USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 661 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 57 TYR OH : rot -42:sc= 1.06 USER MOD Set 1.2: A 59 SER OG : rot 58:sc= 0.866 USER MOD Set 2.1: A 11 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -159:sc= -0.0946 (180deg=-0.501) USER MOD Single : A 16 CYS SG : rot -111:sc= -0.364 USER MOD Single : A 27 LYS NZ :NH3+ -135:sc= -1.36 (180deg=-2.37!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -160:sc= -0.0037 (180deg=-0.31) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00678 USER MOD Single : A 36 GLN : amide:sc= -0.126 X(o=-0.13,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 61:sc= 1.2 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 166:sc= -0.989 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -8.43! C(o=-8.4!,f=-15!) USER MOD Single : A 74 GLN : amide:sc= -0.0015 K(o=-0.0015,f=-3!) USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 79 TYR OH : rot 60:sc= 0.584 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.13) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLN A 8 0.612 4.893 -13.984 1.00 0.00 N ATOM 67 CA GLN A 8 1.304 3.614 -14.083 1.00 0.00 C ATOM 68 C GLN A 8 1.157 2.814 -12.793 1.00 0.00 C ATOM 69 O GLN A 8 1.013 3.383 -11.710 1.00 0.00 O ATOM 70 CB GLN A 8 2.785 3.834 -14.394 1.00 0.00 C ATOM 71 CG GLN A 8 3.560 4.465 -13.249 1.00 0.00 C ATOM 72 CD GLN A 8 4.893 5.036 -13.691 1.00 0.00 C ATOM 73 OE1 GLN A 8 5.853 4.299 -13.920 1.00 0.00 O ATOM 74 NE2 GLN A 8 4.960 6.357 -13.813 1.00 0.00 N ATOM 0 HA GLN A 8 0.850 3.046 -14.895 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.241 2.877 -14.646 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.872 4.470 -15.275 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.960 5.258 -12.802 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.728 3.717 -12.474 1.00 0.00 H new ATOM 0 HE21 GLN A 8 4.140 6.930 -13.613 1.00 0.00 H new ATOM 0 HE22 GLN A 8 5.831 6.799 -14.107 1.00 0.00 H new ATOM 83 N LEU A 9 1.193 1.491 -12.916 1.00 0.00 N ATOM 84 CA LEU A 9 1.064 0.612 -11.759 1.00 0.00 C ATOM 85 C LEU A 9 2.423 0.354 -11.116 1.00 0.00 C ATOM 86 O LEU A 9 3.407 0.086 -11.806 1.00 0.00 O ATOM 87 CB LEU A 9 0.422 -0.714 -12.172 1.00 0.00 C ATOM 88 CG LEU A 9 -1.103 -0.775 -12.091 1.00 0.00 C ATOM 89 CD1 LEU A 9 -1.724 -0.397 -13.427 1.00 0.00 C ATOM 90 CD2 LEU A 9 -1.560 -2.163 -11.662 1.00 0.00 C ATOM 0 H LEU A 9 1.310 1.004 -13.805 1.00 0.00 H new ATOM 0 HA LEU A 9 0.425 1.106 -11.027 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.721 -0.936 -13.197 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.831 -1.504 -11.543 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.437 -0.057 -11.342 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.810 -0.446 -13.350 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.424 0.617 -13.694 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.383 -1.090 -14.196 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.648 -2.188 -11.610 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.215 -2.900 -12.387 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.144 -2.396 -10.682 1.00 0.00 H new ATOM 102 N LEU A 10 2.469 0.436 -9.791 1.00 0.00 N ATOM 103 CA LEU A 10 3.707 0.209 -9.053 1.00 0.00 C ATOM 104 C LEU A 10 3.707 -1.169 -8.400 1.00 0.00 C ATOM 105 O LEU A 10 2.686 -1.623 -7.883 1.00 0.00 O ATOM 106 CB LEU A 10 3.895 1.291 -7.989 1.00 0.00 C ATOM 107 CG LEU A 10 3.282 2.656 -8.303 1.00 0.00 C ATOM 108 CD1 LEU A 10 3.626 3.660 -7.214 1.00 0.00 C ATOM 109 CD2 LEU A 10 3.758 3.155 -9.660 1.00 0.00 C ATOM 0 H LEU A 10 1.664 0.658 -9.206 1.00 0.00 H new ATOM 0 HA LEU A 10 4.536 0.255 -9.759 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.468 0.930 -7.053 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.964 1.425 -7.821 1.00 0.00 H new ATOM 0 HG LEU A 10 2.198 2.546 -8.338 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.181 4.625 -7.455 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.235 3.309 -6.259 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.709 3.766 -7.146 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.312 4.128 -9.867 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.844 3.248 -9.653 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.460 2.447 -10.433 1.00 0.00 H new ATOM 121 N THR A 11 4.860 -1.830 -8.425 1.00 0.00 N ATOM 122 CA THR A 11 4.994 -3.156 -7.835 1.00 0.00 C ATOM 123 C THR A 11 5.551 -3.073 -6.418 1.00 0.00 C ATOM 124 O THR A 11 6.744 -2.842 -6.221 1.00 0.00 O ATOM 125 CB THR A 11 5.911 -4.058 -8.682 1.00 0.00 C ATOM 126 OG1 THR A 11 5.429 -4.119 -10.029 1.00 0.00 O ATOM 127 CG2 THR A 11 5.978 -5.462 -8.099 1.00 0.00 C ATOM 0 H THR A 11 5.715 -1.468 -8.848 1.00 0.00 H new ATOM 0 HA THR A 11 3.995 -3.591 -7.806 1.00 0.00 H new ATOM 0 HB THR A 11 6.913 -3.630 -8.673 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.018 -4.693 -10.562 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.631 -6.081 -8.714 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.372 -5.416 -7.084 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.979 -5.897 -8.081 1.00 0.00 H new ATOM 135 N LEU A 12 4.679 -3.264 -5.433 1.00 0.00 N ATOM 136 CA LEU A 12 5.084 -3.212 -4.033 1.00 0.00 C ATOM 137 C LEU A 12 4.709 -4.501 -3.309 1.00 0.00 C ATOM 138 O LEU A 12 3.949 -5.319 -3.828 1.00 0.00 O ATOM 139 CB LEU A 12 4.433 -2.015 -3.338 1.00 0.00 C ATOM 140 CG LEU A 12 4.465 -0.693 -4.106 1.00 0.00 C ATOM 141 CD1 LEU A 12 3.402 0.257 -3.577 1.00 0.00 C ATOM 142 CD2 LEU A 12 5.845 -0.057 -4.015 1.00 0.00 C ATOM 0 H LEU A 12 3.688 -3.456 -5.579 1.00 0.00 H new ATOM 0 HA LEU A 12 6.168 -3.100 -3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.393 -2.264 -3.127 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.926 -1.866 -2.377 1.00 0.00 H new ATOM 0 HG LEU A 12 4.250 -0.898 -5.155 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.440 1.192 -4.135 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.418 -0.196 -3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.586 0.457 -2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.850 0.883 -4.567 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.089 0.135 -2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.586 -0.733 -4.443 1.00 0.00 H new ATOM 154 N LYS A 13 5.245 -4.675 -2.106 1.00 0.00 N ATOM 155 CA LYS A 13 4.965 -5.863 -1.308 1.00 0.00 C ATOM 156 C LYS A 13 4.236 -5.493 -0.020 1.00 0.00 C ATOM 157 O LYS A 13 4.652 -4.585 0.701 1.00 0.00 O ATOM 158 CB LYS A 13 6.265 -6.599 -0.977 1.00 0.00 C ATOM 159 CG LYS A 13 6.759 -7.495 -2.100 1.00 0.00 C ATOM 160 CD LYS A 13 8.193 -7.942 -1.866 1.00 0.00 C ATOM 161 CE LYS A 13 8.538 -9.164 -2.704 1.00 0.00 C ATOM 162 NZ LYS A 13 10.007 -9.404 -2.754 1.00 0.00 N ATOM 0 H LYS A 13 5.876 -4.008 -1.662 1.00 0.00 H new ATOM 0 HA LYS A 13 4.322 -6.520 -1.894 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.037 -5.867 -0.741 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.113 -7.202 -0.082 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.113 -8.369 -2.180 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.693 -6.962 -3.048 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.874 -7.127 -2.111 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.337 -8.171 -0.810 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.040 -10.041 -2.290 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.157 -9.030 -3.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.202 -10.245 -3.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.480 -8.578 -3.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.367 -9.557 -1.790 1.00 0.00 H new ATOM 176 N ILE A 14 3.149 -6.203 0.264 1.00 0.00 N ATOM 177 CA ILE A 14 2.365 -5.950 1.467 1.00 0.00 C ATOM 178 C ILE A 14 2.779 -6.884 2.599 1.00 0.00 C ATOM 179 O ILE A 14 2.676 -8.105 2.480 1.00 0.00 O ATOM 180 CB ILE A 14 0.858 -6.119 1.202 1.00 0.00 C ATOM 181 CG1 ILE A 14 0.353 -5.012 0.274 1.00 0.00 C ATOM 182 CG2 ILE A 14 0.085 -6.111 2.513 1.00 0.00 C ATOM 183 CD1 ILE A 14 0.610 -5.288 -1.191 1.00 0.00 C ATOM 0 H ILE A 14 2.791 -6.957 -0.322 1.00 0.00 H new ATOM 0 HA ILE A 14 2.560 -4.919 1.760 1.00 0.00 H new ATOM 0 HB ILE A 14 0.696 -7.080 0.713 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.718 -4.880 0.428 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.833 -4.072 0.548 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.979 -6.231 2.309 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.429 -6.931 3.143 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.251 -5.164 3.027 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.226 -4.462 -1.790 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.682 -5.390 -1.359 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.107 -6.211 -1.481 1.00 0.00 H new ATOM 195 N LYS A 15 3.245 -6.302 3.698 1.00 0.00 N ATOM 196 CA LYS A 15 3.672 -7.081 4.855 1.00 0.00 C ATOM 197 C LYS A 15 2.931 -6.637 6.113 1.00 0.00 C ATOM 198 O LYS A 15 2.946 -5.459 6.470 1.00 0.00 O ATOM 199 CB LYS A 15 5.181 -6.938 5.063 1.00 0.00 C ATOM 200 CG LYS A 15 5.684 -7.590 6.339 1.00 0.00 C ATOM 201 CD LYS A 15 7.049 -7.055 6.739 1.00 0.00 C ATOM 202 CE LYS A 15 7.407 -7.450 8.163 1.00 0.00 C ATOM 203 NZ LYS A 15 6.481 -6.841 9.157 1.00 0.00 N ATOM 0 H LYS A 15 3.337 -5.293 3.813 1.00 0.00 H new ATOM 0 HA LYS A 15 3.435 -8.128 4.665 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.700 -7.378 4.211 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.438 -5.879 5.080 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.972 -7.411 7.145 1.00 0.00 H new ATOM 0 HG3 LYS A 15 5.742 -8.669 6.198 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.806 -7.436 6.053 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.056 -5.969 6.649 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.378 -8.536 8.257 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.429 -7.139 8.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.937 -6.825 10.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.251 -5.869 8.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.607 -7.403 9.207 1.00 0.00 H new ATOM 217 N CYS A 16 2.286 -7.588 6.779 1.00 0.00 N ATOM 218 CA CYS A 16 1.540 -7.295 7.998 1.00 0.00 C ATOM 219 C CYS A 16 2.484 -7.105 9.181 1.00 0.00 C ATOM 220 O CYS A 16 2.948 -8.075 9.779 1.00 0.00 O ATOM 221 CB CYS A 16 0.548 -8.420 8.297 1.00 0.00 C ATOM 222 SG CYS A 16 -0.927 -8.401 7.252 1.00 0.00 S ATOM 0 H CYS A 16 2.264 -8.568 6.496 1.00 0.00 H new ATOM 0 HA CYS A 16 0.990 -6.367 7.843 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.054 -9.378 8.175 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.242 -8.352 9.341 1.00 0.00 H new ATOM 0 HG CYS A 16 -1.964 -8.085 7.970 1.00 0.00 H new ATOM 340 N ILE A 24 4.299 -12.862 2.958 1.00 0.00 N ATOM 341 CA ILE A 24 4.214 -11.619 2.201 1.00 0.00 C ATOM 342 C ILE A 24 3.653 -11.864 0.804 1.00 0.00 C ATOM 343 O ILE A 24 3.947 -12.881 0.174 1.00 0.00 O ATOM 344 CB ILE A 24 5.590 -10.940 2.077 1.00 0.00 C ATOM 345 CG1 ILE A 24 6.282 -10.888 3.441 1.00 0.00 C ATOM 346 CG2 ILE A 24 5.441 -9.541 1.499 1.00 0.00 C ATOM 347 CD1 ILE A 24 7.773 -10.646 3.354 1.00 0.00 C ATOM 0 HA ILE A 24 3.541 -10.960 2.750 1.00 0.00 H new ATOM 0 HB ILE A 24 6.209 -11.528 1.399 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.828 -10.098 4.040 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.105 -11.827 3.965 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.423 -9.074 1.418 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.985 -9.602 0.511 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.808 -8.942 2.154 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.197 -10.621 4.358 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.239 -11.449 2.783 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.959 -9.693 2.858 1.00 0.00 H new ATOM 359 N LEU A 25 2.845 -10.925 0.324 1.00 0.00 N ATOM 360 CA LEU A 25 2.243 -11.037 -1.000 1.00 0.00 C ATOM 361 C LEU A 25 2.729 -9.917 -1.915 1.00 0.00 C ATOM 362 O LEU A 25 3.482 -9.041 -1.492 1.00 0.00 O ATOM 363 CB LEU A 25 0.718 -10.998 -0.894 1.00 0.00 C ATOM 364 CG LEU A 25 0.121 -11.550 0.402 1.00 0.00 C ATOM 365 CD1 LEU A 25 0.589 -12.978 0.639 1.00 0.00 C ATOM 366 CD2 LEU A 25 0.492 -10.662 1.580 1.00 0.00 C ATOM 0 H LEU A 25 2.592 -10.078 0.832 1.00 0.00 H new ATOM 0 HA LEU A 25 2.547 -11.991 -1.430 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.392 -9.964 -1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.301 -11.559 -1.730 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.965 -11.557 0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.155 -13.354 1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.272 -13.607 -0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.676 -12.997 0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.059 -11.070 2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.577 -10.623 1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.106 -9.656 1.413 1.00 0.00 H new ATOM 378 N GLU A 26 2.290 -9.953 -3.169 1.00 0.00 N ATOM 379 CA GLU A 26 2.680 -8.940 -4.143 1.00 0.00 C ATOM 380 C GLU A 26 1.482 -8.499 -4.979 1.00 0.00 C ATOM 381 O GLU A 26 0.843 -9.313 -5.647 1.00 0.00 O ATOM 382 CB GLU A 26 3.784 -9.477 -5.057 1.00 0.00 C ATOM 383 CG GLU A 26 4.725 -8.401 -5.572 1.00 0.00 C ATOM 384 CD GLU A 26 5.745 -8.940 -6.556 1.00 0.00 C ATOM 385 OE1 GLU A 26 5.353 -9.273 -7.694 1.00 0.00 O ATOM 386 OE2 GLU A 26 6.935 -9.029 -6.188 1.00 0.00 O ATOM 0 H GLU A 26 1.665 -10.672 -3.534 1.00 0.00 H new ATOM 0 HA GLU A 26 3.059 -8.075 -3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.363 -10.224 -4.514 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.326 -9.984 -5.906 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.143 -7.614 -6.052 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.244 -7.944 -4.730 1.00 0.00 H new ATOM 393 N LYS A 27 1.182 -7.206 -4.936 1.00 0.00 N ATOM 394 CA LYS A 27 0.061 -6.654 -5.689 1.00 0.00 C ATOM 395 C LYS A 27 0.481 -5.401 -6.450 1.00 0.00 C ATOM 396 O LYS A 27 1.359 -4.660 -6.006 1.00 0.00 O ATOM 397 CB LYS A 27 -1.100 -6.327 -4.748 1.00 0.00 C ATOM 398 CG LYS A 27 -2.345 -5.835 -5.466 1.00 0.00 C ATOM 399 CD LYS A 27 -3.250 -6.988 -5.867 1.00 0.00 C ATOM 400 CE LYS A 27 -4.637 -6.499 -6.253 1.00 0.00 C ATOM 401 NZ LYS A 27 -5.480 -6.222 -5.057 1.00 0.00 N ATOM 0 H LYS A 27 1.700 -6.519 -4.387 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.264 -7.404 -6.410 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.351 -7.217 -4.172 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.777 -5.567 -4.036 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.892 -5.150 -4.819 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.056 -5.273 -6.354 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.806 -7.526 -6.705 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.329 -7.694 -5.041 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.549 -5.593 -6.853 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.126 -7.248 -6.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.429 -6.624 -5.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.044 -6.654 -4.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.557 -5.194 -4.917 1.00 0.00 H new ATOM 415 N GLN A 28 -0.152 -5.170 -7.595 1.00 0.00 N ATOM 416 CA GLN A 28 0.157 -4.005 -8.416 1.00 0.00 C ATOM 417 C GLN A 28 -1.016 -3.030 -8.441 1.00 0.00 C ATOM 418 O GLN A 28 -2.132 -3.395 -8.810 1.00 0.00 O ATOM 419 CB GLN A 28 0.506 -4.437 -9.842 1.00 0.00 C ATOM 420 CG GLN A 28 1.928 -4.955 -9.990 1.00 0.00 C ATOM 421 CD GLN A 28 2.330 -5.149 -11.438 1.00 0.00 C ATOM 422 OE1 GLN A 28 2.063 -6.193 -12.034 1.00 0.00 O ATOM 423 NE2 GLN A 28 2.977 -4.142 -12.013 1.00 0.00 N ATOM 0 H GLN A 28 -0.881 -5.773 -7.975 1.00 0.00 H new ATOM 0 HA GLN A 28 1.017 -3.500 -7.976 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.190 -5.214 -10.158 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.365 -3.591 -10.514 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.617 -4.255 -9.516 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.022 -5.903 -9.460 1.00 0.00 H new ATOM 0 HE21 GLN A 28 3.177 -3.295 -11.482 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.273 -4.216 -12.986 1.00 0.00 H new ATOM 432 N LEU A 29 -0.755 -1.789 -8.045 1.00 0.00 N ATOM 433 CA LEU A 29 -1.789 -0.760 -8.021 1.00 0.00 C ATOM 434 C LEU A 29 -1.283 0.535 -8.648 1.00 0.00 C ATOM 435 O LEU A 29 -0.110 0.890 -8.537 1.00 0.00 O ATOM 436 CB LEU A 29 -2.245 -0.501 -6.584 1.00 0.00 C ATOM 437 CG LEU A 29 -2.555 -1.741 -5.744 1.00 0.00 C ATOM 438 CD1 LEU A 29 -3.598 -2.606 -6.435 1.00 0.00 C ATOM 439 CD2 LEU A 29 -1.286 -2.538 -5.482 1.00 0.00 C ATOM 0 H LEU A 29 0.164 -1.471 -7.736 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.637 -1.118 -8.605 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.470 0.073 -6.076 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.137 0.125 -6.614 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.960 -1.416 -4.786 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.806 -3.484 -5.823 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.515 -2.032 -6.570 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.221 -2.923 -7.408 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.525 -3.417 -4.883 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.852 -2.853 -6.431 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.570 -1.916 -4.944 1.00 0.00 H new ATOM 451 N PRO A 30 -2.189 1.260 -9.321 1.00 0.00 N ATOM 452 CA PRO A 30 -1.859 2.529 -9.976 1.00 0.00 C ATOM 453 C PRO A 30 -1.569 3.641 -8.974 1.00 0.00 C ATOM 454 O PRO A 30 -2.372 3.910 -8.081 1.00 0.00 O ATOM 455 CB PRO A 30 -3.120 2.851 -10.782 1.00 0.00 C ATOM 456 CG PRO A 30 -4.218 2.147 -10.064 1.00 0.00 C ATOM 457 CD PRO A 30 -3.606 0.898 -9.493 1.00 0.00 C ATOM 0 HA PRO A 30 -0.957 2.451 -10.583 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.299 3.925 -10.824 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.032 2.502 -11.811 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.633 2.774 -9.275 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.036 1.906 -10.743 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.068 0.621 -8.545 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.725 0.049 -10.166 1.00 0.00 H new ATOM 465 N ASP A 31 -0.417 4.284 -9.128 1.00 0.00 N ATOM 466 CA ASP A 31 -0.021 5.369 -8.236 1.00 0.00 C ATOM 467 C ASP A 31 -1.145 6.390 -8.091 1.00 0.00 C ATOM 468 O ASP A 31 -1.207 7.123 -7.104 1.00 0.00 O ATOM 469 CB ASP A 31 1.242 6.053 -8.760 1.00 0.00 C ATOM 470 CG ASP A 31 2.065 6.677 -7.651 1.00 0.00 C ATOM 471 OD1 ASP A 31 1.761 6.416 -6.468 1.00 0.00 O ATOM 472 OD2 ASP A 31 3.014 7.427 -7.965 1.00 0.00 O ATOM 0 H ASP A 31 0.259 4.073 -9.862 1.00 0.00 H new ATOM 0 HA ASP A 31 0.187 4.943 -7.255 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.851 5.324 -9.294 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.963 6.823 -9.479 1.00 0.00 H new ATOM 477 N SER A 32 -2.032 6.431 -9.080 1.00 0.00 N ATOM 478 CA SER A 32 -3.151 7.366 -9.065 1.00 0.00 C ATOM 479 C SER A 32 -4.136 7.016 -7.954 1.00 0.00 C ATOM 480 O SER A 32 -4.759 7.896 -7.361 1.00 0.00 O ATOM 481 CB SER A 32 -3.867 7.359 -10.417 1.00 0.00 C ATOM 482 OG SER A 32 -4.611 8.550 -10.606 1.00 0.00 O ATOM 0 H SER A 32 -1.998 5.828 -9.902 1.00 0.00 H new ATOM 0 HA SER A 32 -2.756 8.364 -8.876 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.136 7.252 -11.219 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.532 6.498 -10.475 1.00 0.00 H new ATOM 0 HG SER A 32 -5.058 8.522 -11.478 1.00 0.00 H new ATOM 488 N MET A 33 -4.271 5.723 -7.677 1.00 0.00 N ATOM 489 CA MET A 33 -5.179 5.255 -6.636 1.00 0.00 C ATOM 490 C MET A 33 -5.023 6.085 -5.366 1.00 0.00 C ATOM 491 O MET A 33 -3.943 6.603 -5.078 1.00 0.00 O ATOM 492 CB MET A 33 -4.921 3.778 -6.330 1.00 0.00 C ATOM 493 CG MET A 33 -6.081 3.091 -5.629 1.00 0.00 C ATOM 494 SD MET A 33 -5.585 1.577 -4.785 1.00 0.00 S ATOM 495 CE MET A 33 -6.790 0.420 -5.429 1.00 0.00 C ATOM 0 H MET A 33 -3.763 4.981 -8.159 1.00 0.00 H new ATOM 0 HA MET A 33 -6.200 5.369 -7.000 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.709 3.254 -7.262 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.030 3.695 -5.707 1.00 0.00 H new ATOM 0 HG2 MET A 33 -6.521 3.778 -4.906 1.00 0.00 H new ATOM 0 HG3 MET A 33 -6.855 2.858 -6.360 1.00 0.00 H new ATOM 0 HE1 MET A 33 -6.856 -0.443 -4.767 1.00 0.00 H new ATOM 0 HE2 MET A 33 -7.764 0.905 -5.490 1.00 0.00 H new ATOM 0 HE3 MET A 33 -6.485 0.092 -6.423 1.00 0.00 H new ATOM 505 N THR A 34 -6.108 6.208 -4.607 1.00 0.00 N ATOM 506 CA THR A 34 -6.092 6.975 -3.369 1.00 0.00 C ATOM 507 C THR A 34 -5.797 6.080 -2.171 1.00 0.00 C ATOM 508 O THR A 34 -6.364 4.995 -2.039 1.00 0.00 O ATOM 509 CB THR A 34 -7.432 7.697 -3.138 1.00 0.00 C ATOM 510 OG1 THR A 34 -8.520 6.790 -3.347 1.00 0.00 O ATOM 511 CG2 THR A 34 -7.573 8.890 -4.072 1.00 0.00 C ATOM 0 H THR A 34 -7.009 5.785 -4.829 1.00 0.00 H new ATOM 0 HA THR A 34 -5.300 7.717 -3.468 1.00 0.00 H new ATOM 0 HB THR A 34 -7.452 8.057 -2.109 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.368 7.257 -3.196 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.528 9.384 -3.890 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.760 9.593 -3.890 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.532 8.549 -5.106 1.00 0.00 H new ATOM 519 N VAL A 35 -4.906 6.541 -1.298 1.00 0.00 N ATOM 520 CA VAL A 35 -4.536 5.782 -0.109 1.00 0.00 C ATOM 521 C VAL A 35 -5.752 5.098 0.505 1.00 0.00 C ATOM 522 O VAL A 35 -5.664 3.969 0.986 1.00 0.00 O ATOM 523 CB VAL A 35 -3.878 6.685 0.951 1.00 0.00 C ATOM 524 CG1 VAL A 35 -3.916 6.019 2.318 1.00 0.00 C ATOM 525 CG2 VAL A 35 -2.449 7.020 0.551 1.00 0.00 C ATOM 0 H VAL A 35 -4.427 7.437 -1.392 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.818 5.025 -0.426 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.442 7.616 1.012 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.447 6.672 3.054 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.951 5.835 2.604 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.377 5.072 2.277 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.999 7.659 1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.871 6.100 0.461 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.452 7.542 -0.406 1.00 0.00 H new ATOM 535 N GLN A 36 -6.887 5.790 0.486 1.00 0.00 N ATOM 536 CA GLN A 36 -8.121 5.249 1.042 1.00 0.00 C ATOM 537 C GLN A 36 -8.473 3.916 0.390 1.00 0.00 C ATOM 538 O GLN A 36 -8.688 2.915 1.074 1.00 0.00 O ATOM 539 CB GLN A 36 -9.269 6.242 0.852 1.00 0.00 C ATOM 540 CG GLN A 36 -10.346 6.139 1.921 1.00 0.00 C ATOM 541 CD GLN A 36 -11.576 6.960 1.591 1.00 0.00 C ATOM 542 OE1 GLN A 36 -12.003 7.805 2.379 1.00 0.00 O ATOM 543 NE2 GLN A 36 -12.155 6.716 0.421 1.00 0.00 N ATOM 0 H GLN A 36 -6.977 6.726 0.092 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.967 5.082 2.108 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.866 7.255 0.851 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.722 6.078 -0.126 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.633 5.095 2.043 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.938 6.471 2.876 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.768 6.007 -0.202 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -12.987 7.238 0.145 1.00 0.00 H new ATOM 552 N LYS A 37 -8.532 3.909 -0.938 1.00 0.00 N ATOM 553 CA LYS A 37 -8.857 2.700 -1.684 1.00 0.00 C ATOM 554 C LYS A 37 -7.970 1.537 -1.249 1.00 0.00 C ATOM 555 O LYS A 37 -8.463 0.476 -0.866 1.00 0.00 O ATOM 556 CB LYS A 37 -8.697 2.944 -3.186 1.00 0.00 C ATOM 557 CG LYS A 37 -9.723 3.906 -3.759 1.00 0.00 C ATOM 558 CD LYS A 37 -10.987 3.181 -4.191 1.00 0.00 C ATOM 559 CE LYS A 37 -11.879 4.073 -5.040 1.00 0.00 C ATOM 560 NZ LYS A 37 -11.421 4.128 -6.456 1.00 0.00 N ATOM 0 H LYS A 37 -8.359 4.729 -1.520 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.895 2.441 -1.473 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.698 3.335 -3.377 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.772 1.991 -3.710 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.972 4.660 -3.013 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.294 4.431 -4.612 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.720 2.288 -4.756 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.536 2.849 -3.310 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.903 3.702 -5.004 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.889 5.080 -4.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.055 4.746 -7.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.453 4.505 -6.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.435 3.171 -6.863 1.00 0.00 H new ATOM 574 N VAL A 38 -6.659 1.745 -1.309 1.00 0.00 N ATOM 575 CA VAL A 38 -5.703 0.715 -0.919 1.00 0.00 C ATOM 576 C VAL A 38 -6.058 0.123 0.440 1.00 0.00 C ATOM 577 O VAL A 38 -5.868 -1.070 0.678 1.00 0.00 O ATOM 578 CB VAL A 38 -4.268 1.273 -0.865 1.00 0.00 C ATOM 579 CG1 VAL A 38 -3.288 0.185 -0.454 1.00 0.00 C ATOM 580 CG2 VAL A 38 -3.879 1.873 -2.208 1.00 0.00 C ATOM 0 H VAL A 38 -6.234 2.617 -1.624 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.752 -0.067 -1.677 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.232 2.064 -0.116 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.279 0.597 -0.421 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.557 -0.194 0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.324 -0.629 -1.178 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.862 2.262 -2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.931 1.104 -2.979 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.565 2.683 -2.457 1.00 0.00 H new ATOM 590 N LYS A 39 -6.574 0.964 1.329 1.00 0.00 N ATOM 591 CA LYS A 39 -6.958 0.524 2.666 1.00 0.00 C ATOM 592 C LYS A 39 -8.283 -0.230 2.630 1.00 0.00 C ATOM 593 O LYS A 39 -8.485 -1.185 3.380 1.00 0.00 O ATOM 594 CB LYS A 39 -7.068 1.725 3.608 1.00 0.00 C ATOM 595 CG LYS A 39 -5.729 2.362 3.939 1.00 0.00 C ATOM 596 CD LYS A 39 -5.906 3.694 4.650 1.00 0.00 C ATOM 597 CE LYS A 39 -4.582 4.224 5.179 1.00 0.00 C ATOM 598 NZ LYS A 39 -4.762 5.467 5.978 1.00 0.00 N ATOM 0 H LYS A 39 -6.736 1.955 1.148 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.186 -0.151 3.036 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.715 2.475 3.153 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.549 1.408 4.533 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.149 1.687 4.568 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.159 2.511 3.022 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.341 4.420 3.963 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.608 3.576 5.476 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.106 3.462 5.796 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.911 4.423 4.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.837 5.796 6.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.193 6.203 5.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.382 5.271 6.790 1.00 0.00 H new ATOM 612 N GLY A 40 -9.183 0.204 1.753 1.00 0.00 N ATOM 613 CA GLY A 40 -10.477 -0.444 1.636 1.00 0.00 C ATOM 614 C GLY A 40 -10.386 -1.807 0.980 1.00 0.00 C ATOM 615 O GLY A 40 -11.269 -2.648 1.153 1.00 0.00 O ATOM 0 H GLY A 40 -9.040 0.992 1.122 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.918 -0.550 2.627 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.147 0.191 1.056 1.00 0.00 H new ATOM 619 N LEU A 41 -9.316 -2.027 0.224 1.00 0.00 N ATOM 620 CA LEU A 41 -9.114 -3.299 -0.463 1.00 0.00 C ATOM 621 C LEU A 41 -8.719 -4.393 0.524 1.00 0.00 C ATOM 622 O LEU A 41 -9.188 -5.528 0.428 1.00 0.00 O ATOM 623 CB LEU A 41 -8.036 -3.154 -1.538 1.00 0.00 C ATOM 624 CG LEU A 41 -7.463 -4.458 -2.094 1.00 0.00 C ATOM 625 CD1 LEU A 41 -8.328 -4.980 -3.231 1.00 0.00 C ATOM 626 CD2 LEU A 41 -6.030 -4.253 -2.563 1.00 0.00 C ATOM 0 H LEU A 41 -8.576 -1.342 0.071 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.054 -3.583 -0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.452 -2.581 -2.367 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.216 -2.567 -1.125 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.461 -5.201 -1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.904 -5.908 -3.614 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.338 -5.166 -2.864 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.363 -4.240 -4.031 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.638 -5.191 -2.956 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.008 -3.495 -3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.416 -3.926 -1.724 1.00 0.00 H new ATOM 638 N LEU A 42 -7.857 -4.045 1.472 1.00 0.00 N ATOM 639 CA LEU A 42 -7.401 -4.997 2.479 1.00 0.00 C ATOM 640 C LEU A 42 -8.333 -5.001 3.687 1.00 0.00 C ATOM 641 O LEU A 42 -8.351 -5.953 4.467 1.00 0.00 O ATOM 642 CB LEU A 42 -5.976 -4.659 2.921 1.00 0.00 C ATOM 643 CG LEU A 42 -4.885 -4.842 1.866 1.00 0.00 C ATOM 644 CD1 LEU A 42 -3.700 -3.935 2.160 1.00 0.00 C ATOM 645 CD2 LEU A 42 -4.442 -6.297 1.803 1.00 0.00 C ATOM 0 H LEU A 42 -7.459 -3.110 1.565 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.410 -5.992 2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.958 -3.622 3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.728 -5.279 3.783 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.296 -4.566 0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.934 -4.079 1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.027 -2.895 2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.289 -4.180 3.139 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.665 -6.408 1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.050 -6.600 2.774 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.294 -6.926 1.544 1.00 0.00 H new ATOM 657 N SER A 43 -9.107 -3.930 3.834 1.00 0.00 N ATOM 658 CA SER A 43 -10.041 -3.809 4.947 1.00 0.00 C ATOM 659 C SER A 43 -11.001 -4.994 4.982 1.00 0.00 C ATOM 660 O SER A 43 -11.489 -5.381 6.045 1.00 0.00 O ATOM 661 CB SER A 43 -10.828 -2.502 4.840 1.00 0.00 C ATOM 662 OG SER A 43 -11.992 -2.540 5.648 1.00 0.00 O ATOM 0 H SER A 43 -9.105 -3.134 3.196 1.00 0.00 H new ATOM 0 HA SER A 43 -9.466 -3.803 5.873 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.197 -1.668 5.145 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.108 -2.326 3.801 1.00 0.00 H new ATOM 0 HG SER A 43 -11.735 -2.658 6.586 1.00 0.00 H new ATOM 668 N ARG A 44 -11.268 -5.565 3.813 1.00 0.00 N ATOM 669 CA ARG A 44 -12.171 -6.705 3.708 1.00 0.00 C ATOM 670 C ARG A 44 -11.409 -8.018 3.860 1.00 0.00 C ATOM 671 O ARG A 44 -12.004 -9.068 4.110 1.00 0.00 O ATOM 672 CB ARG A 44 -12.904 -6.681 2.365 1.00 0.00 C ATOM 673 CG ARG A 44 -13.942 -5.576 2.257 1.00 0.00 C ATOM 674 CD ARG A 44 -15.203 -5.919 3.035 1.00 0.00 C ATOM 675 NE ARG A 44 -16.241 -4.905 2.869 1.00 0.00 N ATOM 676 CZ ARG A 44 -17.329 -4.836 3.627 1.00 0.00 C ATOM 677 NH1 ARG A 44 -17.521 -5.718 4.599 1.00 0.00 N ATOM 678 NH2 ARG A 44 -18.229 -3.884 3.414 1.00 0.00 N ATOM 0 H ARG A 44 -10.872 -5.257 2.925 1.00 0.00 H new ATOM 0 HA ARG A 44 -12.901 -6.633 4.514 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -12.174 -6.562 1.564 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.392 -7.643 2.210 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -13.523 -4.643 2.634 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -14.193 -5.412 1.209 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -15.583 -6.885 2.702 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -14.960 -6.020 4.093 1.00 0.00 H new ATOM 0 HE ARG A 44 -16.124 -4.212 2.130 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -16.832 -6.451 4.766 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -18.358 -5.663 5.180 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -18.085 -3.204 2.667 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -19.064 -3.832 3.997 1.00 0.00 H new ATOM 692 N LEU A 45 -10.091 -7.952 3.708 1.00 0.00 N ATOM 693 CA LEU A 45 -9.247 -9.136 3.828 1.00 0.00 C ATOM 694 C LEU A 45 -8.964 -9.456 5.292 1.00 0.00 C ATOM 695 O LEU A 45 -9.373 -10.501 5.801 1.00 0.00 O ATOM 696 CB LEU A 45 -7.932 -8.927 3.076 1.00 0.00 C ATOM 697 CG LEU A 45 -7.958 -9.238 1.579 1.00 0.00 C ATOM 698 CD1 LEU A 45 -6.667 -8.783 0.917 1.00 0.00 C ATOM 699 CD2 LEU A 45 -8.184 -10.725 1.347 1.00 0.00 C ATOM 0 H LEU A 45 -9.584 -7.092 3.501 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.780 -9.979 3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.623 -7.890 3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.167 -9.548 3.542 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.786 -8.691 1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.704 -9.013 -0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.548 -7.708 1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.823 -9.302 1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.200 -10.928 0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.378 -11.292 1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.137 -11.021 1.786 1.00 0.00 H new ATOM 711 N LEU A 46 -8.263 -8.551 5.965 1.00 0.00 N ATOM 712 CA LEU A 46 -7.926 -8.735 7.373 1.00 0.00 C ATOM 713 C LEU A 46 -9.094 -8.335 8.269 1.00 0.00 C ATOM 714 O LEU A 46 -8.979 -8.338 9.495 1.00 0.00 O ATOM 715 CB LEU A 46 -6.687 -7.913 7.733 1.00 0.00 C ATOM 716 CG LEU A 46 -5.390 -8.309 7.026 1.00 0.00 C ATOM 717 CD1 LEU A 46 -4.377 -7.177 7.094 1.00 0.00 C ATOM 718 CD2 LEU A 46 -4.816 -9.579 7.637 1.00 0.00 C ATOM 0 H LEU A 46 -7.916 -7.682 5.559 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.713 -9.792 7.535 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.893 -6.866 7.511 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.528 -7.985 8.809 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.615 -8.504 5.978 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.461 -7.478 6.586 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.788 -6.292 6.609 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.155 -6.949 8.137 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.893 -9.846 7.122 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.606 -9.412 8.693 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.537 -10.390 7.534 1.00 0.00 H new ATOM 730 N LYS A 47 -10.218 -7.992 7.649 1.00 0.00 N ATOM 731 CA LYS A 47 -11.409 -7.593 8.389 1.00 0.00 C ATOM 732 C LYS A 47 -11.112 -6.404 9.298 1.00 0.00 C ATOM 733 O LYS A 47 -11.590 -6.341 10.431 1.00 0.00 O ATOM 734 CB LYS A 47 -11.935 -8.765 9.220 1.00 0.00 C ATOM 735 CG LYS A 47 -11.839 -10.105 8.512 1.00 0.00 C ATOM 736 CD LYS A 47 -12.556 -10.080 7.172 1.00 0.00 C ATOM 737 CE LYS A 47 -14.057 -10.260 7.340 1.00 0.00 C ATOM 738 NZ LYS A 47 -14.820 -9.605 6.242 1.00 0.00 N ATOM 0 H LYS A 47 -10.329 -7.982 6.635 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.171 -7.296 7.669 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.376 -8.817 10.154 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.976 -8.576 9.481 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.791 -10.363 8.360 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.271 -10.882 9.142 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.356 -9.134 6.669 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.163 -10.871 6.533 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.295 -11.323 7.363 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.368 -9.843 8.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.839 -9.750 6.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.613 -8.586 6.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.542 -10.021 5.330 1.00 0.00 H new ATOM 752 N VAL A 48 -10.320 -5.463 8.794 1.00 0.00 N ATOM 753 CA VAL A 48 -9.961 -4.275 9.559 1.00 0.00 C ATOM 754 C VAL A 48 -10.523 -3.014 8.912 1.00 0.00 C ATOM 755 O VAL A 48 -10.475 -2.837 7.695 1.00 0.00 O ATOM 756 CB VAL A 48 -8.433 -4.134 9.693 1.00 0.00 C ATOM 757 CG1 VAL A 48 -8.083 -2.975 10.614 1.00 0.00 C ATOM 758 CG2 VAL A 48 -7.821 -5.431 10.198 1.00 0.00 C ATOM 0 H VAL A 48 -9.915 -5.501 7.859 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.395 -4.394 10.552 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.017 -3.922 8.708 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.999 -2.890 10.697 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.489 -2.050 10.205 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.510 -3.153 11.601 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.741 -5.313 10.287 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.241 -5.676 11.174 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.042 -6.235 9.496 1.00 0.00 H new ATOM 768 N PRO A 49 -11.069 -2.115 9.745 1.00 0.00 N ATOM 769 CA PRO A 49 -11.649 -0.853 9.276 1.00 0.00 C ATOM 770 C PRO A 49 -10.591 0.118 8.764 1.00 0.00 C ATOM 771 O PRO A 49 -9.570 0.340 9.416 1.00 0.00 O ATOM 772 CB PRO A 49 -12.331 -0.291 10.526 1.00 0.00 C ATOM 773 CG PRO A 49 -11.587 -0.894 11.667 1.00 0.00 C ATOM 774 CD PRO A 49 -11.160 -2.260 11.207 1.00 0.00 C ATOM 0 HA PRO A 49 -12.326 -1.003 8.435 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.278 0.797 10.550 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.387 -0.560 10.556 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.724 -0.285 11.935 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -12.218 -0.960 12.553 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.204 -2.550 11.642 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.884 -3.024 11.491 1.00 0.00 H new ATOM 782 N VAL A 50 -10.840 0.695 7.593 1.00 0.00 N ATOM 783 CA VAL A 50 -9.909 1.643 6.994 1.00 0.00 C ATOM 784 C VAL A 50 -9.471 2.696 8.006 1.00 0.00 C ATOM 785 O VAL A 50 -8.426 3.327 7.847 1.00 0.00 O ATOM 786 CB VAL A 50 -10.532 2.348 5.774 1.00 0.00 C ATOM 787 CG1 VAL A 50 -9.730 3.586 5.405 1.00 0.00 C ATOM 788 CG2 VAL A 50 -10.623 1.390 4.596 1.00 0.00 C ATOM 0 H VAL A 50 -11.679 0.522 7.040 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.040 1.071 6.669 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.542 2.664 6.035 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.185 4.070 4.541 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.722 4.278 6.247 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.707 3.298 5.162 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.065 1.904 3.742 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.624 1.042 4.332 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.245 0.537 4.868 1.00 0.00 H new ATOM 798 N SER A 51 -10.276 2.880 9.047 1.00 0.00 N ATOM 799 CA SER A 51 -9.973 3.859 10.085 1.00 0.00 C ATOM 800 C SER A 51 -8.837 3.370 10.978 1.00 0.00 C ATOM 801 O SER A 51 -7.990 4.153 11.407 1.00 0.00 O ATOM 802 CB SER A 51 -11.217 4.139 10.930 1.00 0.00 C ATOM 803 OG SER A 51 -11.973 5.207 10.386 1.00 0.00 O ATOM 0 H SER A 51 -11.143 2.364 9.194 1.00 0.00 H new ATOM 0 HA SER A 51 -9.658 4.782 9.599 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.834 3.242 10.983 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.920 4.382 11.950 1.00 0.00 H new ATOM 0 HG SER A 51 -12.764 5.365 10.943 1.00 0.00 H new ATOM 809 N GLU A 52 -8.826 2.070 11.253 1.00 0.00 N ATOM 810 CA GLU A 52 -7.795 1.476 12.096 1.00 0.00 C ATOM 811 C GLU A 52 -6.614 0.997 11.256 1.00 0.00 C ATOM 812 O GLU A 52 -5.603 0.539 11.789 1.00 0.00 O ATOM 813 CB GLU A 52 -8.371 0.307 12.898 1.00 0.00 C ATOM 814 CG GLU A 52 -9.497 0.709 13.836 1.00 0.00 C ATOM 815 CD GLU A 52 -9.020 1.578 14.983 1.00 0.00 C ATOM 816 OE1 GLU A 52 -7.887 1.358 15.461 1.00 0.00 O ATOM 817 OE2 GLU A 52 -9.778 2.476 15.404 1.00 0.00 O ATOM 0 H GLU A 52 -9.519 1.408 10.904 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.441 2.242 12.786 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.739 -0.451 12.206 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.572 -0.153 13.479 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.260 1.245 13.272 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.968 -0.188 14.237 1.00 0.00 H new ATOM 824 N LEU A 53 -6.751 1.106 9.939 1.00 0.00 N ATOM 825 CA LEU A 53 -5.696 0.685 9.023 1.00 0.00 C ATOM 826 C LEU A 53 -4.698 1.813 8.785 1.00 0.00 C ATOM 827 O LEU A 53 -5.046 2.858 8.232 1.00 0.00 O ATOM 828 CB LEU A 53 -6.300 0.234 7.692 1.00 0.00 C ATOM 829 CG LEU A 53 -6.762 -1.223 7.624 1.00 0.00 C ATOM 830 CD1 LEU A 53 -7.699 -1.431 6.444 1.00 0.00 C ATOM 831 CD2 LEU A 53 -5.566 -2.158 7.528 1.00 0.00 C ATOM 0 H LEU A 53 -7.582 1.482 9.482 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.167 -0.152 9.478 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.152 0.875 7.467 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.562 0.397 6.907 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.306 -1.455 8.540 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.017 -2.473 6.411 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.572 -0.788 6.555 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.180 -1.181 5.519 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.914 -3.190 7.481 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.994 -1.926 6.630 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.932 -2.029 8.405 1.00 0.00 H new ATOM 843 N LEU A 54 -3.457 1.596 9.205 1.00 0.00 N ATOM 844 CA LEU A 54 -2.406 2.594 9.035 1.00 0.00 C ATOM 845 C LEU A 54 -1.332 2.096 8.074 1.00 0.00 C ATOM 846 O LEU A 54 -0.485 1.280 8.441 1.00 0.00 O ATOM 847 CB LEU A 54 -1.778 2.937 10.387 1.00 0.00 C ATOM 848 CG LEU A 54 -2.747 3.378 11.485 1.00 0.00 C ATOM 849 CD1 LEU A 54 -2.117 3.198 12.857 1.00 0.00 C ATOM 850 CD2 LEU A 54 -3.168 4.825 11.275 1.00 0.00 C ATOM 0 H LEU A 54 -3.153 0.738 9.666 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.857 3.492 8.612 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.230 2.064 10.743 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.047 3.731 10.235 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.637 2.750 11.431 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.821 3.517 13.625 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.867 2.148 13.008 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.211 3.800 12.923 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.857 5.122 12.065 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.288 5.467 11.301 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.661 4.924 10.308 1.00 0.00 H new ATOM 862 N LEU A 55 -1.370 2.594 6.843 1.00 0.00 N ATOM 863 CA LEU A 55 -0.397 2.201 5.829 1.00 0.00 C ATOM 864 C LEU A 55 0.852 3.074 5.906 1.00 0.00 C ATOM 865 O LEU A 55 0.762 4.291 6.061 1.00 0.00 O ATOM 866 CB LEU A 55 -1.018 2.301 4.434 1.00 0.00 C ATOM 867 CG LEU A 55 -1.620 1.011 3.874 1.00 0.00 C ATOM 868 CD1 LEU A 55 -2.513 0.346 4.910 1.00 0.00 C ATOM 869 CD2 LEU A 55 -2.400 1.297 2.599 1.00 0.00 C ATOM 0 H LEU A 55 -2.063 3.270 6.523 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.107 1.167 6.019 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.798 3.062 4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.253 2.652 3.742 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.807 0.327 3.633 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.933 -0.570 4.494 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.926 0.107 5.797 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.321 1.024 5.183 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.821 0.368 2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.205 1.999 2.815 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.733 1.729 1.853 1.00 0.00 H new ATOM 881 N SER A 56 2.016 2.442 5.793 1.00 0.00 N ATOM 882 CA SER A 56 3.284 3.160 5.851 1.00 0.00 C ATOM 883 C SER A 56 4.275 2.596 4.837 1.00 0.00 C ATOM 884 O SER A 56 4.660 1.429 4.913 1.00 0.00 O ATOM 885 CB SER A 56 3.876 3.080 7.259 1.00 0.00 C ATOM 886 OG SER A 56 3.680 1.794 7.822 1.00 0.00 O ATOM 0 H SER A 56 2.107 1.435 5.661 1.00 0.00 H new ATOM 0 HA SER A 56 3.093 4.204 5.604 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.942 3.306 7.222 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.412 3.834 7.895 1.00 0.00 H new ATOM 0 HG SER A 56 4.252 1.692 8.611 1.00 0.00 H new ATOM 892 N TYR A 57 4.683 3.432 3.890 1.00 0.00 N ATOM 893 CA TYR A 57 5.627 3.018 2.859 1.00 0.00 C ATOM 894 C TYR A 57 7.053 3.405 3.239 1.00 0.00 C ATOM 895 O TYR A 57 7.316 4.543 3.625 1.00 0.00 O ATOM 896 CB TYR A 57 5.256 3.648 1.515 1.00 0.00 C ATOM 897 CG TYR A 57 5.914 4.987 1.272 1.00 0.00 C ATOM 898 CD1 TYR A 57 5.369 6.155 1.790 1.00 0.00 C ATOM 899 CD2 TYR A 57 7.081 5.085 0.524 1.00 0.00 C ATOM 900 CE1 TYR A 57 5.966 7.381 1.570 1.00 0.00 C ATOM 901 CE2 TYR A 57 7.686 6.306 0.300 1.00 0.00 C ATOM 902 CZ TYR A 57 7.125 7.452 0.825 1.00 0.00 C ATOM 903 OH TYR A 57 7.723 8.671 0.603 1.00 0.00 O ATOM 0 H TYR A 57 4.375 4.401 3.815 1.00 0.00 H new ATOM 0 HA TYR A 57 5.576 1.933 2.770 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.536 2.964 0.713 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.174 3.770 1.467 1.00 0.00 H new ATOM 0 HD1 TYR A 57 4.463 6.104 2.375 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.523 4.190 0.110 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.528 8.279 1.979 1.00 0.00 H new ATOM 0 HE2 TYR A 57 8.593 6.364 -0.283 1.00 0.00 H new ATOM 0 HH TYR A 57 7.037 9.340 0.397 1.00 0.00 H new ATOM 913 N GLU A 58 7.969 2.448 3.124 1.00 0.00 N ATOM 914 CA GLU A 58 9.369 2.689 3.455 1.00 0.00 C ATOM 915 C GLU A 58 10.165 3.070 2.211 1.00 0.00 C ATOM 916 O GLU A 58 10.260 2.294 1.260 1.00 0.00 O ATOM 917 CB GLU A 58 9.982 1.447 4.106 1.00 0.00 C ATOM 918 CG GLU A 58 11.333 1.703 4.752 1.00 0.00 C ATOM 919 CD GLU A 58 11.998 0.430 5.240 1.00 0.00 C ATOM 920 OE1 GLU A 58 11.592 -0.081 6.304 1.00 0.00 O ATOM 921 OE2 GLU A 58 12.923 -0.055 4.555 1.00 0.00 O ATOM 0 H GLU A 58 7.767 1.500 2.805 1.00 0.00 H new ATOM 0 HA GLU A 58 9.412 3.519 4.160 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.294 1.066 4.861 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.091 0.668 3.352 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.987 2.198 4.034 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.206 2.387 5.591 1.00 0.00 H new ATOM 928 N SER A 59 10.734 4.271 2.225 1.00 0.00 N ATOM 929 CA SER A 59 11.518 4.758 1.096 1.00 0.00 C ATOM 930 C SER A 59 12.887 4.086 1.055 1.00 0.00 C ATOM 931 O SER A 59 13.579 3.999 2.070 1.00 0.00 O ATOM 932 CB SER A 59 11.685 6.277 1.182 1.00 0.00 C ATOM 933 OG SER A 59 10.630 6.944 0.511 1.00 0.00 O ATOM 0 H SER A 59 10.667 4.925 3.005 1.00 0.00 H new ATOM 0 HA SER A 59 10.983 4.509 0.179 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.708 6.585 2.227 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.640 6.567 0.743 1.00 0.00 H new ATOM 0 HG SER A 59 9.772 6.678 0.904 1.00 0.00 H new ATOM 939 N SER A 60 13.272 3.612 -0.126 1.00 0.00 N ATOM 940 CA SER A 60 14.556 2.944 -0.300 1.00 0.00 C ATOM 941 C SER A 60 15.710 3.918 -0.078 1.00 0.00 C ATOM 942 O SER A 60 16.646 3.631 0.667 1.00 0.00 O ATOM 943 CB SER A 60 14.651 2.333 -1.699 1.00 0.00 C ATOM 944 OG SER A 60 15.884 1.657 -1.877 1.00 0.00 O ATOM 0 H SER A 60 12.713 3.678 -0.976 1.00 0.00 H new ATOM 0 HA SER A 60 14.627 2.149 0.442 1.00 0.00 H new ATOM 0 HB2 SER A 60 13.826 1.638 -1.852 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.551 3.117 -2.449 1.00 0.00 H new ATOM 0 HG SER A 60 15.920 1.274 -2.778 1.00 0.00 H new ATOM 950 N LYS A 61 15.634 5.072 -0.732 1.00 0.00 N ATOM 951 CA LYS A 61 16.670 6.091 -0.608 1.00 0.00 C ATOM 952 C LYS A 61 17.028 6.328 0.856 1.00 0.00 C ATOM 953 O LYS A 61 18.192 6.536 1.194 1.00 0.00 O ATOM 954 CB LYS A 61 16.204 7.401 -1.247 1.00 0.00 C ATOM 955 CG LYS A 61 14.932 7.960 -0.633 1.00 0.00 C ATOM 956 CD LYS A 61 14.672 9.385 -1.091 1.00 0.00 C ATOM 957 CE LYS A 61 13.599 10.055 -0.246 1.00 0.00 C ATOM 958 NZ LYS A 61 13.781 11.531 -0.186 1.00 0.00 N ATOM 0 H LYS A 61 14.866 5.325 -1.353 1.00 0.00 H new ATOM 0 HA LYS A 61 17.559 5.735 -1.129 1.00 0.00 H new ATOM 0 HB2 LYS A 61 16.998 8.142 -1.155 1.00 0.00 H new ATOM 0 HB3 LYS A 61 16.042 7.238 -2.312 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.087 7.329 -0.907 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.010 7.935 0.454 1.00 0.00 H new ATOM 0 HD2 LYS A 61 15.595 9.961 -1.032 1.00 0.00 H new ATOM 0 HD3 LYS A 61 14.364 9.382 -2.137 1.00 0.00 H new ATOM 0 HE2 LYS A 61 12.616 9.827 -0.659 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.623 9.645 0.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 13.030 11.950 0.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 14.708 11.750 0.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 13.732 11.926 -1.147 1.00 0.00 H new ATOM 972 N MET A 62 16.019 6.292 1.721 1.00 0.00 N ATOM 973 CA MET A 62 16.229 6.499 3.149 1.00 0.00 C ATOM 974 C MET A 62 15.810 5.267 3.945 1.00 0.00 C ATOM 975 O MET A 62 14.704 5.192 4.481 1.00 0.00 O ATOM 976 CB MET A 62 15.445 7.722 3.629 1.00 0.00 C ATOM 977 CG MET A 62 16.095 8.439 4.801 1.00 0.00 C ATOM 978 SD MET A 62 17.672 9.196 4.363 1.00 0.00 S ATOM 979 CE MET A 62 18.338 9.555 5.987 1.00 0.00 C ATOM 0 H MET A 62 15.048 6.121 1.458 1.00 0.00 H new ATOM 0 HA MET A 62 17.293 6.671 3.313 1.00 0.00 H new ATOM 0 HB2 MET A 62 15.336 8.422 2.800 1.00 0.00 H new ATOM 0 HB3 MET A 62 14.441 7.410 3.916 1.00 0.00 H new ATOM 0 HG2 MET A 62 15.418 9.208 5.172 1.00 0.00 H new ATOM 0 HG3 MET A 62 16.250 7.731 5.615 1.00 0.00 H new ATOM 0 HE1 MET A 62 19.315 10.028 5.883 1.00 0.00 H new ATOM 0 HE2 MET A 62 17.664 10.228 6.516 1.00 0.00 H new ATOM 0 HE3 MET A 62 18.441 8.628 6.551 1.00 0.00 H new ATOM 989 N PRO A 63 16.712 4.277 4.024 1.00 0.00 N ATOM 990 CA PRO A 63 16.457 3.031 4.752 1.00 0.00 C ATOM 991 C PRO A 63 16.410 3.241 6.262 1.00 0.00 C ATOM 992 O PRO A 63 17.207 3.996 6.818 1.00 0.00 O ATOM 993 CB PRO A 63 17.649 2.148 4.372 1.00 0.00 C ATOM 994 CG PRO A 63 18.733 3.107 4.019 1.00 0.00 C ATOM 995 CD PRO A 63 18.049 4.299 3.408 1.00 0.00 C ATOM 0 HA PRO A 63 15.490 2.599 4.495 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.944 1.504 5.200 1.00 0.00 H new ATOM 0 HB3 PRO A 63 17.407 1.497 3.532 1.00 0.00 H new ATOM 0 HG2 PRO A 63 19.303 3.395 4.903 1.00 0.00 H new ATOM 0 HG3 PRO A 63 19.437 2.659 3.318 1.00 0.00 H new ATOM 0 HD2 PRO A 63 18.579 5.225 3.631 1.00 0.00 H new ATOM 0 HD3 PRO A 63 17.993 4.218 2.322 1.00 0.00 H new ATOM 1003 N GLY A 64 15.472 2.567 6.920 1.00 0.00 N ATOM 1004 CA GLY A 64 15.339 2.694 8.360 1.00 0.00 C ATOM 1005 C GLY A 64 14.415 3.827 8.759 1.00 0.00 C ATOM 1006 O GLY A 64 14.581 4.427 9.821 1.00 0.00 O ATOM 0 H GLY A 64 14.802 1.935 6.482 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.960 1.758 8.771 1.00 0.00 H new ATOM 0 HA3 GLY A 64 16.323 2.860 8.799 1.00 0.00 H new ATOM 1010 N ARG A 65 13.439 4.120 7.907 1.00 0.00 N ATOM 1011 CA ARG A 65 12.486 5.191 8.175 1.00 0.00 C ATOM 1012 C ARG A 65 11.238 5.037 7.311 1.00 0.00 C ATOM 1013 O ARG A 65 11.311 5.096 6.084 1.00 0.00 O ATOM 1014 CB ARG A 65 13.132 6.554 7.920 1.00 0.00 C ATOM 1015 CG ARG A 65 12.518 7.681 8.734 1.00 0.00 C ATOM 1016 CD ARG A 65 12.905 9.043 8.180 1.00 0.00 C ATOM 1017 NE ARG A 65 12.909 10.074 9.215 1.00 0.00 N ATOM 1018 CZ ARG A 65 13.790 10.115 10.208 1.00 0.00 C ATOM 1019 NH1 ARG A 65 14.734 9.188 10.300 1.00 0.00 N ATOM 1020 NH2 ARG A 65 13.729 11.085 11.111 1.00 0.00 N ATOM 0 H ARG A 65 13.287 3.631 7.025 1.00 0.00 H new ATOM 0 HA ARG A 65 12.192 5.127 9.223 1.00 0.00 H new ATOM 0 HB2 ARG A 65 14.196 6.491 8.148 1.00 0.00 H new ATOM 0 HB3 ARG A 65 13.047 6.794 6.860 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.433 7.582 8.734 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.845 7.602 9.771 1.00 0.00 H new ATOM 0 HD2 ARG A 65 13.894 8.982 7.725 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.208 9.325 7.391 1.00 0.00 H new ATOM 0 HE ARG A 65 12.196 10.802 9.173 1.00 0.00 H new ATOM 0 HH11 ARG A 65 14.785 8.441 9.607 1.00 0.00 H new ATOM 0 HH12 ARG A 65 15.409 9.222 11.064 1.00 0.00 H new ATOM 0 HH21 ARG A 65 13.005 11.800 11.043 1.00 0.00 H new ATOM 0 HH22 ARG A 65 14.406 11.116 11.873 1.00 0.00 H new ATOM 1034 N GLU A 66 10.095 4.841 7.960 1.00 0.00 N ATOM 1035 CA GLU A 66 8.832 4.678 7.250 1.00 0.00 C ATOM 1036 C GLU A 66 7.982 5.941 7.353 1.00 0.00 C ATOM 1037 O GLU A 66 8.089 6.696 8.320 1.00 0.00 O ATOM 1038 CB GLU A 66 8.057 3.482 7.808 1.00 0.00 C ATOM 1039 CG GLU A 66 7.520 3.707 9.212 1.00 0.00 C ATOM 1040 CD GLU A 66 7.035 2.426 9.863 1.00 0.00 C ATOM 1041 OE1 GLU A 66 7.852 1.495 10.022 1.00 0.00 O ATOM 1042 OE2 GLU A 66 5.839 2.356 10.213 1.00 0.00 O ATOM 0 H GLU A 66 10.018 4.791 8.976 1.00 0.00 H new ATOM 0 HA GLU A 66 9.058 4.497 6.199 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.225 3.256 7.141 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.708 2.608 7.813 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.301 4.151 9.829 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.700 4.424 9.173 1.00 0.00 H new ATOM 1049 N ILE A 67 7.140 6.165 6.350 1.00 0.00 N ATOM 1050 CA ILE A 67 6.272 7.336 6.329 1.00 0.00 C ATOM 1051 C ILE A 67 4.821 6.949 6.595 1.00 0.00 C ATOM 1052 O ILE A 67 4.186 6.284 5.777 1.00 0.00 O ATOM 1053 CB ILE A 67 6.356 8.074 4.979 1.00 0.00 C ATOM 1054 CG1 ILE A 67 7.767 8.622 4.760 1.00 0.00 C ATOM 1055 CG2 ILE A 67 5.330 9.196 4.925 1.00 0.00 C ATOM 1056 CD1 ILE A 67 8.705 7.632 4.107 1.00 0.00 C ATOM 0 H ILE A 67 7.040 5.551 5.541 1.00 0.00 H new ATOM 0 HA ILE A 67 6.619 8.001 7.120 1.00 0.00 H new ATOM 0 HB ILE A 67 6.134 7.367 4.180 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.708 9.517 4.141 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.183 8.925 5.721 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.401 9.708 3.966 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.329 8.780 5.041 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.523 9.905 5.730 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.687 8.089 3.983 1.00 0.00 H new ATOM 0 HD12 ILE A 67 8.794 6.746 4.735 1.00 0.00 H new ATOM 0 HD13 ILE A 67 8.311 7.347 3.131 1.00 0.00 H new ATOM 1068 N GLU A 68 4.302 7.374 7.743 1.00 0.00 N ATOM 1069 CA GLU A 68 2.925 7.073 8.116 1.00 0.00 C ATOM 1070 C GLU A 68 1.945 7.917 7.306 1.00 0.00 C ATOM 1071 O GLU A 68 1.873 9.135 7.472 1.00 0.00 O ATOM 1072 CB GLU A 68 2.713 7.318 9.611 1.00 0.00 C ATOM 1073 CG GLU A 68 3.042 8.736 10.048 1.00 0.00 C ATOM 1074 CD GLU A 68 3.057 8.893 11.556 1.00 0.00 C ATOM 1075 OE1 GLU A 68 2.032 8.579 12.196 1.00 0.00 O ATOM 1076 OE2 GLU A 68 4.096 9.330 12.096 1.00 0.00 O ATOM 0 H GLU A 68 4.814 7.927 8.430 1.00 0.00 H new ATOM 0 HA GLU A 68 2.738 6.022 7.898 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.675 7.101 9.863 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.331 6.620 10.176 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.015 9.019 9.647 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.310 9.422 9.622 1.00 0.00 H new ATOM 1083 N LEU A 69 1.193 7.261 6.429 1.00 0.00 N ATOM 1084 CA LEU A 69 0.217 7.951 5.592 1.00 0.00 C ATOM 1085 C LEU A 69 -1.012 8.348 6.404 1.00 0.00 C ATOM 1086 O LEU A 69 -1.826 7.501 6.770 1.00 0.00 O ATOM 1087 CB LEU A 69 -0.198 7.060 4.420 1.00 0.00 C ATOM 1088 CG LEU A 69 0.939 6.379 3.658 1.00 0.00 C ATOM 1089 CD1 LEU A 69 0.407 5.226 2.822 1.00 0.00 C ATOM 1090 CD2 LEU A 69 1.670 7.384 2.780 1.00 0.00 C ATOM 0 H LEU A 69 1.240 6.253 6.279 1.00 0.00 H new ATOM 0 HA LEU A 69 0.682 8.858 5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.869 6.288 4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.770 7.664 3.715 1.00 0.00 H new ATOM 0 HG LEU A 69 1.647 5.978 4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.231 4.754 2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.070 4.494 3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.322 5.603 2.105 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.476 6.881 2.245 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.972 7.816 2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.086 8.176 3.403 1.00 0.00 H new ATOM 1102 N GLU A 70 -1.140 9.643 6.679 1.00 0.00 N ATOM 1103 CA GLU A 70 -2.271 10.152 7.446 1.00 0.00 C ATOM 1104 C GLU A 70 -3.429 10.524 6.525 1.00 0.00 C ATOM 1105 O GLU A 70 -4.595 10.416 6.902 1.00 0.00 O ATOM 1106 CB GLU A 70 -1.849 11.369 8.271 1.00 0.00 C ATOM 1107 CG GLU A 70 -0.496 11.210 8.943 1.00 0.00 C ATOM 1108 CD GLU A 70 -0.338 12.105 10.157 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -0.890 13.226 10.142 1.00 0.00 O ATOM 1110 OE2 GLU A 70 0.337 11.686 11.120 1.00 0.00 O ATOM 0 H GLU A 70 -0.475 10.357 6.382 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.605 9.363 8.120 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.823 12.245 7.623 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.604 11.560 9.034 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.364 10.171 9.243 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.291 11.437 8.224 1.00 0.00 H new ATOM 1117 N ASN A 71 -3.098 10.964 5.315 1.00 0.00 N ATOM 1118 CA ASN A 71 -4.109 11.354 4.340 1.00 0.00 C ATOM 1119 C ASN A 71 -4.606 10.142 3.557 1.00 0.00 C ATOM 1120 O ASN A 71 -3.845 9.216 3.279 1.00 0.00 O ATOM 1121 CB ASN A 71 -3.543 12.400 3.377 1.00 0.00 C ATOM 1122 CG ASN A 71 -4.628 13.254 2.748 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -5.632 12.739 2.256 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -4.429 14.567 2.762 1.00 0.00 N ATOM 0 H ASN A 71 -2.137 11.059 4.987 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.951 11.786 4.881 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.844 13.042 3.912 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.978 11.899 2.591 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.124 15.192 2.354 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.581 14.950 3.181 1.00 0.00 H new ATOM 1131 N ASP A 72 -5.887 10.157 3.206 1.00 0.00 N ATOM 1132 CA ASP A 72 -6.486 9.060 2.454 1.00 0.00 C ATOM 1133 C ASP A 72 -6.900 9.520 1.059 1.00 0.00 C ATOM 1134 O ASP A 72 -6.622 8.849 0.065 1.00 0.00 O ATOM 1135 CB ASP A 72 -7.699 8.504 3.202 1.00 0.00 C ATOM 1136 CG ASP A 72 -7.408 8.247 4.667 1.00 0.00 C ATOM 1137 OD1 ASP A 72 -6.667 9.049 5.273 1.00 0.00 O ATOM 1138 OD2 ASP A 72 -7.919 7.244 5.207 1.00 0.00 O ATOM 0 H ASP A 72 -6.531 10.916 3.430 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.740 8.272 2.351 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.528 9.207 3.117 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -8.019 7.575 2.730 1.00 0.00 H new ATOM 1143 N LEU A 73 -7.568 10.667 0.994 1.00 0.00 N ATOM 1144 CA LEU A 73 -8.022 11.217 -0.279 1.00 0.00 C ATOM 1145 C LEU A 73 -6.841 11.497 -1.203 1.00 0.00 C ATOM 1146 O LEU A 73 -7.015 11.693 -2.405 1.00 0.00 O ATOM 1147 CB LEU A 73 -8.819 12.501 -0.047 1.00 0.00 C ATOM 1148 CG LEU A 73 -9.535 12.613 1.300 1.00 0.00 C ATOM 1149 CD1 LEU A 73 -10.053 11.253 1.743 1.00 0.00 C ATOM 1150 CD2 LEU A 73 -8.605 13.200 2.351 1.00 0.00 C ATOM 0 H LEU A 73 -7.807 11.234 1.808 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.666 10.479 -0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.141 13.349 -0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.562 12.592 -0.839 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.387 13.283 1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.560 11.352 2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.754 10.871 1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.217 10.560 1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.131 13.272 3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.733 12.556 2.466 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.283 14.193 2.038 1.00 0.00 H new ATOM 1162 N GLN A 74 -5.640 11.513 -0.632 1.00 0.00 N ATOM 1163 CA GLN A 74 -4.431 11.768 -1.406 1.00 0.00 C ATOM 1164 C GLN A 74 -3.918 10.486 -2.052 1.00 0.00 C ATOM 1165 O GLN A 74 -3.911 9.415 -1.445 1.00 0.00 O ATOM 1166 CB GLN A 74 -3.347 12.372 -0.512 1.00 0.00 C ATOM 1167 CG GLN A 74 -3.724 13.723 0.074 1.00 0.00 C ATOM 1168 CD GLN A 74 -3.401 14.874 -0.858 1.00 0.00 C ATOM 1169 OE1 GLN A 74 -3.534 14.758 -2.076 1.00 0.00 O ATOM 1170 NE2 GLN A 74 -2.975 15.996 -0.288 1.00 0.00 N ATOM 0 H GLN A 74 -5.479 11.353 0.362 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.678 12.477 -2.196 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.132 11.680 0.302 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.429 12.480 -1.090 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.790 13.732 0.300 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -3.197 13.865 1.017 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.879 16.048 0.726 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.744 16.805 -0.865 1.00 0.00 H new ATOM 1179 N PRO A 75 -3.477 10.594 -3.314 1.00 0.00 N ATOM 1180 CA PRO A 75 -2.953 9.453 -4.071 1.00 0.00 C ATOM 1181 C PRO A 75 -1.607 8.972 -3.538 1.00 0.00 C ATOM 1182 O PRO A 75 -1.006 9.612 -2.674 1.00 0.00 O ATOM 1183 CB PRO A 75 -2.800 10.007 -5.489 1.00 0.00 C ATOM 1184 CG PRO A 75 -2.632 11.476 -5.305 1.00 0.00 C ATOM 1185 CD PRO A 75 -3.455 11.839 -4.100 1.00 0.00 C ATOM 0 HA PRO A 75 -3.610 8.586 -4.007 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.939 9.570 -5.994 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.675 9.782 -6.099 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.584 11.733 -5.153 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.969 12.021 -6.187 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.007 12.660 -3.540 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.460 12.155 -4.380 1.00 0.00 H new ATOM 1193 N LEU A 76 -1.140 7.843 -4.058 1.00 0.00 N ATOM 1194 CA LEU A 76 0.137 7.277 -3.635 1.00 0.00 C ATOM 1195 C LEU A 76 1.302 8.112 -4.155 1.00 0.00 C ATOM 1196 O LEU A 76 2.318 8.265 -3.478 1.00 0.00 O ATOM 1197 CB LEU A 76 0.267 5.835 -4.129 1.00 0.00 C ATOM 1198 CG LEU A 76 -0.568 4.792 -3.386 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -0.135 4.700 -1.931 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -2.050 5.127 -3.482 1.00 0.00 C ATOM 0 H LEU A 76 -1.626 7.301 -4.773 1.00 0.00 H new ATOM 0 HA LEU A 76 0.167 7.285 -2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.008 5.807 -5.183 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.315 5.544 -4.066 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.404 3.822 -3.856 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.740 3.953 -1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.915 4.413 -1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.269 5.669 -1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.629 4.374 -2.947 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.231 6.106 -3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.353 5.141 -4.529 1.00 0.00 H new ATOM 1212 N GLN A 77 1.146 8.652 -5.359 1.00 0.00 N ATOM 1213 CA GLN A 77 2.185 9.473 -5.969 1.00 0.00 C ATOM 1214 C GLN A 77 2.467 10.710 -5.122 1.00 0.00 C ATOM 1215 O GLN A 77 3.558 11.279 -5.180 1.00 0.00 O ATOM 1216 CB GLN A 77 1.772 9.890 -7.381 1.00 0.00 C ATOM 1217 CG GLN A 77 0.605 10.864 -7.411 1.00 0.00 C ATOM 1218 CD GLN A 77 0.143 11.178 -8.821 1.00 0.00 C ATOM 1219 OE1 GLN A 77 0.415 10.426 -9.757 1.00 0.00 O ATOM 1220 NE2 GLN A 77 -0.559 12.294 -8.979 1.00 0.00 N ATOM 0 H GLN A 77 0.310 8.536 -5.932 1.00 0.00 H new ATOM 0 HA GLN A 77 3.097 8.878 -6.026 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.627 10.345 -7.881 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.506 9.000 -7.951 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -0.227 10.446 -6.845 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.896 11.789 -6.914 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.761 12.888 -8.175 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.896 12.558 -9.905 1.00 0.00 H new ATOM 1229 N PHE A 78 1.478 11.122 -4.337 1.00 0.00 N ATOM 1230 CA PHE A 78 1.619 12.293 -3.480 1.00 0.00 C ATOM 1231 C PHE A 78 2.648 12.041 -2.381 1.00 0.00 C ATOM 1232 O PHE A 78 3.364 12.953 -1.965 1.00 0.00 O ATOM 1233 CB PHE A 78 0.271 12.661 -2.857 1.00 0.00 C ATOM 1234 CG PHE A 78 0.354 13.793 -1.872 1.00 0.00 C ATOM 1235 CD1 PHE A 78 0.509 15.099 -2.309 1.00 0.00 C ATOM 1236 CD2 PHE A 78 0.278 13.550 -0.510 1.00 0.00 C ATOM 1237 CE1 PHE A 78 0.587 16.141 -1.405 1.00 0.00 C ATOM 1238 CE2 PHE A 78 0.355 14.589 0.399 1.00 0.00 C ATOM 1239 CZ PHE A 78 0.508 15.886 -0.049 1.00 0.00 C ATOM 0 H PHE A 78 0.570 10.662 -4.276 1.00 0.00 H new ATOM 0 HA PHE A 78 1.966 13.123 -4.095 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.425 12.931 -3.651 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.140 11.784 -2.357 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.569 15.304 -3.368 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.157 12.537 -0.154 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.710 17.154 -1.758 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.296 14.386 1.458 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.566 16.700 0.659 1.00 0.00 H new ATOM 1249 N TYR A 79 2.714 10.799 -1.914 1.00 0.00 N ATOM 1250 CA TYR A 79 3.652 10.427 -0.862 1.00 0.00 C ATOM 1251 C TYR A 79 5.007 10.046 -1.450 1.00 0.00 C ATOM 1252 O TYR A 79 5.866 9.502 -0.756 1.00 0.00 O ATOM 1253 CB TYR A 79 3.094 9.264 -0.041 1.00 0.00 C ATOM 1254 CG TYR A 79 1.996 9.669 0.916 1.00 0.00 C ATOM 1255 CD1 TYR A 79 2.295 10.140 2.189 1.00 0.00 C ATOM 1256 CD2 TYR A 79 0.659 9.583 0.547 1.00 0.00 C ATOM 1257 CE1 TYR A 79 1.294 10.511 3.066 1.00 0.00 C ATOM 1258 CE2 TYR A 79 -0.348 9.953 1.417 1.00 0.00 C ATOM 1259 CZ TYR A 79 -0.025 10.416 2.676 1.00 0.00 C ATOM 1260 OH TYR A 79 -1.024 10.786 3.547 1.00 0.00 O ATOM 0 H TYR A 79 2.129 10.033 -2.248 1.00 0.00 H new ATOM 0 HA TYR A 79 3.789 11.290 -0.210 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.710 8.503 -0.720 1.00 0.00 H new ATOM 0 HB3 TYR A 79 3.906 8.807 0.524 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.327 10.217 2.498 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.403 9.220 -0.438 1.00 0.00 H new ATOM 0 HE1 TYR A 79 1.543 10.874 4.052 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.382 9.880 1.114 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.914 11.729 3.790 1.00 0.00 H new ATOM 1270 N SER A 80 5.191 10.337 -2.733 1.00 0.00 N ATOM 1271 CA SER A 80 6.440 10.023 -3.417 1.00 0.00 C ATOM 1272 C SER A 80 6.680 8.517 -3.444 1.00 0.00 C ATOM 1273 O SER A 80 7.812 8.054 -3.297 1.00 0.00 O ATOM 1274 CB SER A 80 7.613 10.726 -2.731 1.00 0.00 C ATOM 1275 OG SER A 80 7.740 12.063 -3.181 1.00 0.00 O ATOM 0 H SER A 80 4.491 10.790 -3.320 1.00 0.00 H new ATOM 0 HA SER A 80 6.363 10.380 -4.444 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.466 10.715 -1.651 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.536 10.182 -2.933 1.00 0.00 H new ATOM 0 HG SER A 80 8.495 12.491 -2.726 1.00 0.00 H new ATOM 1281 N VAL A 81 5.607 7.756 -3.633 1.00 0.00 N ATOM 1282 CA VAL A 81 5.699 6.301 -3.680 1.00 0.00 C ATOM 1283 C VAL A 81 6.022 5.817 -5.089 1.00 0.00 C ATOM 1284 O VAL A 81 5.298 6.115 -6.039 1.00 0.00 O ATOM 1285 CB VAL A 81 4.391 5.640 -3.209 1.00 0.00 C ATOM 1286 CG1 VAL A 81 4.470 4.129 -3.363 1.00 0.00 C ATOM 1287 CG2 VAL A 81 4.091 6.022 -1.767 1.00 0.00 C ATOM 0 H VAL A 81 4.663 8.123 -3.756 1.00 0.00 H new ATOM 0 HA VAL A 81 6.505 6.013 -3.006 1.00 0.00 H new ATOM 0 HB VAL A 81 3.575 6.002 -3.835 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.536 3.680 -3.025 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.635 3.878 -4.411 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.295 3.745 -2.764 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.163 5.546 -1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.907 5.689 -1.125 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.988 7.104 -1.691 1.00 0.00 H new ATOM 1297 N GLU A 82 7.113 5.068 -5.217 1.00 0.00 N ATOM 1298 CA GLU A 82 7.531 4.543 -6.511 1.00 0.00 C ATOM 1299 C GLU A 82 7.678 3.024 -6.460 1.00 0.00 C ATOM 1300 O GLU A 82 7.869 2.444 -5.393 1.00 0.00 O ATOM 1301 CB GLU A 82 8.854 5.179 -6.942 1.00 0.00 C ATOM 1302 CG GLU A 82 9.983 4.969 -5.947 1.00 0.00 C ATOM 1303 CD GLU A 82 11.341 5.323 -6.522 1.00 0.00 C ATOM 1304 OE1 GLU A 82 11.552 6.507 -6.860 1.00 0.00 O ATOM 1305 OE2 GLU A 82 12.192 4.416 -6.634 1.00 0.00 O ATOM 0 H GLU A 82 7.723 4.812 -4.441 1.00 0.00 H new ATOM 0 HA GLU A 82 6.761 4.793 -7.241 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.149 4.765 -7.906 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.703 6.249 -7.087 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.799 5.576 -5.061 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.989 3.928 -5.625 1.00 0.00 H new ATOM 1312 N ASN A 83 7.585 2.388 -7.623 1.00 0.00 N ATOM 1313 CA ASN A 83 7.706 0.937 -7.712 1.00 0.00 C ATOM 1314 C ASN A 83 8.971 0.453 -7.010 1.00 0.00 C ATOM 1315 O ASN A 83 10.033 1.061 -7.132 1.00 0.00 O ATOM 1316 CB ASN A 83 7.720 0.494 -9.177 1.00 0.00 C ATOM 1317 CG ASN A 83 9.084 0.661 -9.818 1.00 0.00 C ATOM 1318 OD1 ASN A 83 9.861 -0.290 -9.906 1.00 0.00 O ATOM 1319 ND2 ASN A 83 9.382 1.874 -10.268 1.00 0.00 N ATOM 0 H ASN A 83 7.426 2.854 -8.516 1.00 0.00 H new ATOM 0 HA ASN A 83 6.843 0.494 -7.214 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.417 -0.551 -9.241 1.00 0.00 H new ATOM 0 HB3 ASN A 83 6.985 1.073 -9.736 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.286 2.047 -10.708 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.707 2.633 -10.174 1.00 0.00 H new ATOM 1326 N GLY A 84 8.849 -0.648 -6.275 1.00 0.00 N ATOM 1327 CA GLY A 84 9.989 -1.197 -5.565 1.00 0.00 C ATOM 1328 C GLY A 84 9.893 -0.990 -4.066 1.00 0.00 C ATOM 1329 O GLY A 84 10.509 -1.722 -3.291 1.00 0.00 O ATOM 0 H GLY A 84 7.980 -1.170 -6.159 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.066 -2.263 -5.777 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.902 -0.731 -5.935 1.00 0.00 H new ATOM 1333 N ASP A 85 9.121 0.010 -3.657 1.00 0.00 N ATOM 1334 CA ASP A 85 8.947 0.312 -2.241 1.00 0.00 C ATOM 1335 C ASP A 85 8.244 -0.836 -1.523 1.00 0.00 C ATOM 1336 O ASP A 85 7.845 -1.820 -2.147 1.00 0.00 O ATOM 1337 CB ASP A 85 8.148 1.604 -2.067 1.00 0.00 C ATOM 1338 CG ASP A 85 8.953 2.836 -2.431 1.00 0.00 C ATOM 1339 OD1 ASP A 85 10.107 2.948 -1.968 1.00 0.00 O ATOM 1340 OD2 ASP A 85 8.429 3.689 -3.178 1.00 0.00 O ATOM 0 H ASP A 85 8.605 0.626 -4.286 1.00 0.00 H new ATOM 0 HA ASP A 85 9.935 0.443 -1.799 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.254 1.561 -2.689 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.814 1.685 -1.033 1.00 0.00 H new ATOM 1345 N CYS A 86 8.096 -0.704 -0.210 1.00 0.00 N ATOM 1346 CA CYS A 86 7.443 -1.731 0.594 1.00 0.00 C ATOM 1347 C CYS A 86 6.263 -1.149 1.365 1.00 0.00 C ATOM 1348 O CYS A 86 6.411 -0.178 2.108 1.00 0.00 O ATOM 1349 CB CYS A 86 8.442 -2.360 1.566 1.00 0.00 C ATOM 1350 SG CYS A 86 9.543 -3.578 0.807 1.00 0.00 S ATOM 0 H CYS A 86 8.419 0.105 0.321 1.00 0.00 H new ATOM 0 HA CYS A 86 7.069 -2.502 -0.080 1.00 0.00 H new ATOM 0 HB2 CYS A 86 9.045 -1.569 2.013 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.892 -2.838 2.377 1.00 0.00 H new ATOM 0 HG CYS A 86 10.352 -4.052 1.707 1.00 0.00 H new ATOM 1356 N LEU A 87 5.091 -1.747 1.182 1.00 0.00 N ATOM 1357 CA LEU A 87 3.883 -1.287 1.859 1.00 0.00 C ATOM 1358 C LEU A 87 3.702 -2.002 3.194 1.00 0.00 C ATOM 1359 O LEU A 87 3.528 -3.221 3.240 1.00 0.00 O ATOM 1360 CB LEU A 87 2.658 -1.519 0.973 1.00 0.00 C ATOM 1361 CG LEU A 87 2.528 -0.604 -0.245 1.00 0.00 C ATOM 1362 CD1 LEU A 87 1.203 -0.843 -0.953 1.00 0.00 C ATOM 1363 CD2 LEU A 87 2.659 0.855 0.167 1.00 0.00 C ATOM 0 H LEU A 87 4.951 -2.551 0.571 1.00 0.00 H new ATOM 0 HA LEU A 87 3.988 -0.219 2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.676 -2.552 0.626 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.764 -1.404 1.586 1.00 0.00 H new ATOM 0 HG LEU A 87 3.335 -0.838 -0.939 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.128 -0.183 -1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.149 -1.880 -1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.381 -0.637 -0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.564 1.491 -0.713 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.874 1.103 0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.633 1.017 0.628 1.00 0.00 H new ATOM 1375 N LEU A 88 3.742 -1.237 4.279 1.00 0.00 N ATOM 1376 CA LEU A 88 3.580 -1.796 5.617 1.00 0.00 C ATOM 1377 C LEU A 88 2.146 -1.624 6.109 1.00 0.00 C ATOM 1378 O LEU A 88 1.693 -0.506 6.356 1.00 0.00 O ATOM 1379 CB LEU A 88 4.549 -1.127 6.592 1.00 0.00 C ATOM 1380 CG LEU A 88 6.011 -1.065 6.148 1.00 0.00 C ATOM 1381 CD1 LEU A 88 6.733 0.079 6.845 1.00 0.00 C ATOM 1382 CD2 LEU A 88 6.710 -2.388 6.428 1.00 0.00 C ATOM 0 H LEU A 88 3.885 -0.227 4.259 1.00 0.00 H new ATOM 0 HA LEU A 88 3.803 -2.862 5.568 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.203 -0.110 6.777 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.501 -1.658 7.543 1.00 0.00 H new ATOM 0 HG LEU A 88 6.037 -0.883 5.074 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.772 0.107 6.517 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.247 1.022 6.594 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.698 -0.072 7.924 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.749 -2.326 6.106 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.674 -2.600 7.497 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.208 -3.187 5.882 1.00 0.00 H new ATOM 1394 N VAL A 89 1.437 -2.739 6.251 1.00 0.00 N ATOM 1395 CA VAL A 89 0.055 -2.713 6.717 1.00 0.00 C ATOM 1396 C VAL A 89 -0.021 -2.944 8.222 1.00 0.00 C ATOM 1397 O VAL A 89 -0.019 -4.085 8.685 1.00 0.00 O ATOM 1398 CB VAL A 89 -0.799 -3.775 6.001 1.00 0.00 C ATOM 1399 CG1 VAL A 89 -2.254 -3.672 6.435 1.00 0.00 C ATOM 1400 CG2 VAL A 89 -0.673 -3.631 4.492 1.00 0.00 C ATOM 0 H VAL A 89 1.797 -3.672 6.050 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.340 -1.724 6.484 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.430 -4.762 6.281 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.842 -4.430 5.919 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.325 -3.829 7.511 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.639 -2.683 6.186 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.283 -4.390 4.002 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.015 -2.641 4.191 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.369 -3.759 4.200 1.00 0.00 H new ATOM 1410 N ARG A 90 -0.090 -1.855 8.980 1.00 0.00 N ATOM 1411 CA ARG A 90 -0.167 -1.939 10.433 1.00 0.00 C ATOM 1412 C ARG A 90 -1.467 -1.326 10.945 1.00 0.00 C ATOM 1413 O ARG A 90 -1.911 -0.288 10.454 1.00 0.00 O ATOM 1414 CB ARG A 90 1.030 -1.230 11.070 1.00 0.00 C ATOM 1415 CG ARG A 90 1.129 -1.434 12.573 1.00 0.00 C ATOM 1416 CD ARG A 90 0.307 -0.404 13.331 1.00 0.00 C ATOM 1417 NE ARG A 90 0.835 -0.160 14.671 1.00 0.00 N ATOM 1418 CZ ARG A 90 1.912 0.579 14.912 1.00 0.00 C ATOM 1419 NH1 ARG A 90 2.571 1.144 13.910 1.00 0.00 N ATOM 1420 NH2 ARG A 90 2.331 0.755 16.159 1.00 0.00 N ATOM 0 H ARG A 90 -0.094 -0.904 8.612 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.148 -2.992 10.713 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.946 -1.590 10.602 1.00 0.00 H new ATOM 0 HB3 ARG A 90 0.963 -0.162 10.860 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.784 -2.436 12.829 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.172 -1.368 12.882 1.00 0.00 H new ATOM 0 HD2 ARG A 90 0.293 0.531 12.771 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -0.725 -0.747 13.405 1.00 0.00 H new ATOM 0 HE ARG A 90 0.350 -0.580 15.464 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.251 1.012 12.950 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.398 1.711 14.099 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.826 0.323 16.933 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.158 1.323 16.344 1.00 0.00 H new ATOM 1434 N TRP A 91 -2.072 -1.975 11.934 1.00 0.00 N ATOM 1435 CA TRP A 91 -3.321 -1.494 12.512 1.00 0.00 C ATOM 1436 C TRP A 91 -3.355 -1.739 14.016 1.00 0.00 C ATOM 1437 O TRP A 91 -2.847 -2.750 14.501 1.00 0.00 O ATOM 1438 CB TRP A 91 -4.514 -2.181 11.844 1.00 0.00 C ATOM 1439 CG TRP A 91 -4.638 -3.632 12.197 1.00 0.00 C ATOM 1440 CD1 TRP A 91 -5.413 -4.172 13.183 1.00 0.00 C ATOM 1441 CD2 TRP A 91 -3.965 -4.728 11.568 1.00 0.00 C ATOM 1442 NE1 TRP A 91 -5.262 -5.537 13.205 1.00 0.00 N ATOM 1443 CE2 TRP A 91 -4.380 -5.903 12.223 1.00 0.00 C ATOM 1444 CE3 TRP A 91 -3.054 -4.831 10.513 1.00 0.00 C ATOM 1445 CZ2 TRP A 91 -3.914 -7.163 11.858 1.00 0.00 C ATOM 1446 CZ3 TRP A 91 -2.592 -6.082 10.152 1.00 0.00 C ATOM 1447 CH2 TRP A 91 -3.022 -7.235 10.822 1.00 0.00 C ATOM 0 H TRP A 91 -1.718 -2.835 12.352 1.00 0.00 H new ATOM 0 HA TRP A 91 -3.384 -0.420 12.336 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.430 -1.665 12.133 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -4.421 -2.084 10.762 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -6.051 -3.609 13.848 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -5.731 -6.175 13.848 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -2.717 -3.948 9.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -4.245 -8.052 12.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -1.887 -6.173 9.339 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -2.643 -8.199 10.515 1.00 0.00 H new