0.854 7.976 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.494 -0.523 6.267 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.035 -2.303 4.938 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.094 -1.788 9.167 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.184 -3.351 4.996 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.311 -2.843 9.227 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.946 -3.778 8.073 1.00 0.00 H new ATOM 837 N ASP A 55 4.639 -1.491 5.594 1.00 0.00 N ATOM 838 CA ASP A 55 5.933 -0.823 5.508 1.00 0.00 C ATOM 839 C ASP A 55 5.823 0.473 4.711 1.00 0.00 C ATOM 840 O ASP A 55 5.552 0.456 3.511 1.00 0.00 O ATOM 841 CB ASP A 55 6.966 -1.747 4.861 1.00 0.00 C ATOM 842 CG ASP A 55 7.135 -3.048 5.621 1.00 0.00 C ATOM 843 OD1 ASP A 55 6.144 -3.520 6.217 1.00 0.00 O ATOM 844 OD2 ASP A 55 8.258 -3.594 5.621 1.00 0.00 O ATOM 0 H ASP A 55 4.305 -1.879 4.712 1.00 0.00 H new ATOM 0 HA ASP A 55 6.257 -0.580 6.520 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.664 -1.965 3.837 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.926 -1.233 4.808 1.00 0.00 H new ATOM 849 N VAL A 56 6.034 1.598 5.389 1.00 0.00 N ATOM 850 CA VAL A 56 5.959 2.904 4.745 1.00 0.00 C ATOM 851 C VAL A 56 7.322 3.334 4.215 1.00 0.00 C ATOM 852 O VAL A 56 8.189 3.763 4.976 1.00 0.00 O ATOM 853 CB VAL A 56 5.435 3.979 5.715 1.00 0.00 C ATOM 854 CG1 VAL A 56 5.137 5.271 4.971 1.00 0.00 C ATOM 855 CG2 VAL A 56 4.199 3.478 6.447 1.00 0.00 C ATOM 0 H VAL A 56 6.258 1.630 6.384 1.00 0.00 H new ATOM 0 HA VAL A 56 5.263 2.807 3.912 1.00 0.00 H new ATOM 0 HB VAL A 56 6.209 4.185 6.454 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.768 6.018 5.673 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.048 5.637 4.498 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.381 5.085 4.208 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.842 4.250 7.128 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.418 3.243 5.724 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.450 2.582 7.014 1.00 0.00 H new ATOM 865 N VAL A 57 7.505 3.218 2.903 1.00 0.00 N ATOM 866 CA VAL A 57 8.762 3.597 2.270 1.00 0.00 C ATOM 867 C VAL A 57 8.635 4.937 1.554 1.00 0.00 C ATOM 868 O VAL A 57 8.118 5.009 0.438 1.00 0.00 O ATOM 869 CB VAL A 57 9.226 2.530 1.261 1.00 0.00 C ATOM 870 CG1 VAL A 57 10.522 2.958 0.589 1.00 0.00 C ATOM 871 CG2 VAL A 57 9.393 1.183 1.949 1.00 0.00 C ATOM 0 H VAL A 57 6.798 2.864 2.258 1.00 0.00 H new ATOM 0 HA VAL A 57 9.503 3.682 3.064 1.00 0.00 H new ATOM 0 HB VAL A 57 8.462 2.427 0.491 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.834 2.192 -0.120 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.365 3.899 0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.297 3.091 1.344 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.721 0.441 1.221 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.137 1.269 2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.440 0.873 2.379 1.00 0.00 H new ATOM 914 N THR A 61 10.701 11.354 -3.191 1.00 0.00 N ATOM 915 CA THR A 61 9.330 11.708 -3.537 1.00 0.00 C ATOM 916 C THR A 61 8.551 10.486 -4.012 1.00 0.00 C ATOM 917 O THR A 61 7.849 10.540 -5.021 1.00 0.00 O ATOM 918 CB THR A 61 9.288 12.788 -4.634 1.00 0.00 C ATOM 919 OG1 THR A 61 10.021 12.348 -5.783 1.00 0.00 O ATOM 920 CG2 THR A 61 9.870 14.098 -4.126 1.00 0.00 C ATOM 0 HA THR A 61 8.867 12.102 -2.632 1.00 0.00 H new ATOM 0 HB THR A 61 8.247 12.954 -4.910 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.736 11.739 -5.502 1.00 0.00 H new ATOM 0 HG21 THR A 61 9.830 14.846 -4.918 1.00 0.00 H new ATOM 0 HG22 THR A 61 9.292 14.445 -3.270 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.906 13.943 -3.825 1.00 0.00 H new ATOM 928 N MET A 62 8.678 9.386 -3.277 1.00 0.00 N ATOM 929 CA MET A 62 7.984 8.152 -3.623 1.00 0.00 C ATOM 930 C MET A 62 7.515 7.422 -2.368 1.00 0.00 C ATOM 931 O MET A 62 8.314 6.812 -1.659 1.00 0.00 O ATOM 932 CB MET A 62 8.897 7.241 -4.446 1.00 0.00 C ATOM 933 CG MET A 62 8.303 5.868 -4.714 1.00 0.00 C ATOM 934 SD MET A 62 9.563 4.604 -4.970 1.00 0.00 S ATOM 935 CE MET A 62 10.065 4.280 -3.281 1.00 0.00 C ATOM 0 H MET A 62 9.255 9.324 -2.438 1.00 0.00 H new ATOM 0 HA MET A 62 7.109 8.412 -4.219 1.00 0.00 H new ATOM 0 HB2 MET A 62 9.117 7.725 -5.398 1.00 0.00 H new ATOM 0 HB3 MET A 62 9.845 7.122 -3.922 1.00 0.00 H new ATOM 0 HG2 MET A 62 7.670 5.580 -3.874 1.00 0.00 H new ATOM 0 HG3 MET A 62 7.661 5.919 -5.594 1.00 0.00 H new ATOM 0 HE1 MET A 62 10.750 3.433 -3.261 1.00 0.00 H new ATOM 0 HE2 MET A 62 10.564 5.160 -2.875 1.00 0.00 H new ATOM 0 HE3 MET A 62 9.186 4.050 -2.678 1.00 0.00 H new ATOM 945 N ALA A 63 6.214 7.489 -2.101 1.00 0.00 N ATOM 946 CA ALA A 63 5.640 6.833 -0.933 1.00 0.00 C ATOM 947 C ALA A 63 5.050 5.476 -1.301 1.00 0.00 C ATOM 948 O ALA A 63 4.075 5.393 -2.047 1.00 0.00 O ATOM 949 CB ALA A 63 4.576 7.719 -0.301 1.00 0.00 C ATOM 0 H ALA A 63 5.539 7.991 -2.678 1.00 0.00 H new ATOM 0 HA ALA A 63 6.438 6.669 -0.209 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.155 7.217 0.570 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.025 8.664 0.006 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.785 7.911 -1.026 1.00 0.00 H new ATOM 955 N MET A 64 5.649 4.413 -0.773 1.00 0.00 N ATOM 956 CA MET A 64 5.183 3.059 -1.045 1.00 0.00 C ATOM 957 C MET A 64 4.724 2.373 0.238 1.00 0.00 C ATOM 958 O MET A 64 5.377 2.478 1.277 1.00 0.00 O ATOM 959 CB MET A 64 6.291 2.238 -1.708 1.00 0.00 C ATOM 960 CG MET A 64 5.819 0.891 -2.231 1.00 0.00 C ATOM 961 SD MET A 64 7.126 -0.023 -3.072 1.00 0.00 S ATOM 962 CE MET A 64 8.160 -0.489 -1.686 1.00 0.00 C ATOM 0 H MET A 64 6.458 4.464 -0.154 1.00 0.00 H new ATOM 0 HA MET A 64 4.333 3.124 -1.725 1.00 0.00 H new ATOM 0 HB2 MET A 64 6.713 2.812 -2.533 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.094 2.078 -0.988 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.441 0.295 -1.400 1.00 0.00 H new ATOM 0 HG3 MET A 64 4.987 1.044 -2.919 1.00 0.00 H new ATOM 0 HE1 MET A 64 9.136 -0.013 -1.783 1.00 0.00 H new ATOM 0 HE2 MET A 64 7.690 -0.167 -0.757 1.00 0.00 H new ATOM 0 HE3 MET A 64 8.285 -1.572 -1.673 1.00 0.00 H new ATOM 972 N LEU A 65 3.598 1.673 0.159 1.00 0.00 N ATOM 973 CA LEU A 65 3.052 0.970 1.314 1.00 0.00 C ATOM 974 C LEU A 65 2.958 -0.529 1.046 1.00 0.00 C ATOM 975 O LEU A 65 2.035 -0.993 0.375 1.00 0.00 O ATOM 976 CB LEU A 65 1.670 1.524 1.667 1.00 0.00 C ATOM 977 CG LEU A 65 0.994 0.910 2.893 1.00 0.00 C ATOM 978 CD1 LEU A 65 1.778 1.236 4.155 1.00 0.00 C ATOM 979 CD2 LEU A 65 -0.441 1.403 3.013 1.00 0.00 C ATOM 0 H LEU A 65 3.045 1.577 -0.693 1.00 0.00 H new ATOM 0 HA LEU A 65 3.726 1.128 2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.761 2.598 1.827 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.014 1.385 0.807 1.00 0.00 H new ATOM 0 HG LEU A 65 0.977 -0.173 2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.281 0.791 5.017 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.788 0.834 4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.827 2.317 4.283 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.907 0.956 3.891 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.446 2.488 3.113 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.999 1.118 2.121 1.00 0.00 H new ATOM 991 N VAL A 66 3.917 -1.281 1.575 1.00 0.00 N ATOM 992 CA VAL A 66 3.941 -2.728 1.395 1.00 0.00 C ATOM 993 C VAL A 66 3.010 -3.420 2.384 1.00 0.00 C ATOM 994 O VAL A 66 3.071 -3.170 3.588 1.00 0.00 O ATOM 995 CB VAL A 66 5.364 -3.291 1.566 1.00 0.00 C ATOM 996 CG1 VAL A 66 5.427 -4.737 1.096 1.00 0.00 C ATOM 997 CG2 VAL A 66 6.370 -2.433 0.814 1.00 0.00 C ATOM 0 H VAL A 66 4.688 -0.913 2.132 1.00 0.00 H new ATOM 0 HA VAL A 66 3.599 -2.927 0.379 1.00 0.00 H new ATOM 0 HB VAL A 66 5.620 -3.267 2.625 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.440 -5.118 1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.735 -5.341 1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.151 -4.790 0.043 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.370 -2.845 0.946 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.119 -2.423 -0.247 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.343 -1.415 1.203 1.00 0.00 H new ATOM 1007 N ILE A 67 2.149 -4.291 1.868 1.00 0.00 N ATOM 1008 CA ILE A 67 1.206 -5.020 2.707 1.00 0.00 C ATOM 1009 C ILE A 67 1.464 -6.522 2.646 1.00 0.00 C ATOM 1010 O ILE A 67 0.858 -7.234 1.846 1.00 0.00 O ATOM 1011 CB ILE A 67 -0.250 -4.744 2.288 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -0.524 -3.238 2.281 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -1.214 -5.459 3.223 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -1.572 -2.820 1.274 1.00 0.00 C ATOM 0 H ILE A 67 2.085 -4.509 0.874 1.00 0.00 H new ATOM 0 HA ILE A 67 1.355 -4.669 3.728 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.402 -5.127 1.279 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.845 -2.931 3.276 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.405 -2.709 2.068 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.239 -5.255 2.914 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.030 -6.533 3.183 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.064 -5.103 4.242 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.715 -1.741 1.324 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.244 -3.096 0.272 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.513 -3.321 1.499 1.00 0.00 H new ATOM 1026 N ARG A 68 2.367 -6.997 3.498 1.00 0.00 N ATOM 1027 CA ARG A 68 2.705 -8.414 3.541 1.00 0.00 C ATOM 1028 C ARG A 68 1.460 -9.263 3.782 1.00 0.00 C ATOM 1029 O ARG A 68 0.630 -8.939 4.630 1.00 0.00 O ATOM 1030 CB ARG A 68 3.737 -8.681 4.639 1.00 0.00 C ATOM 1031 CG ARG A 68 5.176 -8.553 4.166 1.00 0.00 C ATOM 1032 CD ARG A 68 5.519 -7.115 3.808 1.00 0.00 C ATOM 1033 NE ARG A 68 6.038 -6.374 4.955 1.00 0.00 N ATOM 1034 CZ ARG A 68 7.180 -6.670 5.566 1.00 0.00 C ATOM 1035 NH1 ARG A 68 7.919 -7.685 5.140 1.00 0.00 N ATOM 1036 NH2 ARG A 68 7.585 -5.949 6.603 1.00 0.00 N ATOM 0 H ARG A 68 2.877 -6.421 4.168 1.00 0.00 H new ATOM 0 HA ARG A 68 3.131 -8.689 2.576 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.570 -7.984 5.460 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.582 -9.684 5.036 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.850 -8.905 4.947 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.333 -9.193 3.298 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.258 -7.107 3.007 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.629 -6.615 3.426 1.00 0.00 H new ATOM 0 HE ARG A 68 5.494 -5.586 5.306 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.611 -8.240 4.342 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.795 -7.911 5.611 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.020 -5.166 6.932 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.462 -6.177 7.071 1.00 0.00 H new ATOM 1050 N GLY A 69 1.337 -10.351 3.028 1.00 0.00 N ATOM 1051 CA GLY A 69 0.191 -11.229 3.174 1.00 0.00 C ATOM 1052 C GLY A 69 -1.125 -10.479 3.113 1.00 0.00 C ATOM 1053 O GLY A 69 -1.721 -10.172 4.146 1.00 0.00 O ATOM 0 H GLY A 69 2.011 -10.640 2.319 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.213 -11.983 2.388 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.261 -11.758 4.125 1.00 0.00 H new ATOM 1057 N ALA A 70 -1.579 -10.182 1.900 1.00 0.00 N ATOM 1058 CA ALA A 70 -2.833 -9.464 1.709 1.00 0.00 C ATOM 1059 C ALA A 70 -4.009 -10.429 1.610 1.00 0.00 C ATOM 1060 O ALA A 70 -4.230 -11.049 0.569 1.00 0.00 O ATOM 1061 CB ALA A 70 -2.757 -8.592 0.464 1.00 0.00 C ATOM 0 H ALA A 70 -1.097 -10.427 1.035 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.993 -8.826 2.578 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.700 -8.061 0.333 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.947 -7.871 0.574 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.569 -9.218 -0.408 1.00 0.00 H new ATOM 1067 N SER A 71 -4.761 -10.552 2.699 1.00 0.00 N ATOM 1068 CA SER A 71 -5.912 -11.446 2.736 1.00 0.00 C ATOM 1069 C SER A 71 -7.142 -10.773 2.133 1.00 0.00 C ATOM 1070 O SER A 71 -7.150 -9.564 1.899 1.00 0.00 O ATOM 1071 CB SER A 71 -6.206 -11.876 4.175 1.00 0.00 C ATOM 1072 OG SER A 71 -5.071 -12.485 4.766 1.00 0.00 O ATOM 0 H SER A 71 -4.594 -10.044 3.567 1.00 0.00 H new ATOM 0 HA SER A 71 -5.674 -12.329 2.143 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.505 -11.009 4.763 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.044 -12.573 4.186 1.00 0.00 H new ATOM 0 HG SER A 71 -5.283 -12.749 5.685 1.00 0.00 H new ATOM 1078 N LEU A 72 -8.180 -11.565 1.885 1.00 0.00 N ATOM 1079 CA LEU A 72 -9.416 -11.047 1.310 1.00 0.00 C ATOM 1080 C LEU A 72 -9.954 -9.882 2.134 1.00 0.00 C ATOM 1081 O LEU A 72 -10.698 -9.041 1.629 1.00 0.00 O ATOM 1082 CB LEU A 72 -10.467 -12.156 1.227 1.00 0.00 C ATOM 1083 CG LEU A 72 -10.062 -13.408 0.447 1.00 0.00 C ATOM 1084 CD1 LEU A 72 -11.003 -14.560 0.760 1.00 0.00 C ATOM 1085 CD2 LEU A 72 -10.044 -13.122 -1.047 1.00 0.00 C ATOM 0 H LEU A 72 -8.190 -12.567 2.073 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.197 -10.686 0.305 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.732 -12.454 2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.367 -11.743 0.771 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.056 -13.695 0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.699 -15.442 0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.965 -14.781 1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.020 -14.285 0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.754 -14.024 -1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.037 -12.810 -1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.328 -12.327 -1.257 1.00 0.00 H new ATOM 1097 N LYS A 73 -9.572 -9.837 3.406 1.00 0.00 N ATOM 1098 CA LYS A 73 -10.012 -8.773 4.300 1.00 0.00 C ATOM 1099 C LYS A 73 -9.130 -7.537 4.152 1.00 0.00 C ATOM 1100 O LYS A 73 -9.611 -6.407 4.235 1.00 0.00 O ATOM 1101 CB LYS A 73 -9.989 -9.258 5.752 1.00 0.00 C ATOM 1102 CG LYS A 73 -11.207 -10.080 6.138 1.00 0.00 C ATOM 1103 CD LYS A 73 -12.394 -9.194 6.477 1.00 0.00 C ATOM 1104 CE LYS A 73 -13.687 -9.991 6.531 1.00 0.00 C ATOM 1105 NZ LYS A 73 -14.170 -10.357 5.170 1.00 0.00 N ATOM 0 H LYS A 73 -8.958 -10.526 3.841 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.033 -8.503 4.029 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.092 -9.856 5.912 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.919 -8.395 6.414 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.472 -10.746 5.317 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.966 -10.710 6.994 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.224 -8.709 7.438 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.484 -8.403 5.732 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.531 -10.897 7.117 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.452 -9.408 7.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.138 -10.732 5.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.165 -9.514 4.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.544 -11.081 4.763 1.00 0.00 H new ATOM 1119 N ASP A 74 -7.840 -7.761 3.931 1.00 0.00 N ATOM 1120 CA ASP A 74 -6.891 -6.665 3.768 1.00 0.00 C ATOM 1121 C ASP A 74 -7.385 -5.670 2.723 1.00 0.00 C ATOM 1122 O ASP A 74 -6.974 -4.510 2.713 1.00 0.00 O ATOM 1123 CB ASP A 74 -5.518 -7.206 3.366 1.00 0.00 C ATOM 1124 CG ASP A 74 -4.791 -7.857 4.526 1.00 0.00 C ATOM 1125 OD1 ASP A 74 -5.461 -8.495 5.365 1.00 0.00 O ATOM 1126 OD2 ASP A 74 -3.550 -7.730 4.595 1.00 0.00 O ATOM 0 H ASP A 74 -7.427 -8.691 3.861 1.00 0.00 H new ATOM 0 HA ASP A 74 -6.803 -6.148 4.724 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.638 -7.932 2.562 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.911 -6.391 2.971 1.00 0.00 H new ATOM 1131 N ALA A 75 -8.268 -6.132 1.843 1.00 0.00 N ATOM 1132 CA ALA A 75 -8.818 -5.282 0.795 1.00 0.00 C ATOM 1133 C ALA A 75 -9.570 -4.096 1.388 1.00 0.00 C ATOM 1134 O ALA A 75 -10.535 -4.268 2.131 1.00 0.00 O ATOM 1135 CB ALA A 75 -9.734 -6.090 -0.113 1.00 0.00 C ATOM 0 H ALA A 75 -8.617 -7.090 1.836 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.989 -4.894 0.204 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.138 -5.443 -0.891 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.168 -6.900 -0.572 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.553 -6.506 0.474 1.00 0.00 H new ATOM 1141 N GLY A 76 -9.121 -2.889 1.054 1.00 0.00 N ATOM 1142 CA GLY A 76 -9.763 -1.692 1.563 1.00 0.00 C ATOM 1143 C GLY A 76 -9.332 -0.442 0.821 1.00 0.00 C ATOM 1144 O GLY A 76 -8.630 -0.523 -0.186 1.00 0.00 O ATOM 0 H GLY A 76 -8.324 -2.720 0.440 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.845 -1.802 1.485 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.530 -1.581 2.622 1.00 0.00 H new ATOM 1148 N GLU A 77 -9.756 0.715 1.318 1.00 0.00 N ATOM 1149 CA GLU A 77 -9.411 1.987 0.692 1.00 0.00 C ATOM 1150 C GLU A 77 -8.242 2.649 1.415 1.00 0.00 C ATOM 1151 O GLU A 77 -8.245 2.773 2.640 1.00 0.00 O ATOM 1152 CB GLU A 77 -10.621 2.924 0.689 1.00 0.00 C ATOM 1153 CG GLU A 77 -10.331 4.290 0.090 1.00 0.00 C ATOM 1154 CD GLU A 77 -11.339 5.340 0.516 1.00 0.00 C ATOM 1155 OE1 GLU A 77 -11.320 5.732 1.702 1.00 0.00 O ATOM 1156 OE2 GLU A 77 -12.145 5.769 -0.335 1.00 0.00 O ATOM 0 H GLU A 77 -10.338 0.799 2.151 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.113 1.788 -0.337 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.431 2.456 0.130 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.973 3.053 1.713 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.332 4.609 0.388 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.330 4.213 -0.997 1.00 0.00 H new ATOM 1163 N TYR A 78 -7.243 3.072 0.647 1.00 0.00 N ATOM 1164 CA TYR A 78 -6.066 3.720 1.214 1.00 0.00 C ATOM 1165 C TYR A 78 -6.012 5.193 0.821 1.00 0.00 C ATOM 1166 O TYR A 78 -5.813 5.530 -0.347 1.00 0.00 O ATOM 1167 CB TYR A 78 -4.794 3.009 0.747 1.00 0.00 C ATOM 1168 CG TYR A 78 -4.640 1.613 1.307 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -5.312 0.538 0.740 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -3.822 1.370 2.404 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -5.175 -0.739 1.249 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -3.678 0.096 2.919 1.00 0.00 C ATOM 1173 CZ TYR A 78 -4.357 -0.955 2.338 1.00 0.00 C ATOM 1174 OH TYR A 78 -4.216 -2.226 2.847 1.00 0.00 O ATOM 0 H TYR A 78 -7.225 2.978 -0.368 1.00 0.00 H new ATOM 0 HA TYR A 78 -6.134 3.655 2.300 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.796 2.956 -0.342 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.928 3.605 1.036 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.953 0.703 -0.114 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.290 2.191 2.862 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -5.706 -1.564 0.797 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -3.038 -0.076 3.771 1.00 0.00 H new ATOM 0 HH TYR A 78 -3.604 -2.206 3.612 1.00 0.00 H new ATOM 1184 N THR A 79 -6.191 6.068 1.805 1.00 0.00 N ATOM 1185 CA THR A 79 -6.164 7.505 1.565 1.00 0.00 C ATOM 1186 C THR A 79 -4.820 8.104 1.964 1.00 0.00 C ATOM 1187 O THR A 79 -4.508 8.217 3.150 1.00 0.00 O ATOM 1188 CB THR A 79 -7.285 8.226 2.338 1.00 0.00 C ATOM 1189 OG1 THR A 79 -8.562 7.723 1.931 1.00 0.00 O ATOM 1190 CG2 THR A 79 -7.226 9.727 2.102 1.00 0.00 C ATOM 0 H THR A 79 -6.356 5.806 2.777 1.00 0.00 H new ATOM 0 HA THR A 79 -6.320 7.649 0.496 1.00 0.00 H new ATOM 0 HB THR A 79 -7.143 8.036 3.402 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.269 8.185 2.428 1.00 0.00 H new ATOM 0 HG21 THR A 79 -8.027 10.214 2.658 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.264 10.111 2.440 1.00 0.00 H new ATOM 0 HG23 THR A 79 -7.345 9.933 1.038 1.00 0.00 H new ATOM 1198 N CYS A 80 -4.030 8.487 0.968 1.00 0.00 N ATOM 1199 CA CYS A 80 -2.718 9.075 1.216 1.00 0.00 C ATOM 1200 C CYS A 80 -2.837 10.568 1.506 1.00 0.00 C ATOM 1201 O CYS A 80 -2.561 11.401 0.644 1.00 0.00 O ATOM 1202 CB CYS A 80 -1.799 8.849 0.014 1.00 0.00 C ATOM 1203 SG CYS A 80 -0.806 7.341 0.117 1.00 0.00 S ATOM 0 H CYS A 80 -4.274 8.401 -0.019 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.288 8.586 2.090 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -2.405 8.811 -0.891 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.131 9.705 -0.085 1.00 0.00 H new ATOM 0 HG CYS A 80 -1.540 6.368 0.569 1.00 0.00 H new ATOM 1209 N GLU A 81 -3.252 10.897 2.726 1.00 0.00 N ATOM 1210 CA GLU A 81 -3.410 12.289 3.128 1.00 0.00 C ATOM 1211 C GLU A 81 -2.056 12.988 3.215 1.00 0.00 C ATOM 1212 O GLU A 81 -1.207 12.621 4.028 1.00 0.00 O ATOM 1213 CB GLU A 81 -4.128 12.375 4.476 1.00 0.00 C ATOM 1214 CG GLU A 81 -4.991 13.617 4.628 1.00 0.00 C ATOM 1215 CD GLU A 81 -5.099 14.079 6.068 1.00 0.00 C ATOM 1216 OE1 GLU A 81 -4.147 13.841 6.840 1.00 0.00 O ATOM 1217 OE2 GLU A 81 -6.136 14.678 6.423 1.00 0.00 O ATOM 0 H GLU A 81 -3.484 10.219 3.452 1.00 0.00 H new ATOM 0 HA GLU A 81 -4.011 12.793 2.371 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -4.753 11.491 4.602 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.387 12.358 5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.573 14.421 4.023 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.989 13.411 4.240 1.00 0.00 H new ATOM 1224 N VAL A 82 -1.862 13.996 2.371 1.00 0.00 N ATOM 1225 CA VAL A 82 -0.612 14.747 2.353 1.00 0.00 C ATOM 1226 C VAL A 82 -0.810 16.157 2.897 1.00 0.00 C ATOM 1227 O VAL A 82 -1.910 16.526 3.307 1.00 0.00 O ATOM 1228 CB VAL A 82 -0.031 14.835 0.929 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -0.696 15.959 0.149 1.00 0.00 C ATOM 1230 CG2 VAL A 82 1.477 15.029 0.980 1.00 0.00 C ATOM 0 H VAL A 82 -2.554 14.311 1.691 1.00 0.00 H new ATOM 0 HA VAL A 82 0.089 14.210 2.991 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.236 13.897 0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.273 16.006 -0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.768 15.771 0.082 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.525 16.907 0.659 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.871 15.089 -0.035 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.707 15.951 1.514 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.935 14.186 1.498 1.00 0.00 H new ATOM 1240 N GLU A 83 0.263 16.942 2.895 1.00 0.00 N ATOM 1241 CA GLU A 83 0.206 18.313 3.389 1.00 0.00 C ATOM 1242 C GLU A 83 -1.181 18.912 3.176 1.00 0.00 C ATOM 1243 O GLU A 83 -1.922 19.144 4.131 1.00 0.00 O ATOM 1244 CB GLU A 83 1.258 19.175 2.689 1.00 0.00 C ATOM 1245 CG GLU A 83 1.672 18.644 1.327 1.00 0.00 C ATOM 1246 CD GLU A 83 2.237 19.725 0.426 1.00 0.00 C ATOM 1247 OE1 GLU A 83 3.139 20.461 0.877 1.00 0.00 O ATOM 1248 OE2 GLU A 83 1.776 19.835 -0.730 1.00 0.00 O ATOM 0 H GLU A 83 1.181 16.653 2.557 1.00 0.00 H new ATOM 0 HA GLU A 83 0.414 18.295 4.459 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.868 20.186 2.572 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.140 19.245 3.326 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.417 17.860 1.458 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.810 18.186 0.842 1.00 0.00 H new ATOM 1255 N ALA A 84 -1.526 19.159 1.917 1.00 0.00 N ATOM 1256 CA ALA A 84 -2.823 19.728 1.577 1.00 0.00 C ATOM 1257 C ALA A 84 -3.570 18.841 0.587 1.00 0.00 C ATOM 1258 O ALA A 84 -4.799 18.768 0.607 1.00 0.00 O ATOM 1259 CB ALA A 84 -2.653 21.129 1.009 1.00 0.00 C ATOM 0 H ALA A 84 -0.924 18.973 1.115 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.416 19.788 2.490 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.631 21.542 0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.169 21.766 1.750 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.038 21.085 0.110 1.00 0.00 H new ATOM 1265 N SER A 85 -2.820 18.168 -0.280 1.00 0.00 N ATOM 1266 CA SER A 85 -3.412 17.289 -1.282 1.00 0.00 C ATOM 1267 C SER A 85 -3.939 16.010 -0.639 1.00 0.00 C ATOM 1268 O SER A 85 -3.920 15.862 0.583 1.00 0.00 O ATOM 1269 CB SER A 85 -2.383 16.944 -2.360 1.00 0.00 C ATOM 1270 OG SER A 85 -3.018 16.610 -3.583 1.00 0.00 O ATOM 0 H SER A 85 -1.801 18.215 -0.309 1.00 0.00 H new ATOM 0 HA SER A 85 -4.248 17.815 -1.743 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.714 17.791 -2.513 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.768 16.109 -2.026 1.00 0.00 H new ATOM 0 HG SER A 85 -2.339 16.395 -4.256 1.00 0.00 H new ATOM 1276 N LYS A 86 -4.410 15.088 -1.471 1.00 0.00 N ATOM 1277 CA LYS A 86 -4.942 13.820 -0.987 1.00 0.00 C ATOM 1278 C LYS A 86 -5.101 12.824 -2.131 1.00 0.00 C ATOM 1279 O LYS A 86 -5.393 13.207 -3.264 1.00 0.00 O ATOM 1280 CB LYS A 86 -6.290 14.039 -0.296 1.00 0.00 C ATOM 1281 CG LYS A 86 -6.167 14.483 1.151 1.00 0.00 C ATOM 1282 CD LYS A 86 -7.312 13.952 1.997 1.00 0.00 C ATOM 1283 CE LYS A 86 -8.662 14.335 1.411 1.00 0.00 C ATOM 1284 NZ LYS A 86 -8.968 15.777 1.618 1.00 0.00 N ATOM 0 H LYS A 86 -4.434 15.195 -2.485 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.234 13.409 -0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.855 14.788 -0.850 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.864 13.113 -0.336 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.219 14.134 1.560 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.153 15.572 1.198 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.240 12.867 2.069 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.229 14.345 3.010 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.671 14.111 0.344 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.442 13.729 1.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.896 15.998 1.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.984 15.986 2.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.237 16.356 1.158 1.00 0.00 H new ATOM 1298 N SER A 87 -4.909 11.544 -1.827 1.00 0.00 N ATOM 1299 CA SER A 87 -5.029 10.493 -2.831 1.00 0.00 C ATOM 1300 C SER A 87 -5.835 9.316 -2.291 1.00 0.00 C ATOM 1301 O SER A 87 -5.550 8.794 -1.212 1.00 0.00 O ATOM 1302 CB SER A 87 -3.643 10.019 -3.271 1.00 0.00 C ATOM 1303 OG SER A 87 -3.677 8.665 -3.690 1.00 0.00 O ATOM 0 H SER A 87 -4.670 11.210 -0.893 1.00 0.00 H new ATOM 0 HA SER A 87 -5.554 10.905 -3.693 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.282 10.646 -4.086 1.00 0.00 H new ATOM 0 HB3 SER A 87 -2.938 10.131 -2.447 1.00 0.00 H new ATOM 0 HG SER A 87 -4.296 8.571 -4.444 1.00 0.00 H new ATOM 1309 N THR A 88 -6.845 8.900 -3.049 1.00 0.00 N ATOM 1310 CA THR A 88 -7.694 7.785 -2.648 1.00 0.00 C ATOM 1311 C THR A 88 -7.559 6.615 -3.616 1.00 0.00 C ATOM 1312 O THR A 88 -7.331 6.808 -4.810 1.00 0.00 O ATOM 1313 CB THR A 88 -9.174 8.205 -2.572 1.00 0.00 C ATOM 1314 OG1 THR A 88 -9.310 9.373 -1.754 1.00 0.00 O ATOM 1315 CG2 THR A 88 -10.027 7.080 -2.005 1.00 0.00 C ATOM 0 H THR A 88 -7.095 9.319 -3.945 1.00 0.00 H new ATOM 0 HA THR A 88 -7.361 7.474 -1.658 1.00 0.00 H new ATOM 0 HB THR A 88 -9.519 8.427 -3.582 1.00 0.00 H new ATOM 0 HG1 THR A 88 -10.253 9.635 -1.712 1.00 0.00 H new ATOM 0 HG21 THR A 88 -11.068 7.400 -1.961 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.944 6.202 -2.646 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.681 6.831 -1.002 1.00 0.00 H new ATOM 1323 N ALA A 89 -7.701 5.402 -3.094 1.00 0.00 N ATOM 1324 CA ALA A 89 -7.598 4.201 -3.913 1.00 0.00 C ATOM 1325 C ALA A 89 -8.282 3.016 -3.239 1.00 0.00 C ATOM 1326 O ALA A 89 -8.556 3.045 -2.039 1.00 0.00 O ATOM 1327 CB ALA A 89 -6.138 3.878 -4.195 1.00 0.00 C ATOM 0 H ALA A 89 -7.888 5.225 -2.107 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.106 4.392 -4.858 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.076 2.979 -4.808 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.677 4.711 -4.726 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.614 3.713 -3.254 1.00 0.00 H new ATOM 1333 N SER A 90 -8.557 1.975 -4.019 1.00 0.00 N ATOM 1334 CA SER A 90 -9.214 0.782 -3.498 1.00 0.00 C ATOM 1335 C SER A 90 -8.402 -0.469 -3.819 1.00 0.00 C ATOM 1336 O SER A 90 -7.987 -0.679 -4.960 1.00 0.00 O ATOM 1337 CB SER A 90 -10.622 0.654 -4.081 1.00 0.00 C ATOM 1338 OG SER A 90 -11.469 -0.079 -3.213 1.00 0.00 O ATOM 0 H SER A 90 -8.335 1.934 -5.014 1.00 0.00 H new ATOM 0 HA SER A 90 -9.285 0.880 -2.415 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.040 1.646 -4.250 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.574 0.159 -5.051 1.00 0.00 H new ATOM 0 HG SER A 90 -12.364 -0.145 -3.608 1.00 0.00 H new ATOM 1344 N LEU A 91 -8.178 -1.298 -2.806 1.00 0.00 N ATOM 1345 CA LEU A 91 -7.416 -2.530 -2.978 1.00 0.00 C ATOM 1346 C LEU A 91 -8.346 -3.724 -3.168 1.00 0.00 C ATOM 1347 O LEU A 91 -9.354 -3.855 -2.474 1.00 0.00 O ATOM 1348 CB LEU A 91 -6.507 -2.764 -1.771 1.00 0.00 C ATOM 1349 CG LEU A 91 -6.061 -4.208 -1.536 1.00 0.00 C ATOM 1350 CD1 LEU A 91 -5.084 -4.647 -2.615 1.00 0.00 C ATOM 1351 CD2 LEU A 91 -5.437 -4.356 -0.156 1.00 0.00 C ATOM 0 H LEU A 91 -8.513 -1.139 -1.856 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.802 -2.426 -3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.618 -2.144 -1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.026 -2.415 -0.878 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.939 -4.852 -1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.778 -5.677 -2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.565 -4.580 -3.591 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.208 -3.999 -2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.126 -5.390 -0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.570 -3.701 -0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.168 -4.084 0.605 1.00 0.00 H new ATOM 1363 N HIS A 92 -8.000 -4.593 -4.113 1.00 0.00 N ATOM 1364 CA HIS A 92 -8.802 -5.778 -4.392 1.00 0.00 C ATOM 1365 C HIS A 92 -8.005 -7.051 -4.122 1.00 0.00 C ATOM 1366 O HIS A 92 -6.796 -7.098 -4.348 1.00 0.00 O ATOM 1367 CB HIS A 92 -9.285 -5.763 -5.843 1.00 0.00 C ATOM 1368 CG HIS A 92 -9.967 -4.489 -6.234 1.00 0.00 C ATOM 1369 ND1 HIS A 92 -9.630 -3.548 -7.148 1.00 0.00 N flip ATOM 1370 CD2 HIS A 92 -11.144 -4.057 -5.659 1.00 0.00 C flip ATOM 1371 CE1 HIS A 92 -10.600 -2.577 -7.109 1.00 0.00 C flip ATOM 1372 NE2 HIS A 92 -11.502 -2.908 -6.203 1.00 0.00 N flip ATOM 0 H HIS A 92 -7.170 -4.498 -4.698 1.00 0.00 H new ATOM 0 HA HIS A 92 -9.667 -5.765 -3.729 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.433 -5.926 -6.503 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -9.972 -6.595 -5.997 1.00 0.00 H new ATOM 0 HD1 HIS A 92 -8.809 -3.559 -7.753 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -11.688 -4.577 -4.885 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -10.622 -1.687 -7.720 1.00 0.00 H new ATOM 1381 N VAL A 93 -8.690 -8.081 -3.636 1.00 0.00 N ATOM 1382 CA VAL A 93 -8.046 -9.354 -3.335 1.00 0.00 C ATOM 1383 C VAL A 93 -8.941 -10.527 -3.719 1.00 0.00 C ATOM 1384 O VAL A 93 -9.937 -10.804 -3.052 1.00 0.00 O ATOM 1385 CB VAL A 93 -7.688 -9.463 -1.841 1.00 0.00 C ATOM 1386 CG1 VAL A 93 -7.034 -10.804 -1.545 1.00 0.00 C ATOM 1387 CG2 VAL A 93 -6.780 -8.315 -1.426 1.00 0.00 C ATOM 0 H VAL A 93 -9.691 -8.059 -3.442 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.130 -9.392 -3.924 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.607 -9.398 -1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.788 -10.863 -0.485 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.722 -11.609 -1.803 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.123 -10.902 -2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.537 -8.408 -0.367 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.862 -8.347 -2.013 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.289 -7.367 -1.600 1.00 0.00 H new ATOM 1397 N GLU A 94 -8.577 -11.213 -4.798 1.00 0.00 N ATOM 1398 CA GLU A 94 -9.348 -12.357 -5.271 1.00 0.00 C ATOM 1399 C GLU A 94 -8.436 -13.543 -5.569 1.00 0.00 C ATOM 1400 O GLU A 94 -7.370 -13.384 -6.163 1.00 0.00 O ATOM 1401 CB GLU A 94 -10.142 -11.983 -6.524 1.00 0.00 C ATOM 1402 CG GLU A 94 -11.364 -11.126 -6.238 1.00 0.00 C ATOM 1403 CD GLU A 94 -12.538 -11.937 -5.725 1.00 0.00 C ATOM 1404 OE1 GLU A 94 -12.655 -13.119 -6.108 1.00 0.00 O ATOM 1405 OE2 GLU A 94 -13.339 -11.388 -4.940 1.00 0.00 O ATOM 0 H GLU A 94 -7.754 -10.997 -5.360 1.00 0.00 H new ATOM 0 HA GLU A 94 -10.043 -12.645 -4.482 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.487 -11.449 -7.213 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.459 -12.896 -7.029 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -11.105 -10.364 -5.503 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -11.658 -10.604 -7.148 1.00 0.00 H new ATOM 1412 N GLU A 95 -8.862 -14.730 -5.150 1.00 0.00 N ATOM 1413 CA GLU A 95 -8.083 -15.943 -5.371 1.00 0.00 C ATOM 1414 C GLU A 95 -8.336 -16.506 -6.767 1.00 0.00 C ATOM 1415 O GLU A 95 -9.238 -16.058 -7.475 1.00 0.00 O ATOM 1416 CB GLU A 95 -8.425 -16.995 -4.315 1.00 0.00 C ATOM 1417 CG GLU A 95 -7.274 -17.935 -3.996 1.00 0.00 C ATOM 1418 CD GLU A 95 -7.477 -18.686 -2.695 1.00 0.00 C ATOM 1419 OE1 GLU A 95 -8.555 -19.291 -2.520 1.00 0.00 O ATOM 1420 OE2 GLU A 95 -6.557 -18.667 -1.850 1.00 0.00 O ATOM 0 H GLU A 95 -9.742 -14.878 -4.656 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.027 -15.686 -5.288 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -8.736 -16.491 -3.400 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.276 -17.581 -4.661 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.158 -18.651 -4.810 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.348 -17.363 -3.940 1.00 0.00 H new