USER MOD reduce.3.24.130724 H: found=0, std=0, add=891, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 892 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 37 ASN : amide:sc= 0.124 K(o=0.23,f=-0.72) USER MOD Set 1.2: A 106 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -158:sc= 2.36 (180deg=1.89) USER MOD Single : A 2 LYS NZ :NH3+ -146:sc= 1.12 (180deg=-0.974!) USER MOD Single : A 3 THR OG1 : rot 76:sc= 0.342 USER MOD Single : A 4 THR OG1 : rot 180:sc= -1.93! USER MOD Single : A 10 GLN :FLIP amide:sc= -0.12 F(o=-0.76,f=-0.12) USER MOD Single : A 14 HIS : no HD1:sc= -0.0554 X(o=-0.055,f=-0.21) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot -18:sc= 0.554 USER MOD Single : A 30 THR OG1 : rot -150:sc= 1.09 USER MOD Single : A 32 THR OG1 : rot -59:sc= 0.571 USER MOD Single : A 43 HIS : no HE2:sc= 0.0728 K(o=0.073,f=-6.1!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.44 X(o=-0.44,f=-0.014) USER MOD Single : A 74 GLN :FLIP amide:sc= -0.0629 F(o=-1.4!,f=-0.063) USER MOD Single : A 82 TYR OH : rot 73:sc= -1.58! USER MOD Single : A 83 HIS : no HE2:sc= 0.988 K(o=0.99,f=-4.7!) USER MOD Single : A 84 SER OG : rot -140:sc= 0 USER MOD Single : A 85 HIS : +bothHN:sc= 2.32 K(o=2.3,f=-9.1!) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0.18 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -39:sc= -0.0163 USER MOD Single : A 107 TYR OH : rot 109:sc= 0.936 USER MOD Single : A 111 SER OG : rot -111:sc= 0.945 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 133 HIS : no HD1:sc= -0.595 X(o=-0.59,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.581 -7.212 4.671 1.00 0.00 N ATOM 2 CA MET A 1 -8.201 -6.559 3.493 1.00 0.00 C ATOM 3 C MET A 1 -8.267 -7.541 2.331 1.00 0.00 C ATOM 4 O MET A 1 -7.686 -8.624 2.406 1.00 0.00 O ATOM 5 CB MET A 1 -7.411 -5.309 3.084 1.00 0.00 C ATOM 6 CG MET A 1 -6.065 -5.595 2.430 1.00 0.00 C ATOM 7 SD MET A 1 -4.918 -6.467 3.520 1.00 0.00 S ATOM 8 CE MET A 1 -3.464 -6.539 2.481 1.00 0.00 C ATOM 0 H1 MET A 1 -7.863 -6.708 5.536 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.899 -8.201 4.727 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.546 -7.186 4.577 1.00 0.00 H new ATOM 0 HA MET A 1 -9.212 -6.252 3.760 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.017 -4.721 2.395 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.247 -4.693 3.968 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.224 -6.189 1.530 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.614 -4.654 2.115 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.662 -7.050 3.013 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.697 -7.083 1.566 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.146 -5.527 2.230 1.00 0.00 H new ATOM 20 N LYS A 2 -8.960 -7.165 1.258 1.00 0.00 N ATOM 21 CA LYS A 2 -9.126 -8.054 0.112 1.00 0.00 C ATOM 22 C LYS A 2 -8.105 -7.744 -0.976 1.00 0.00 C ATOM 23 O LYS A 2 -8.064 -6.633 -1.507 1.00 0.00 O ATOM 24 CB LYS A 2 -10.540 -7.951 -0.475 1.00 0.00 C ATOM 25 CG LYS A 2 -11.534 -8.940 0.113 1.00 0.00 C ATOM 26 CD LYS A 2 -12.116 -8.470 1.440 1.00 0.00 C ATOM 27 CE LYS A 2 -13.148 -9.463 1.954 1.00 0.00 C ATOM 28 NZ LYS A 2 -13.716 -9.079 3.277 1.00 0.00 N ATOM 0 H LYS A 2 -9.413 -6.256 1.159 1.00 0.00 H new ATOM 0 HA LYS A 2 -8.967 -9.070 0.472 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.914 -6.940 -0.316 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.486 -8.105 -1.553 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.344 -9.100 -0.598 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.041 -9.902 0.257 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.318 -8.355 2.173 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.577 -7.490 1.314 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.957 -9.547 1.228 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.688 -10.448 2.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.919 -9.936 3.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -13.031 -8.490 3.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.596 -8.543 3.135 1.00 0.00 H new ATOM 42 N THR A 3 -7.272 -8.721 -1.283 1.00 0.00 N ATOM 43 CA THR A 3 -6.308 -8.600 -2.365 1.00 0.00 C ATOM 44 C THR A 3 -5.852 -9.993 -2.799 1.00 0.00 C ATOM 45 O THR A 3 -6.205 -10.989 -2.165 1.00 0.00 O ATOM 46 CB THR A 3 -5.096 -7.722 -1.966 1.00 0.00 C ATOM 47 OG1 THR A 3 -4.319 -7.393 -3.124 1.00 0.00 O ATOM 48 CG2 THR A 3 -4.209 -8.423 -0.946 1.00 0.00 C ATOM 0 H THR A 3 -7.243 -9.616 -0.794 1.00 0.00 H new ATOM 0 HA THR A 3 -6.796 -8.101 -3.202 1.00 0.00 H new ATOM 0 HB THR A 3 -5.487 -6.811 -1.514 1.00 0.00 H new ATOM 0 HG1 THR A 3 -4.780 -6.699 -3.641 1.00 0.00 H new ATOM 0 HG21 THR A 3 -3.369 -7.777 -0.690 1.00 0.00 H new ATOM 0 HG22 THR A 3 -4.788 -8.639 -0.048 1.00 0.00 H new ATOM 0 HG23 THR A 3 -3.834 -9.355 -1.369 1.00 0.00 H new ATOM 56 N THR A 4 -5.079 -10.071 -3.867 1.00 0.00 N ATOM 57 CA THR A 4 -4.605 -11.352 -4.356 1.00 0.00 C ATOM 58 C THR A 4 -3.224 -11.670 -3.786 1.00 0.00 C ATOM 59 O THR A 4 -2.428 -10.764 -3.528 1.00 0.00 O ATOM 60 CB THR A 4 -4.550 -11.384 -5.895 1.00 0.00 C ATOM 61 OG1 THR A 4 -3.794 -10.268 -6.381 1.00 0.00 O ATOM 62 CG2 THR A 4 -5.954 -11.358 -6.490 1.00 0.00 C ATOM 0 H THR A 4 -4.767 -9.266 -4.410 1.00 0.00 H new ATOM 0 HA THR A 4 -5.315 -12.109 -4.022 1.00 0.00 H new ATOM 0 HB THR A 4 -4.064 -12.310 -6.201 1.00 0.00 H new ATOM 0 HG1 THR A 4 -3.762 -10.296 -7.360 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.889 -11.381 -7.578 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.513 -12.226 -6.141 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.465 -10.448 -6.177 1.00 0.00 H new ATOM 70 N PRO A 5 -2.928 -12.964 -3.573 1.00 0.00 N ATOM 71 CA PRO A 5 -1.624 -13.413 -3.067 1.00 0.00 C ATOM 72 C PRO A 5 -0.488 -13.002 -3.995 1.00 0.00 C ATOM 73 O PRO A 5 0.658 -12.841 -3.572 1.00 0.00 O ATOM 74 CB PRO A 5 -1.752 -14.940 -3.024 1.00 0.00 C ATOM 75 CG PRO A 5 -2.915 -15.264 -3.895 1.00 0.00 C ATOM 76 CD PRO A 5 -3.843 -14.091 -3.800 1.00 0.00 C ATOM 0 HA PRO A 5 -1.388 -12.973 -2.098 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.844 -15.421 -3.387 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.914 -15.292 -2.005 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -2.597 -15.428 -4.925 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -3.407 -16.179 -3.564 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -4.425 -13.961 -4.713 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.555 -14.204 -2.982 1.00 0.00 H new ATOM 84 N ASP A 6 -0.831 -12.828 -5.262 1.00 0.00 N ATOM 85 CA ASP A 6 0.116 -12.370 -6.270 1.00 0.00 C ATOM 86 C ASP A 6 0.633 -10.976 -5.923 1.00 0.00 C ATOM 87 O ASP A 6 1.827 -10.704 -6.029 1.00 0.00 O ATOM 88 CB ASP A 6 -0.542 -12.363 -7.646 1.00 0.00 C ATOM 89 CG ASP A 6 0.385 -11.848 -8.726 1.00 0.00 C ATOM 90 OD1 ASP A 6 1.382 -12.530 -9.035 1.00 0.00 O ATOM 91 OD2 ASP A 6 0.106 -10.772 -9.288 1.00 0.00 O ATOM 0 H ASP A 6 -1.770 -12.999 -5.621 1.00 0.00 H new ATOM 0 HA ASP A 6 0.962 -13.057 -6.289 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -0.862 -13.374 -7.898 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -1.438 -11.743 -7.614 1.00 0.00 H new ATOM 96 N ILE A 7 -0.273 -10.106 -5.484 1.00 0.00 N ATOM 97 CA ILE A 7 0.099 -8.762 -5.056 1.00 0.00 C ATOM 98 C ILE A 7 1.046 -8.834 -3.863 1.00 0.00 C ATOM 99 O ILE A 7 2.058 -8.137 -3.824 1.00 0.00 O ATOM 100 CB ILE A 7 -1.144 -7.920 -4.681 1.00 0.00 C ATOM 101 CG1 ILE A 7 -2.052 -7.729 -5.900 1.00 0.00 C ATOM 102 CG2 ILE A 7 -0.738 -6.568 -4.104 1.00 0.00 C ATOM 103 CD1 ILE A 7 -1.376 -7.040 -7.067 1.00 0.00 C ATOM 0 H ILE A 7 -1.270 -10.309 -5.416 1.00 0.00 H new ATOM 0 HA ILE A 7 0.600 -8.276 -5.893 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.698 -8.463 -3.915 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.415 -8.704 -6.227 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.925 -7.147 -5.603 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.631 -5.998 -3.850 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.137 -6.721 -3.207 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.155 -6.018 -4.842 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.083 -6.942 -7.891 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.038 -6.051 -6.759 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.520 -7.631 -7.392 1.00 0.00 H new ATOM 115 N LEU A 8 0.716 -9.704 -2.909 1.00 0.00 N ATOM 116 CA LEU A 8 1.542 -9.906 -1.721 1.00 0.00 C ATOM 117 C LEU A 8 2.968 -10.289 -2.105 1.00 0.00 C ATOM 118 O LEU A 8 3.937 -9.776 -1.544 1.00 0.00 O ATOM 119 CB LEU A 8 0.947 -11.004 -0.838 1.00 0.00 C ATOM 120 CG LEU A 8 -0.483 -10.761 -0.355 1.00 0.00 C ATOM 121 CD1 LEU A 8 -0.980 -11.969 0.422 1.00 0.00 C ATOM 122 CD2 LEU A 8 -0.556 -9.504 0.502 1.00 0.00 C ATOM 0 H LEU A 8 -0.123 -10.283 -2.937 1.00 0.00 H new ATOM 0 HA LEU A 8 1.564 -8.966 -1.169 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.970 -11.943 -1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.589 -11.132 0.034 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.125 -10.614 -1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.999 -11.788 0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.963 -12.848 -0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.334 -12.138 1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.582 -9.350 0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.094 -9.617 1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.232 -8.644 -0.085 1.00 0.00 H new ATOM 134 N ASP A 9 3.084 -11.194 -3.070 1.00 0.00 N ATOM 135 CA ASP A 9 4.385 -11.647 -3.552 1.00 0.00 C ATOM 136 C ASP A 9 5.126 -10.502 -4.227 1.00 0.00 C ATOM 137 O ASP A 9 6.317 -10.294 -3.998 1.00 0.00 O ATOM 138 CB ASP A 9 4.218 -12.807 -4.535 1.00 0.00 C ATOM 139 CG ASP A 9 5.540 -13.455 -4.900 1.00 0.00 C ATOM 140 OD1 ASP A 9 5.990 -14.359 -4.158 1.00 0.00 O ATOM 141 OD2 ASP A 9 6.127 -13.087 -5.938 1.00 0.00 O ATOM 0 H ASP A 9 2.289 -11.631 -3.536 1.00 0.00 H new ATOM 0 HA ASP A 9 4.966 -11.991 -2.697 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.558 -13.557 -4.098 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.733 -12.444 -5.441 1.00 0.00 H new ATOM 146 N GLN A 10 4.403 -9.750 -5.046 1.00 0.00 N ATOM 147 CA GLN A 10 4.974 -8.602 -5.738 1.00 0.00 C ATOM 148 C GLN A 10 5.473 -7.554 -4.746 1.00 0.00 C ATOM 149 O GLN A 10 6.487 -6.898 -4.990 1.00 0.00 O ATOM 150 CB GLN A 10 3.956 -7.978 -6.690 1.00 0.00 C ATOM 151 CG GLN A 10 3.587 -8.876 -7.858 1.00 0.00 C ATOM 152 CD GLN A 10 2.734 -8.167 -8.886 1.00 0.00 C ATOM 153 OE1 GLN A 10 1.427 -8.271 -8.747 1.00 0.00 O flip ATOM 154 NE2 GLN A 10 3.253 -7.545 -9.812 1.00 0.00 N flip ATOM 0 H GLN A 10 3.417 -9.915 -5.248 1.00 0.00 H new ATOM 0 HA GLN A 10 5.824 -8.959 -6.320 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.053 -7.732 -6.132 1.00 0.00 H new ATOM 0 HB3 GLN A 10 4.358 -7.041 -7.076 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.497 -9.240 -8.334 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.051 -9.749 -7.486 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.269 -7.489 -9.883 1.00 0.00 H new ATOM 0 HE22 GLN A 10 2.667 -7.085 -10.509 1.00 0.00 H new ATOM 163 N ILE A 11 4.755 -7.393 -3.637 1.00 0.00 N ATOM 164 CA ILE A 11 5.184 -6.491 -2.571 1.00 0.00 C ATOM 165 C ILE A 11 6.552 -6.912 -2.042 1.00 0.00 C ATOM 166 O ILE A 11 7.443 -6.081 -1.870 1.00 0.00 O ATOM 167 CB ILE A 11 4.176 -6.453 -1.398 1.00 0.00 C ATOM 168 CG1 ILE A 11 2.820 -5.928 -1.876 1.00 0.00 C ATOM 169 CG2 ILE A 11 4.706 -5.593 -0.254 1.00 0.00 C ATOM 170 CD1 ILE A 11 1.753 -5.935 -0.801 1.00 0.00 C ATOM 0 H ILE A 11 3.875 -7.875 -3.453 1.00 0.00 H new ATOM 0 HA ILE A 11 5.240 -5.492 -3.003 1.00 0.00 H new ATOM 0 HB ILE A 11 4.046 -7.470 -1.028 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.944 -4.910 -2.246 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.481 -6.534 -2.716 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.980 -5.581 0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.648 -6.007 0.106 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.869 -4.575 -0.609 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.820 -5.550 -1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.600 -6.954 -0.447 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.070 -5.306 0.031 1.00 0.00 H new ATOM 182 N ARG A 12 6.713 -8.211 -1.809 1.00 0.00 N ATOM 183 CA ARG A 12 7.978 -8.753 -1.324 1.00 0.00 C ATOM 184 C ARG A 12 9.102 -8.482 -2.323 1.00 0.00 C ATOM 185 O ARG A 12 10.170 -7.987 -1.953 1.00 0.00 O ATOM 186 CB ARG A 12 7.861 -10.260 -1.085 1.00 0.00 C ATOM 187 CG ARG A 12 6.850 -10.652 -0.018 1.00 0.00 C ATOM 188 CD ARG A 12 6.783 -12.163 0.122 1.00 0.00 C ATOM 189 NE ARG A 12 5.811 -12.603 1.122 1.00 0.00 N ATOM 190 CZ ARG A 12 5.418 -13.871 1.254 1.00 0.00 C ATOM 191 NH1 ARG A 12 5.880 -14.796 0.419 1.00 0.00 N ATOM 192 NH2 ARG A 12 4.552 -14.213 2.200 1.00 0.00 N ATOM 0 H ARG A 12 5.982 -8.909 -1.948 1.00 0.00 H new ATOM 0 HA ARG A 12 8.214 -8.258 -0.382 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.587 -10.744 -2.023 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.839 -10.647 -0.801 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.128 -10.204 0.936 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.867 -10.261 -0.279 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.526 -12.600 -0.843 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.769 -12.541 0.391 1.00 0.00 H new ATOM 0 HE ARG A 12 5.413 -11.905 1.750 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.533 -14.536 -0.320 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.582 -15.766 0.517 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.182 -13.504 2.833 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.257 -15.185 2.294 1.00 0.00 H new ATOM 206 N VAL A 13 8.851 -8.799 -3.592 1.00 0.00 N ATOM 207 CA VAL A 13 9.847 -8.614 -4.642 1.00 0.00 C ATOM 208 C VAL A 13 10.196 -7.138 -4.813 1.00 0.00 C ATOM 209 O VAL A 13 11.368 -6.768 -4.830 1.00 0.00 O ATOM 210 CB VAL A 13 9.354 -9.184 -5.993 1.00 0.00 C ATOM 211 CG1 VAL A 13 10.398 -8.980 -7.081 1.00 0.00 C ATOM 212 CG2 VAL A 13 9.007 -10.658 -5.857 1.00 0.00 C ATOM 0 H VAL A 13 7.965 -9.186 -3.917 1.00 0.00 H new ATOM 0 HA VAL A 13 10.740 -9.159 -4.335 1.00 0.00 H new ATOM 0 HB VAL A 13 8.453 -8.642 -6.280 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.028 -9.389 -8.021 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.595 -7.915 -7.201 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.320 -9.490 -6.801 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.662 -11.041 -6.818 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.891 -11.212 -5.542 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.219 -10.779 -5.114 1.00 0.00 H new ATOM 222 N HIS A 14 9.174 -6.295 -4.908 1.00 0.00 N ATOM 223 CA HIS A 14 9.380 -4.862 -5.083 1.00 0.00 C ATOM 224 C HIS A 14 10.025 -4.239 -3.849 1.00 0.00 C ATOM 225 O HIS A 14 10.709 -3.221 -3.953 1.00 0.00 O ATOM 226 CB HIS A 14 8.069 -4.146 -5.416 1.00 0.00 C ATOM 227 CG HIS A 14 7.560 -4.409 -6.806 1.00 0.00 C ATOM 228 ND1 HIS A 14 8.386 -4.566 -7.904 1.00 0.00 N ATOM 229 CD2 HIS A 14 6.294 -4.535 -7.276 1.00 0.00 C ATOM 230 CE1 HIS A 14 7.650 -4.770 -8.980 1.00 0.00 C ATOM 231 NE2 HIS A 14 6.381 -4.755 -8.627 1.00 0.00 N ATOM 0 H HIS A 14 8.195 -6.579 -4.867 1.00 0.00 H new ATOM 0 HA HIS A 14 10.061 -4.736 -5.925 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.308 -4.452 -4.698 1.00 0.00 H new ATOM 0 HB3 HIS A 14 8.212 -3.073 -5.290 1.00 0.00 H new ATOM 0 HD2 HIS A 14 5.386 -4.474 -6.694 1.00 0.00 H new ATOM 0 HE1 HIS A 14 8.025 -4.923 -9.981 1.00 0.00 H new ATOM 0 HE2 HIS A 14 5.590 -4.886 -9.257 1.00 0.00 H new ATOM 240 N GLY A 15 9.791 -4.835 -2.685 1.00 0.00 N ATOM 241 CA GLY A 15 10.424 -4.363 -1.467 1.00 0.00 C ATOM 242 C GLY A 15 11.920 -4.611 -1.475 1.00 0.00 C ATOM 243 O GLY A 15 12.703 -3.741 -1.093 1.00 0.00 O ATOM 0 H GLY A 15 9.173 -5.638 -2.563 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.233 -3.296 -1.349 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.977 -4.864 -0.608 1.00 0.00 H new ATOM 247 N ALA A 16 12.320 -5.797 -1.921 1.00 0.00 N ATOM 248 CA ALA A 16 13.732 -6.127 -2.052 1.00 0.00 C ATOM 249 C ALA A 16 14.344 -5.369 -3.224 1.00 0.00 C ATOM 250 O ALA A 16 15.538 -5.078 -3.240 1.00 0.00 O ATOM 251 CB ALA A 16 13.907 -7.626 -2.234 1.00 0.00 C ATOM 0 H ALA A 16 11.685 -6.545 -2.198 1.00 0.00 H new ATOM 0 HA ALA A 16 14.249 -5.828 -1.140 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.967 -7.859 -2.331 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.498 -8.148 -1.369 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.381 -7.947 -3.133 1.00 0.00 H new ATOM 257 N ASP A 17 13.501 -5.071 -4.204 1.00 0.00 N ATOM 258 CA ASP A 17 13.877 -4.263 -5.360 1.00 0.00 C ATOM 259 C ASP A 17 14.203 -2.841 -4.936 1.00 0.00 C ATOM 260 O ASP A 17 15.127 -2.214 -5.454 1.00 0.00 O ATOM 261 CB ASP A 17 12.710 -4.244 -6.343 1.00 0.00 C ATOM 262 CG ASP A 17 12.956 -3.388 -7.569 1.00 0.00 C ATOM 263 OD1 ASP A 17 12.714 -2.166 -7.500 1.00 0.00 O ATOM 264 OD2 ASP A 17 13.335 -3.939 -8.620 1.00 0.00 O ATOM 0 H ASP A 17 12.531 -5.384 -4.221 1.00 0.00 H new ATOM 0 HA ASP A 17 14.762 -4.695 -5.827 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.498 -5.265 -6.661 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.821 -3.879 -5.829 1.00 0.00 H new ATOM 269 N ALA A 18 13.427 -2.350 -3.988 1.00 0.00 N ATOM 270 CA ALA A 18 13.617 -1.009 -3.449 1.00 0.00 C ATOM 271 C ALA A 18 14.942 -0.900 -2.702 1.00 0.00 C ATOM 272 O ALA A 18 15.655 0.089 -2.837 1.00 0.00 O ATOM 273 CB ALA A 18 12.461 -0.641 -2.535 1.00 0.00 C ATOM 0 H ALA A 18 12.651 -2.863 -3.570 1.00 0.00 H new ATOM 0 HA ALA A 18 13.643 -0.308 -4.283 1.00 0.00 H new ATOM 0 HB1 ALA A 18 12.615 0.363 -2.139 1.00 0.00 H new ATOM 0 HB2 ALA A 18 11.528 -0.669 -3.098 1.00 0.00 H new ATOM 0 HB3 ALA A 18 12.409 -1.352 -1.710 1.00 0.00 H new ATOM 279 N TYR A 19 15.264 -1.927 -1.922 1.00 0.00 N ATOM 280 CA TYR A 19 16.519 -1.963 -1.175 1.00 0.00 C ATOM 281 C TYR A 19 17.714 -1.990 -2.126 1.00 0.00 C ATOM 282 O TYR A 19 17.613 -2.494 -3.247 1.00 0.00 O ATOM 283 CB TYR A 19 16.552 -3.179 -0.240 1.00 0.00 C ATOM 284 CG TYR A 19 15.944 -2.921 1.123 1.00 0.00 C ATOM 285 CD1 TYR A 19 14.837 -2.094 1.274 1.00 0.00 C ATOM 286 CD2 TYR A 19 16.486 -3.506 2.262 1.00 0.00 C ATOM 287 CE1 TYR A 19 14.291 -1.854 2.521 1.00 0.00 C ATOM 288 CE2 TYR A 19 15.943 -3.273 3.510 1.00 0.00 C ATOM 289 CZ TYR A 19 14.848 -2.447 3.636 1.00 0.00 C ATOM 290 OH TYR A 19 14.303 -2.213 4.879 1.00 0.00 O ATOM 0 H TYR A 19 14.673 -2.748 -1.790 1.00 0.00 H new ATOM 0 HA TYR A 19 16.583 -1.058 -0.571 1.00 0.00 H new ATOM 0 HB2 TYR A 19 16.020 -4.004 -0.714 1.00 0.00 H new ATOM 0 HB3 TYR A 19 17.586 -3.498 -0.111 1.00 0.00 H new ATOM 0 HD1 TYR A 19 14.396 -1.632 0.403 1.00 0.00 H new ATOM 0 HD2 TYR A 19 17.346 -4.153 2.169 1.00 0.00 H new ATOM 0 HE1 TYR A 19 13.433 -1.206 2.622 1.00 0.00 H new ATOM 0 HE2 TYR A 19 16.375 -3.737 4.384 1.00 0.00 H new ATOM 0 HH TYR A 19 14.811 -2.705 5.557 1.00 0.00 H new ATOM 300 N PRO A 20 18.869 -1.456 -1.697 1.00 0.00 N ATOM 301 CA PRO A 20 19.069 -0.900 -0.353 1.00 0.00 C ATOM 302 C PRO A 20 18.492 0.506 -0.188 1.00 0.00 C ATOM 303 O PRO A 20 18.532 1.076 0.906 1.00 0.00 O ATOM 304 CB PRO A 20 20.599 -0.862 -0.193 1.00 0.00 C ATOM 305 CG PRO A 20 21.170 -1.432 -1.456 1.00 0.00 C ATOM 306 CD PRO A 20 20.090 -1.356 -2.494 1.00 0.00 C ATOM 0 HA PRO A 20 18.557 -1.503 0.397 1.00 0.00 H new ATOM 0 HB2 PRO A 20 20.948 0.158 -0.035 1.00 0.00 H new ATOM 0 HB3 PRO A 20 20.914 -1.444 0.673 1.00 0.00 H new ATOM 0 HG2 PRO A 20 22.049 -0.870 -1.771 1.00 0.00 H new ATOM 0 HG3 PRO A 20 21.489 -2.463 -1.305 1.00 0.00 H new ATOM 0 HD2 PRO A 20 20.132 -0.422 -3.054 1.00 0.00 H new ATOM 0 HD3 PRO A 20 20.168 -2.166 -3.219 1.00 0.00 H new ATOM 314 N GLU A 21 17.969 1.066 -1.273 1.00 0.00 N ATOM 315 CA GLU A 21 17.397 2.408 -1.249 1.00 0.00 C ATOM 316 C GLU A 21 16.104 2.442 -0.433 1.00 0.00 C ATOM 317 O GLU A 21 15.703 1.441 0.168 1.00 0.00 O ATOM 318 CB GLU A 21 17.121 2.912 -2.671 1.00 0.00 C ATOM 319 CG GLU A 21 18.369 3.238 -3.484 1.00 0.00 C ATOM 320 CD GLU A 21 19.186 2.015 -3.855 1.00 0.00 C ATOM 321 OE1 GLU A 21 18.765 1.264 -4.763 1.00 0.00 O ATOM 322 OE2 GLU A 21 20.257 1.806 -3.249 1.00 0.00 O ATOM 0 H GLU A 21 17.929 0.609 -2.184 1.00 0.00 H new ATOM 0 HA GLU A 21 18.128 3.064 -0.776 1.00 0.00 H new ATOM 0 HB2 GLU A 21 16.544 2.157 -3.204 1.00 0.00 H new ATOM 0 HB3 GLU A 21 16.499 3.805 -2.611 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.074 3.758 -4.395 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.995 3.924 -2.914 1.00 0.00 H new ATOM 329 N GLU A 22 15.464 3.601 -0.398 1.00 0.00 N ATOM 330 CA GLU A 22 14.225 3.766 0.350 1.00 0.00 C ATOM 331 C GLU A 22 13.043 3.245 -0.461 1.00 0.00 C ATOM 332 O GLU A 22 13.011 3.387 -1.683 1.00 0.00 O ATOM 333 CB GLU A 22 13.992 5.238 0.721 1.00 0.00 C ATOM 334 CG GLU A 22 14.976 5.797 1.739 1.00 0.00 C ATOM 335 CD GLU A 22 16.386 5.902 1.196 1.00 0.00 C ATOM 336 OE1 GLU A 22 16.613 6.732 0.290 1.00 0.00 O ATOM 337 OE2 GLU A 22 17.270 5.165 1.674 1.00 0.00 O ATOM 0 H GLU A 22 15.782 4.442 -0.879 1.00 0.00 H new ATOM 0 HA GLU A 22 14.312 3.189 1.271 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.045 5.841 -0.186 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.981 5.344 1.115 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.640 6.784 2.058 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.979 5.159 2.623 1.00 0.00 H new ATOM 344 N GLY A 23 12.080 2.643 0.221 1.00 0.00 N ATOM 345 CA GLY A 23 10.923 2.100 -0.457 1.00 0.00 C ATOM 346 C GLY A 23 9.625 2.685 0.060 1.00 0.00 C ATOM 347 O GLY A 23 9.353 3.865 -0.152 1.00 0.00 O ATOM 0 H GLY A 23 12.080 2.521 1.234 1.00 0.00 H new ATOM 0 HA2 GLY A 23 11.006 2.296 -1.526 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.906 1.017 -0.331 1.00 0.00 H new ATOM 351 N CYS A 24 8.850 1.848 0.756 1.00 0.00 N ATOM 352 CA CYS A 24 7.529 2.201 1.303 1.00 0.00 C ATOM 353 C CYS A 24 6.610 2.841 0.255 1.00 0.00 C ATOM 354 O CYS A 24 6.915 2.856 -0.942 1.00 0.00 O ATOM 355 CB CYS A 24 7.652 3.096 2.551 1.00 0.00 C ATOM 356 SG CYS A 24 8.305 4.758 2.266 1.00 0.00 S ATOM 0 H CYS A 24 9.125 0.887 0.961 1.00 0.00 H new ATOM 0 HA CYS A 24 7.062 1.264 1.605 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.667 3.187 3.008 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.294 2.593 3.274 1.00 0.00 H new ATOM 0 HG CYS A 24 8.916 4.793 1.119 1.00 0.00 H new ATOM 362 N GLY A 25 5.451 3.309 0.701 1.00 0.00 N ATOM 363 CA GLY A 25 4.512 3.937 -0.203 1.00 0.00 C ATOM 364 C GLY A 25 3.075 3.657 0.186 1.00 0.00 C ATOM 365 O GLY A 25 2.808 3.157 1.281 1.00 0.00 O ATOM 0 H GLY A 25 5.146 3.264 1.673 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.682 5.014 -0.212 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.690 3.578 -1.217 1.00 0.00 H new ATOM 369 N PHE A 26 2.153 3.953 -0.715 1.00 0.00 N ATOM 370 CA PHE A 26 0.732 3.805 -0.429 1.00 0.00 C ATOM 371 C PHE A 26 0.115 2.674 -1.246 1.00 0.00 C ATOM 372 O PHE A 26 0.638 2.291 -2.297 1.00 0.00 O ATOM 373 CB PHE A 26 -0.004 5.120 -0.705 1.00 0.00 C ATOM 374 CG PHE A 26 0.361 6.225 0.250 1.00 0.00 C ATOM 375 CD1 PHE A 26 1.513 6.972 0.063 1.00 0.00 C ATOM 376 CD2 PHE A 26 -0.448 6.510 1.338 1.00 0.00 C ATOM 377 CE1 PHE A 26 1.852 7.980 0.946 1.00 0.00 C ATOM 378 CE2 PHE A 26 -0.115 7.519 2.222 1.00 0.00 C ATOM 379 CZ PHE A 26 1.037 8.253 2.026 1.00 0.00 C ATOM 0 H PHE A 26 2.361 4.298 -1.652 1.00 0.00 H new ATOM 0 HA PHE A 26 0.627 3.552 0.626 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.215 5.443 -1.723 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.078 4.944 -0.651 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.153 6.764 -0.782 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.349 5.937 1.497 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.754 8.554 0.791 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.755 7.733 3.065 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.301 9.040 2.717 1.00 0.00 H new ATOM 389 N LEU A 27 -0.997 2.143 -0.754 1.00 0.00 N ATOM 390 CA LEU A 27 -1.701 1.059 -1.425 1.00 0.00 C ATOM 391 C LEU A 27 -2.885 1.610 -2.208 1.00 0.00 C ATOM 392 O LEU A 27 -3.706 2.354 -1.666 1.00 0.00 O ATOM 393 CB LEU A 27 -2.191 0.024 -0.407 1.00 0.00 C ATOM 394 CG LEU A 27 -1.103 -0.601 0.466 1.00 0.00 C ATOM 395 CD1 LEU A 27 -1.723 -1.534 1.492 1.00 0.00 C ATOM 396 CD2 LEU A 27 -0.091 -1.346 -0.392 1.00 0.00 C ATOM 0 H LEU A 27 -1.434 2.449 0.115 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.009 0.574 -2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.927 0.498 0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.706 -0.773 -0.943 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.581 0.197 0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.937 -1.972 2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.410 -0.973 2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.268 -2.327 0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.676 -1.784 0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.596 -2.137 -0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.374 -0.652 -1.092 1.00 0.00 H new ATOM 408 N LEU A 28 -2.974 1.244 -3.476 1.00 0.00 N ATOM 409 CA LEU A 28 -4.034 1.745 -4.335 1.00 0.00 C ATOM 410 C LEU A 28 -5.094 0.673 -4.560 1.00 0.00 C ATOM 411 O LEU A 28 -4.777 -0.503 -4.759 1.00 0.00 O ATOM 412 CB LEU A 28 -3.463 2.214 -5.677 1.00 0.00 C ATOM 413 CG LEU A 28 -2.412 3.324 -5.586 1.00 0.00 C ATOM 414 CD1 LEU A 28 -1.923 3.705 -6.975 1.00 0.00 C ATOM 415 CD2 LEU A 28 -2.977 4.540 -4.869 1.00 0.00 C ATOM 0 H LEU A 28 -2.326 0.603 -3.933 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.500 2.596 -3.839 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.020 1.357 -6.185 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.285 2.564 -6.301 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.566 2.950 -5.010 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.176 4.495 -6.894 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.478 2.834 -7.456 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.763 4.060 -7.572 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.215 5.317 -4.815 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.841 4.917 -5.417 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.281 4.259 -3.861 1.00 0.00 H new ATOM 427 N GLY A 29 -6.347 1.079 -4.524 1.00 0.00 N ATOM 428 CA GLY A 29 -7.438 0.150 -4.705 1.00 0.00 C ATOM 429 C GLY A 29 -8.760 0.866 -4.653 1.00 0.00 C ATOM 430 O GLY A 29 -8.842 2.026 -5.042 1.00 0.00 O ATOM 0 H GLY A 29 -6.632 2.046 -4.371 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.333 -0.360 -5.662 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.403 -0.616 -3.930 1.00 0.00 H new ATOM 434 N THR A 30 -9.794 0.190 -4.201 1.00 0.00 N ATOM 435 CA THR A 30 -11.086 0.829 -4.035 1.00 0.00 C ATOM 436 C THR A 30 -11.748 0.415 -2.730 1.00 0.00 C ATOM 437 O THR A 30 -11.600 -0.727 -2.275 1.00 0.00 O ATOM 438 CB THR A 30 -12.024 0.527 -5.213 1.00 0.00 C ATOM 439 OG1 THR A 30 -11.695 -0.747 -5.787 1.00 0.00 O ATOM 440 CG2 THR A 30 -11.938 1.616 -6.272 1.00 0.00 C ATOM 0 H THR A 30 -9.768 -0.796 -3.943 1.00 0.00 H new ATOM 0 HA THR A 30 -10.902 1.903 -4.007 1.00 0.00 H new ATOM 0 HB THR A 30 -13.047 0.499 -4.838 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.912 -0.741 -6.743 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.612 1.377 -7.095 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.224 2.572 -5.834 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.916 1.679 -6.647 1.00 0.00 H new ATOM 448 N VAL A 31 -12.470 1.347 -2.130 1.00 0.00 N ATOM 449 CA VAL A 31 -13.215 1.073 -0.914 1.00 0.00 C ATOM 450 C VAL A 31 -14.618 0.619 -1.276 1.00 0.00 C ATOM 451 O VAL A 31 -15.343 1.320 -1.986 1.00 0.00 O ATOM 452 CB VAL A 31 -13.292 2.312 0.006 1.00 0.00 C ATOM 453 CG1 VAL A 31 -14.060 1.997 1.281 1.00 0.00 C ATOM 454 CG2 VAL A 31 -11.897 2.823 0.336 1.00 0.00 C ATOM 0 H VAL A 31 -12.556 2.305 -2.468 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.692 0.288 -0.369 1.00 0.00 H new ATOM 0 HB VAL A 31 -13.829 3.095 -0.529 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -14.100 2.886 1.911 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -15.074 1.686 1.028 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -13.558 1.193 1.819 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.973 3.696 0.985 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.334 2.041 0.845 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.383 3.099 -0.585 1.00 0.00 H new ATOM 464 N THR A 32 -14.995 -0.553 -0.792 1.00 0.00 N ATOM 465 CA THR A 32 -16.266 -1.153 -1.160 1.00 0.00 C ATOM 466 C THR A 32 -17.434 -0.427 -0.497 1.00 0.00 C ATOM 467 O THR A 32 -17.242 0.446 0.352 1.00 0.00 O ATOM 468 CB THR A 32 -16.312 -2.643 -0.786 1.00 0.00 C ATOM 469 OG1 THR A 32 -16.117 -2.797 0.622 1.00 0.00 O ATOM 470 CG2 THR A 32 -15.248 -3.427 -1.541 1.00 0.00 C ATOM 0 H THR A 32 -14.438 -1.108 -0.143 1.00 0.00 H new ATOM 0 HA THR A 32 -16.359 -1.059 -2.242 1.00 0.00 H new ATOM 0 HB THR A 32 -17.290 -3.035 -1.063 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.249 -2.419 0.875 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.302 -4.478 -1.258 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.417 -3.330 -2.613 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.262 -3.034 -1.293 1.00 0.00 H new ATOM 478 N ASP A 33 -18.639 -0.818 -0.869 1.00 0.00 N ATOM 479 CA ASP A 33 -19.845 -0.161 -0.387 1.00 0.00 C ATOM 480 C ASP A 33 -20.281 -0.723 0.958 1.00 0.00 C ATOM 481 O ASP A 33 -21.218 -0.221 1.581 1.00 0.00 O ATOM 482 CB ASP A 33 -20.978 -0.320 -1.399 1.00 0.00 C ATOM 483 CG ASP A 33 -20.745 0.476 -2.669 1.00 0.00 C ATOM 484 OD1 ASP A 33 -20.046 -0.027 -3.577 1.00 0.00 O ATOM 485 OD2 ASP A 33 -21.263 1.608 -2.766 1.00 0.00 O ATOM 0 H ASP A 33 -18.811 -1.594 -1.509 1.00 0.00 H new ATOM 0 HA ASP A 33 -19.616 0.897 -0.261 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -21.089 -1.375 -1.651 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -21.915 -0.001 -0.942 1.00 0.00 H new ATOM 490 N ASP A 34 -19.610 -1.776 1.397 1.00 0.00 N ATOM 491 CA ASP A 34 -19.931 -2.385 2.682 1.00 0.00 C ATOM 492 C ASP A 34 -18.952 -1.951 3.768 1.00 0.00 C ATOM 493 O ASP A 34 -19.310 -1.872 4.945 1.00 0.00 O ATOM 494 CB ASP A 34 -19.960 -3.910 2.578 1.00 0.00 C ATOM 495 CG ASP A 34 -20.549 -4.543 3.821 1.00 0.00 C ATOM 496 OD1 ASP A 34 -21.705 -4.215 4.157 1.00 0.00 O ATOM 497 OD2 ASP A 34 -19.870 -5.367 4.462 1.00 0.00 O ATOM 0 H ASP A 34 -18.847 -2.225 0.890 1.00 0.00 H new ATOM 0 HA ASP A 34 -20.925 -2.037 2.962 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -20.545 -4.205 1.707 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -18.948 -4.284 2.423 1.00 0.00 H new ATOM 502 N GLY A 35 -17.721 -1.655 3.377 1.00 0.00 N ATOM 503 CA GLY A 35 -16.743 -1.199 4.345 1.00 0.00 C ATOM 504 C GLY A 35 -15.407 -1.894 4.206 1.00 0.00 C ATOM 505 O GLY A 35 -14.465 -1.589 4.941 1.00 0.00 O ATOM 0 H GLY A 35 -17.383 -1.721 2.417 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -16.601 -0.124 4.231 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -17.130 -1.365 5.350 1.00 0.00 H new ATOM 509 N ASP A 36 -15.324 -2.836 3.277 1.00 0.00 N ATOM 510 CA ASP A 36 -14.061 -3.520 3.002 1.00 0.00 C ATOM 511 C ASP A 36 -13.151 -2.655 2.156 1.00 0.00 C ATOM 512 O ASP A 36 -13.614 -1.811 1.383 1.00 0.00 O ATOM 513 CB ASP A 36 -14.267 -4.844 2.264 1.00 0.00 C ATOM 514 CG ASP A 36 -14.418 -6.035 3.184 1.00 0.00 C ATOM 515 OD1 ASP A 36 -13.650 -6.137 4.159 1.00 0.00 O ATOM 516 OD2 ASP A 36 -15.258 -6.911 2.896 1.00 0.00 O ATOM 0 H ASP A 36 -16.108 -3.145 2.703 1.00 0.00 H new ATOM 0 HA ASP A 36 -13.609 -3.718 3.974 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -15.155 -4.766 1.636 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -13.421 -5.015 1.599 1.00 0.00 H new ATOM 521 N ASN A 37 -11.865 -2.907 2.281 1.00 0.00 N ATOM 522 CA ASN A 37 -10.853 -2.229 1.483 1.00 0.00 C ATOM 523 C ASN A 37 -10.163 -3.250 0.595 1.00 0.00 C ATOM 524 O ASN A 37 -9.646 -4.255 1.088 1.00 0.00 O ATOM 525 CB ASN A 37 -9.806 -1.546 2.372 1.00 0.00 C ATOM 526 CG ASN A 37 -10.376 -0.452 3.253 1.00 0.00 C ATOM 527 OD1 ASN A 37 -11.386 0.168 2.928 1.00 0.00 O ATOM 528 ND2 ASN A 37 -9.722 -0.205 4.379 1.00 0.00 N ATOM 0 H ASN A 37 -11.486 -3.588 2.939 1.00 0.00 H new ATOM 0 HA ASN A 37 -11.342 -1.462 0.882 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.331 -2.298 3.003 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.026 -1.122 1.740 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.054 0.523 5.012 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.887 -0.743 4.612 1.00 0.00 H new ATOM 535 N ARG A 38 -10.171 -3.023 -0.708 1.00 0.00 N ATOM 536 CA ARG A 38 -9.517 -3.949 -1.616 1.00 0.00 C ATOM 537 C ARG A 38 -8.351 -3.276 -2.323 1.00 0.00 C ATOM 538 O ARG A 38 -8.430 -2.115 -2.724 1.00 0.00 O ATOM 539 CB ARG A 38 -10.514 -4.539 -2.618 1.00 0.00 C ATOM 540 CG ARG A 38 -10.936 -3.596 -3.721 1.00 0.00 C ATOM 541 CD ARG A 38 -12.263 -4.031 -4.325 1.00 0.00 C ATOM 542 NE ARG A 38 -12.613 -3.252 -5.509 1.00 0.00 N ATOM 543 CZ ARG A 38 -13.568 -3.591 -6.375 1.00 0.00 C ATOM 544 NH1 ARG A 38 -14.340 -4.645 -6.142 1.00 0.00 N ATOM 545 NH2 ARG A 38 -13.764 -2.861 -7.466 1.00 0.00 N ATOM 0 H ARG A 38 -10.615 -2.220 -1.154 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.119 -4.776 -1.028 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.072 -5.428 -3.068 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.403 -4.864 -2.077 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.025 -2.584 -3.326 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.170 -3.569 -4.496 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.211 -5.087 -4.590 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -13.051 -3.928 -3.579 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.093 -2.392 -5.685 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -14.204 -5.200 -5.297 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -15.069 -4.900 -6.808 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.184 -2.041 -7.642 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.495 -3.120 -8.129 1.00 0.00 H new ATOM 559 N VAL A 39 -7.275 -4.019 -2.463 1.00 0.00 N ATOM 560 CA VAL A 39 -6.039 -3.496 -3.030 1.00 0.00 C ATOM 561 C VAL A 39 -5.841 -4.020 -4.445 1.00 0.00 C ATOM 562 O VAL A 39 -5.813 -5.234 -4.667 1.00 0.00 O ATOM 563 CB VAL A 39 -4.814 -3.878 -2.170 1.00 0.00 C ATOM 564 CG1 VAL A 39 -3.540 -3.260 -2.727 1.00 0.00 C ATOM 565 CG2 VAL A 39 -5.020 -3.465 -0.721 1.00 0.00 C ATOM 0 H VAL A 39 -7.226 -5.000 -2.190 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.124 -2.410 -3.048 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.707 -4.962 -2.205 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.694 -3.545 -2.102 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.377 -3.617 -3.744 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.635 -2.174 -2.735 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.144 -3.744 -0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.163 -2.386 -0.667 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.900 -3.968 -0.321 1.00 0.00 H new ATOM 575 N ALA A 40 -5.705 -3.106 -5.396 1.00 0.00 N ATOM 576 CA ALA A 40 -5.574 -3.479 -6.796 1.00 0.00 C ATOM 577 C ALA A 40 -4.218 -3.069 -7.368 1.00 0.00 C ATOM 578 O ALA A 40 -3.741 -3.671 -8.329 1.00 0.00 O ATOM 579 CB ALA A 40 -6.697 -2.855 -7.611 1.00 0.00 C ATOM 0 H ALA A 40 -5.683 -2.101 -5.223 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.643 -4.565 -6.857 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.589 -3.141 -8.657 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.658 -3.207 -7.236 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.650 -1.769 -7.525 1.00 0.00 H new ATOM 585 N ALA A 41 -3.597 -2.053 -6.781 1.00 0.00 N ATOM 586 CA ALA A 41 -2.332 -1.541 -7.296 1.00 0.00 C ATOM 587 C ALA A 41 -1.410 -1.097 -6.165 1.00 0.00 C ATOM 588 O ALA A 41 -1.851 -0.898 -5.034 1.00 0.00 O ATOM 589 CB ALA A 41 -2.579 -0.391 -8.263 1.00 0.00 C ATOM 0 H ALA A 41 -3.946 -1.570 -5.953 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.837 -2.351 -7.831 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.625 -0.020 -8.638 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.186 -0.742 -9.098 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.103 0.413 -7.746 1.00 0.00 H new ATOM 595 N LEU A 42 -0.132 -0.939 -6.483 1.00 0.00 N ATOM 596 CA LEU A 42 0.868 -0.540 -5.501 1.00 0.00 C ATOM 597 C LEU A 42 1.572 0.730 -5.957 1.00 0.00 C ATOM 598 O LEU A 42 1.668 0.992 -7.158 1.00 0.00 O ATOM 599 CB LEU A 42 1.902 -1.657 -5.322 1.00 0.00 C ATOM 600 CG LEU A 42 1.334 -3.027 -4.948 1.00 0.00 C ATOM 601 CD1 LEU A 42 2.428 -4.082 -4.977 1.00 0.00 C ATOM 602 CD2 LEU A 42 0.679 -2.980 -3.578 1.00 0.00 C ATOM 0 H LEU A 42 0.239 -1.083 -7.422 1.00 0.00 H new ATOM 0 HA LEU A 42 0.368 -0.353 -4.551 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.466 -1.758 -6.249 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.609 -1.353 -4.550 1.00 0.00 H new ATOM 0 HG LEU A 42 0.574 -3.295 -5.683 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.007 -5.051 -4.708 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.854 -4.137 -5.979 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.209 -3.816 -4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.281 -3.964 -3.331 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.418 -2.689 -2.831 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.133 -2.253 -3.588 1.00 0.00 H new ATOM 614 N HIS A 43 2.058 1.520 -5.011 1.00 0.00 N ATOM 615 CA HIS A 43 2.820 2.715 -5.344 1.00 0.00 C ATOM 616 C HIS A 43 4.066 2.805 -4.476 1.00 0.00 C ATOM 617 O HIS A 43 3.978 2.820 -3.250 1.00 0.00 O ATOM 618 CB HIS A 43 1.967 3.976 -5.159 1.00 0.00 C ATOM 619 CG HIS A 43 2.561 5.203 -5.788 1.00 0.00 C ATOM 620 ND1 HIS A 43 3.053 6.273 -5.068 1.00 0.00 N ATOM 621 CD2 HIS A 43 2.714 5.534 -7.091 1.00 0.00 C ATOM 622 CE1 HIS A 43 3.474 7.204 -5.905 1.00 0.00 C ATOM 623 NE2 HIS A 43 3.279 6.782 -7.136 1.00 0.00 N ATOM 0 H HIS A 43 1.939 1.357 -4.011 1.00 0.00 H new ATOM 0 HA HIS A 43 3.116 2.646 -6.391 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.979 3.802 -5.585 1.00 0.00 H new ATOM 0 HB3 HIS A 43 1.827 4.156 -4.093 1.00 0.00 H new ATOM 0 HD1 HIS A 43 3.086 6.335 -4.050 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.441 4.926 -7.941 1.00 0.00 H new ATOM 0 HE1 HIS A 43 3.906 8.153 -5.626 1.00 0.00 H new ATOM 632 N ARG A 44 5.219 2.853 -5.119 1.00 0.00 N ATOM 633 CA ARG A 44 6.477 3.026 -4.413 1.00 0.00 C ATOM 634 C ARG A 44 7.030 4.412 -4.685 1.00 0.00 C ATOM 635 O ARG A 44 7.073 4.851 -5.838 1.00 0.00 O ATOM 636 CB ARG A 44 7.497 1.974 -4.849 1.00 0.00 C ATOM 637 CG ARG A 44 7.093 0.549 -4.519 1.00 0.00 C ATOM 638 CD ARG A 44 8.150 -0.445 -4.973 1.00 0.00 C ATOM 639 NE ARG A 44 8.315 -0.434 -6.427 1.00 0.00 N ATOM 640 CZ ARG A 44 9.438 -0.788 -7.059 1.00 0.00 C ATOM 641 NH1 ARG A 44 10.488 -1.219 -6.365 1.00 0.00 N ATOM 642 NH2 ARG A 44 9.499 -0.718 -8.384 1.00 0.00 N ATOM 0 H ARG A 44 5.311 2.774 -6.132 1.00 0.00 H new ATOM 0 HA ARG A 44 6.291 2.906 -3.346 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.652 2.057 -5.925 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.453 2.190 -4.372 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.938 0.452 -3.444 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.143 0.318 -5.000 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.101 -0.207 -4.497 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.872 -1.447 -4.646 1.00 0.00 H new ATOM 0 HE ARG A 44 7.521 -0.137 -6.995 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.437 -1.280 -5.348 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.344 -1.489 -6.850 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.691 -0.395 -8.915 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.354 -0.987 -8.870 1.00 0.00 H new ATOM 656 N ALA A 45 7.437 5.100 -3.632 1.00 0.00 N ATOM 657 CA ALA A 45 8.031 6.421 -3.769 1.00 0.00 C ATOM 658 C ALA A 45 9.341 6.345 -4.542 1.00 0.00 C ATOM 659 O ALA A 45 10.366 5.914 -4.018 1.00 0.00 O ATOM 660 CB ALA A 45 8.243 7.047 -2.400 1.00 0.00 C ATOM 0 H ALA A 45 7.367 4.766 -2.671 1.00 0.00 H new ATOM 0 HA ALA A 45 7.346 7.054 -4.333 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.688 8.035 -2.517 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.284 7.139 -1.889 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.909 6.417 -1.811 1.00 0.00 H new ATOM 962 N ASP A 63 4.486 11.435 -1.352 1.00 0.00 N ATOM 963 CA ASP A 63 4.159 10.325 -2.237 1.00 0.00 C ATOM 964 C ASP A 63 2.647 10.193 -2.357 1.00 0.00 C ATOM 965 O ASP A 63 2.130 9.770 -3.394 1.00 0.00 O ATOM 966 CB ASP A 63 4.752 9.005 -1.734 1.00 0.00 C ATOM 967 CG ASP A 63 4.549 7.874 -2.730 1.00 0.00 C ATOM 968 OD1 ASP A 63 5.310 7.808 -3.718 1.00 0.00 O ATOM 969 OD2 ASP A 63 3.620 7.052 -2.541 1.00 0.00 O ATOM 0 HA ASP A 63 4.594 10.537 -3.214 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.818 9.135 -1.545 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.290 8.739 -0.784 1.00 0.00 H new ATOM 974 N TYR A 64 1.940 10.600 -1.301 1.00 0.00 N ATOM 975 CA TYR A 64 0.488 10.474 -1.251 1.00 0.00 C ATOM 976 C TYR A 64 -0.167 11.170 -2.434 1.00 0.00 C ATOM 977 O TYR A 64 -0.974 10.572 -3.130 1.00 0.00 O ATOM 978 CB TYR A 64 -0.074 11.046 0.055 1.00 0.00 C ATOM 979 CG TYR A 64 -1.586 10.989 0.126 1.00 0.00 C ATOM 980 CD1 TYR A 64 -2.242 9.802 0.425 1.00 0.00 C ATOM 981 CD2 TYR A 64 -2.358 12.118 -0.129 1.00 0.00 C ATOM 982 CE1 TYR A 64 -3.623 9.741 0.473 1.00 0.00 C ATOM 983 CE2 TYR A 64 -3.738 12.063 -0.086 1.00 0.00 C ATOM 984 CZ TYR A 64 -4.365 10.873 0.214 1.00 0.00 C ATOM 985 OH TYR A 64 -5.739 10.815 0.249 1.00 0.00 O ATOM 0 H TYR A 64 2.354 11.020 -0.469 1.00 0.00 H new ATOM 0 HA TYR A 64 0.258 9.410 -1.297 1.00 0.00 H new ATOM 0 HB2 TYR A 64 0.344 10.494 0.896 1.00 0.00 H new ATOM 0 HB3 TYR A 64 0.250 12.081 0.160 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.664 8.911 0.623 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.871 13.053 -0.364 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -4.117 8.811 0.712 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -4.323 12.949 -0.287 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.109 11.699 0.045 1.00 0.00 H new ATOM 995 N ARG A 65 0.186 12.431 -2.661 1.00 0.00 N ATOM 996 CA ARG A 65 -0.421 13.206 -3.736 1.00 0.00 C ATOM 997 C ARG A 65 -0.152 12.577 -5.099 1.00 0.00 C ATOM 998 O ARG A 65 -1.017 12.585 -5.973 1.00 0.00 O ATOM 999 CB ARG A 65 0.075 14.651 -3.711 1.00 0.00 C ATOM 1000 CG ARG A 65 -0.529 15.488 -2.593 1.00 0.00 C ATOM 1001 CD ARG A 65 -0.326 16.978 -2.842 1.00 0.00 C ATOM 1002 NE ARG A 65 -0.834 17.381 -4.158 1.00 0.00 N ATOM 1003 CZ ARG A 65 -2.128 17.459 -4.476 1.00 0.00 C ATOM 1004 NH1 ARG A 65 -3.062 17.302 -3.543 1.00 0.00 N ATOM 1005 NH2 ARG A 65 -2.477 17.743 -5.723 1.00 0.00 N ATOM 0 H ARG A 65 0.886 12.936 -2.117 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.499 13.204 -3.572 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.160 14.651 -3.607 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.153 15.120 -4.668 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.594 15.273 -2.511 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.073 15.211 -1.642 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -0.834 17.550 -2.065 1.00 0.00 H new ATOM 0 HD3 ARG A 65 0.735 17.218 -2.772 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.152 17.618 -4.879 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.792 17.121 -2.576 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.049 17.363 -3.794 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.759 17.900 -6.430 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.463 17.805 -5.975 1.00 0.00 H new ATOM 1019 N ALA A 66 1.038 12.021 -5.271 1.00 0.00 N ATOM 1020 CA ALA A 66 1.390 11.357 -6.519 1.00 0.00 C ATOM 1021 C ALA A 66 0.588 10.073 -6.691 1.00 0.00 C ATOM 1022 O ALA A 66 0.063 9.798 -7.772 1.00 0.00 O ATOM 1023 CB ALA A 66 2.882 11.070 -6.563 1.00 0.00 C ATOM 0 H ALA A 66 1.775 12.016 -4.565 1.00 0.00 H new ATOM 0 HA ALA A 66 1.143 12.023 -7.346 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.130 10.574 -7.501 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.435 12.007 -6.491 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.153 10.424 -5.728 1.00 0.00 H new ATOM 1029 N ALA A 67 0.485 9.302 -5.616 1.00 0.00 N ATOM 1030 CA ALA A 67 -0.317 8.089 -5.623 1.00 0.00 C ATOM 1031 C ALA A 67 -1.785 8.431 -5.825 1.00 0.00 C ATOM 1032 O ALA A 67 -2.497 7.740 -6.546 1.00 0.00 O ATOM 1033 CB ALA A 67 -0.129 7.317 -4.325 1.00 0.00 C ATOM 0 H ALA A 67 0.948 9.497 -4.728 1.00 0.00 H new ATOM 0 HA ALA A 67 0.014 7.460 -6.449 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.737 6.412 -4.348 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.921 7.046 -4.212 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.436 7.939 -3.484 1.00 0.00 H new ATOM 1039 N ASP A 68 -2.216 9.512 -5.188 1.00 0.00 N ATOM 1040 CA ASP A 68 -3.589 9.994 -5.288 1.00 0.00 C ATOM 1041 C ASP A 68 -3.922 10.370 -6.727 1.00 0.00 C ATOM 1042 O ASP A 68 -4.975 9.997 -7.250 1.00 0.00 O ATOM 1043 CB ASP A 68 -3.778 11.207 -4.370 1.00 0.00 C ATOM 1044 CG ASP A 68 -5.200 11.734 -4.352 1.00 0.00 C ATOM 1045 OD1 ASP A 68 -5.546 12.555 -5.226 1.00 0.00 O ATOM 1046 OD2 ASP A 68 -5.969 11.359 -3.440 1.00 0.00 O ATOM 0 H ASP A 68 -1.622 10.082 -4.585 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.264 9.197 -4.976 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.487 10.934 -3.356 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.107 12.004 -4.691 1.00 0.00 H new ATOM 1051 N ALA A 69 -3.012 11.098 -7.368 1.00 0.00 N ATOM 1052 CA ALA A 69 -3.193 11.500 -8.757 1.00 0.00 C ATOM 1053 C ALA A 69 -3.282 10.278 -9.662 1.00 0.00 C ATOM 1054 O ALA A 69 -4.245 10.123 -10.414 1.00 0.00 O ATOM 1055 CB ALA A 69 -2.057 12.411 -9.200 1.00 0.00 C ATOM 0 H ALA A 69 -2.141 11.421 -6.946 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.129 12.053 -8.835 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.208 12.702 -10.240 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.040 13.302 -8.573 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.109 11.882 -9.105 1.00 0.00 H new ATOM 1061 N ALA A 70 -2.288 9.401 -9.562 1.00 0.00 N ATOM 1062 CA ALA A 70 -2.251 8.185 -10.368 1.00 0.00 C ATOM 1063 C ALA A 70 -3.461 7.302 -10.080 1.00 0.00 C ATOM 1064 O ALA A 70 -3.956 6.599 -10.961 1.00 0.00 O ATOM 1065 CB ALA A 70 -0.962 7.419 -10.112 1.00 0.00 C ATOM 0 H ALA A 70 -1.495 9.510 -8.929 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.284 8.473 -11.419 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.949 6.515 -10.720 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.109 8.045 -10.374 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.903 7.148 -9.058 1.00 0.00 H new ATOM 1071 N ALA A 71 -3.932 7.342 -8.841 1.00 0.00 N ATOM 1072 CA ALA A 71 -5.124 6.607 -8.453 1.00 0.00 C ATOM 1073 C ALA A 71 -6.336 7.141 -9.200 1.00 0.00 C ATOM 1074 O ALA A 71 -7.048 6.379 -9.842 1.00 0.00 O ATOM 1075 CB ALA A 71 -5.344 6.685 -6.946 1.00 0.00 C ATOM 0 H ALA A 71 -3.504 7.878 -8.086 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.984 5.559 -8.718 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.242 6.127 -6.680 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.485 6.256 -6.430 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.463 7.727 -6.649 1.00 0.00 H new ATOM 1081 N GLN A 72 -6.535 8.452 -9.148 1.00 0.00 N ATOM 1082 CA GLN A 72 -7.656 9.087 -9.840 1.00 0.00 C ATOM 1083 C GLN A 72 -7.571 8.839 -11.342 1.00 0.00 C ATOM 1084 O GLN A 72 -8.590 8.645 -12.007 1.00 0.00 O ATOM 1085 CB GLN A 72 -7.686 10.591 -9.561 1.00 0.00 C ATOM 1086 CG GLN A 72 -8.913 11.040 -8.779 1.00 0.00 C ATOM 1087 CD GLN A 72 -8.967 10.471 -7.371 1.00 0.00 C ATOM 1088 OE1 GLN A 72 -10.047 10.212 -6.837 1.00 0.00 O ATOM 1089 NE2 GLN A 72 -7.812 10.308 -6.745 1.00 0.00 N ATOM 0 H GLN A 72 -5.936 9.099 -8.635 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.577 8.644 -9.462 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -6.790 10.867 -9.005 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.652 11.129 -10.508 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.923 12.129 -8.725 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -9.810 10.740 -9.320 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.938 10.533 -7.220 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -7.796 9.957 -5.787 1.00 0.00 H new ATOM 1098 N GLU A 73 -6.348 8.836 -11.860 1.00 0.00 N ATOM 1099 CA GLU A 73 -6.094 8.541 -13.264 1.00 0.00 C ATOM 1100 C GLU A 73 -6.588 7.147 -13.633 1.00 0.00 C ATOM 1101 O GLU A 73 -7.145 6.930 -14.710 1.00 0.00 O ATOM 1102 CB GLU A 73 -4.595 8.662 -13.545 1.00 0.00 C ATOM 1103 CG GLU A 73 -4.074 10.080 -13.404 1.00 0.00 C ATOM 1104 CD GLU A 73 -2.587 10.209 -13.672 1.00 0.00 C ATOM 1105 OE1 GLU A 73 -1.909 9.177 -13.868 1.00 0.00 O ATOM 1106 OE2 GLU A 73 -2.087 11.354 -13.689 1.00 0.00 O ATOM 0 H GLU A 73 -5.507 9.038 -11.319 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.641 9.260 -13.875 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.050 8.012 -12.861 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.391 8.305 -14.555 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.616 10.728 -14.093 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.286 10.438 -12.396 1.00 0.00 H new ATOM 1113 N GLN A 74 -6.387 6.212 -12.723 1.00 0.00 N ATOM 1114 CA GLN A 74 -6.766 4.825 -12.940 1.00 0.00 C ATOM 1115 C GLN A 74 -8.167 4.521 -12.402 1.00 0.00 C ATOM 1116 O GLN A 74 -8.667 3.410 -12.568 1.00 0.00 O ATOM 1117 CB GLN A 74 -5.739 3.919 -12.271 1.00 0.00 C ATOM 1118 CG GLN A 74 -4.391 3.917 -12.976 1.00 0.00 C ATOM 1119 CD GLN A 74 -3.291 3.274 -12.153 1.00 0.00 C ATOM 1120 OE1 GLN A 74 -3.335 3.462 -10.842 1.00 0.00 O flip ATOM 1121 NE2 GLN A 74 -2.386 2.641 -12.695 1.00 0.00 N flip ATOM 0 H GLN A 74 -5.958 6.390 -11.815 1.00 0.00 H new ATOM 0 HA GLN A 74 -6.788 4.641 -14.014 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -5.601 4.238 -11.238 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -6.127 2.901 -12.241 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.484 3.387 -13.924 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -4.109 4.943 -13.211 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.386 2.517 -13.707 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -1.636 2.240 -12.132 1.00 0.00 H new ATOM 1130 N GLY A 75 -8.795 5.501 -11.766 1.00 0.00 N ATOM 1131 CA GLY A 75 -10.128 5.295 -11.216 1.00 0.00 C ATOM 1132 C GLY A 75 -10.099 4.578 -9.877 1.00 0.00 C ATOM 1133 O GLY A 75 -11.079 3.953 -9.472 1.00 0.00 O ATOM 0 H GLY A 75 -8.410 6.434 -11.619 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.622 6.259 -11.098 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.724 4.716 -11.922 1.00 0.00 H new ATOM 1137 N LEU A 76 -8.967 4.672 -9.197 1.00 0.00 N ATOM 1138 CA LEU A 76 -8.771 4.027 -7.905 1.00 0.00 C ATOM 1139 C LEU A 76 -8.605 5.078 -6.818 1.00 0.00 C ATOM 1140 O LEU A 76 -8.558 6.274 -7.106 1.00 0.00 O ATOM 1141 CB LEU A 76 -7.524 3.137 -7.945 1.00 0.00 C ATOM 1142 CG LEU A 76 -7.563 1.990 -8.956 1.00 0.00 C ATOM 1143 CD1 LEU A 76 -6.222 1.272 -9.000 1.00 0.00 C ATOM 1144 CD2 LEU A 76 -8.675 1.011 -8.608 1.00 0.00 C ATOM 0 H LEU A 76 -8.157 5.198 -9.524 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.645 3.414 -7.685 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.660 3.763 -8.166 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.367 2.717 -6.952 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.765 2.408 -9.942 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.268 0.459 -9.725 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.442 1.975 -9.293 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.994 0.867 -8.014 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -8.688 0.201 -9.338 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.500 0.600 -7.613 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -9.634 1.529 -8.623 1.00 0.00 H new ATOM 1156 N ASP A 77 -8.513 4.631 -5.581 1.00 0.00 N ATOM 1157 CA ASP A 77 -8.245 5.514 -4.463 1.00 0.00 C ATOM 1158 C ASP A 77 -7.239 4.860 -3.525 1.00 0.00 C ATOM 1159 O ASP A 77 -6.702 3.790 -3.829 1.00 0.00 O ATOM 1160 CB ASP A 77 -9.536 5.869 -3.713 1.00 0.00 C ATOM 1161 CG ASP A 77 -10.156 4.695 -2.980 1.00 0.00 C ATOM 1162 OD1 ASP A 77 -10.907 3.920 -3.610 1.00 0.00 O ATOM 1163 OD2 ASP A 77 -9.922 4.567 -1.763 1.00 0.00 O ATOM 0 H ASP A 77 -8.621 3.650 -5.323 1.00 0.00 H new ATOM 0 HA ASP A 77 -7.824 6.443 -4.847 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.323 6.662 -2.996 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.261 6.267 -4.423 1.00 0.00 H new ATOM 1168 N VAL A 78 -6.971 5.506 -2.403 1.00 0.00 N ATOM 1169 CA VAL A 78 -5.995 5.001 -1.447 1.00 0.00 C ATOM 1170 C VAL A 78 -6.698 4.251 -0.320 1.00 0.00 C ATOM 1171 O VAL A 78 -7.348 4.857 0.530 1.00 0.00 O ATOM 1172 CB VAL A 78 -5.143 6.145 -0.859 1.00 0.00 C ATOM 1173 CG1 VAL A 78 -4.060 5.603 0.064 1.00 0.00 C ATOM 1174 CG2 VAL A 78 -4.526 6.981 -1.971 1.00 0.00 C ATOM 0 H VAL A 78 -7.415 6.383 -2.130 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.332 4.318 -1.978 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.801 6.784 -0.270 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.475 6.431 0.464 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.522 5.055 0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.406 4.934 -0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.929 7.782 -1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.889 6.350 -2.590 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.317 7.411 -2.585 1.00 0.00 H new ATOM 1184 N VAL A 79 -6.563 2.932 -0.320 1.00 0.00 N ATOM 1185 CA VAL A 79 -7.251 2.095 0.656 1.00 0.00 C ATOM 1186 C VAL A 79 -6.379 1.815 1.875 1.00 0.00 C ATOM 1187 O VAL A 79 -6.862 1.339 2.903 1.00 0.00 O ATOM 1188 CB VAL A 79 -7.704 0.755 0.040 1.00 0.00 C ATOM 1189 CG1 VAL A 79 -8.763 0.991 -1.021 1.00 0.00 C ATOM 1190 CG2 VAL A 79 -6.519 -0.002 -0.546 1.00 0.00 C ATOM 0 H VAL A 79 -5.984 2.418 -0.984 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.131 2.656 0.972 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.137 0.145 0.833 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.072 0.036 -1.446 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -9.625 1.484 -0.571 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.354 1.623 -1.809 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.864 -0.943 -0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.051 0.601 -1.324 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.793 -0.206 0.241 1.00 0.00 H new ATOM 1200 N GLY A 80 -5.094 2.108 1.763 1.00 0.00 N ATOM 1201 CA GLY A 80 -4.199 1.860 2.865 1.00 0.00 C ATOM 1202 C GLY A 80 -2.781 2.281 2.570 1.00 0.00 C ATOM 1203 O GLY A 80 -2.500 2.866 1.523 1.00 0.00 O ATOM 0 H GLY A 80 -4.659 2.511 0.933 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.557 2.394 3.745 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -4.215 0.798 3.109 1.00 0.00 H new ATOM 1207 N VAL A 81 -1.890 1.980 3.497 1.00 0.00 N ATOM 1208 CA VAL A 81 -0.482 2.327 3.364 1.00 0.00 C ATOM 1209 C VAL A 81 0.358 1.142 3.806 1.00 0.00 C ATOM 1210 O VAL A 81 -0.094 0.321 4.607 1.00 0.00 O ATOM 1211 CB VAL A 81 -0.095 3.547 4.238 1.00 0.00 C ATOM 1212 CG1 VAL A 81 1.217 4.159 3.775 1.00 0.00 C ATOM 1213 CG2 VAL A 81 -1.200 4.593 4.255 1.00 0.00 C ATOM 0 H VAL A 81 -2.118 1.490 4.362 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.301 2.583 2.320 1.00 0.00 H new ATOM 0 HB VAL A 81 0.039 3.187 5.258 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.463 5.013 4.406 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.010 3.415 3.845 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.120 4.489 2.741 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.895 5.434 4.877 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.387 4.942 3.239 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.111 4.153 4.661 1.00 0.00 H new ATOM 1223 N TYR A 82 1.574 1.044 3.307 1.00 0.00 N ATOM 1224 CA TYR A 82 2.453 -0.022 3.740 1.00 0.00 C ATOM 1225 C TYR A 82 3.785 0.554 4.201 1.00 0.00 C ATOM 1226 O TYR A 82 4.341 1.460 3.577 1.00 0.00 O ATOM 1227 CB TYR A 82 2.633 -1.098 2.651 1.00 0.00 C ATOM 1228 CG TYR A 82 3.594 -0.752 1.535 1.00 0.00 C ATOM 1229 CD1 TYR A 82 3.192 0.013 0.448 1.00 0.00 C ATOM 1230 CD2 TYR A 82 4.902 -1.217 1.560 1.00 0.00 C ATOM 1231 CE1 TYR A 82 4.069 0.309 -0.578 1.00 0.00 C ATOM 1232 CE2 TYR A 82 5.784 -0.924 0.541 1.00 0.00 C ATOM 1233 CZ TYR A 82 5.363 -0.163 -0.527 1.00 0.00 C ATOM 1234 OH TYR A 82 6.244 0.131 -1.543 1.00 0.00 O ATOM 0 H TYR A 82 1.971 1.678 2.613 1.00 0.00 H new ATOM 0 HA TYR A 82 1.989 -0.525 4.588 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.975 -2.017 3.128 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.658 -1.311 2.212 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.178 0.382 0.404 1.00 0.00 H new ATOM 0 HD2 TYR A 82 5.235 -1.819 2.393 1.00 0.00 H new ATOM 0 HE1 TYR A 82 3.742 0.907 -1.416 1.00 0.00 H new ATOM 0 HE2 TYR A 82 6.800 -1.289 0.580 1.00 0.00 H new ATOM 0 HH TYR A 82 6.504 1.074 -1.488 1.00 0.00 H new ATOM 1244 N HIS A 83 4.274 0.045 5.320 1.00 0.00 N ATOM 1245 CA HIS A 83 5.499 0.545 5.926 1.00 0.00 C ATOM 1246 C HIS A 83 6.595 -0.501 5.804 1.00 0.00 C ATOM 1247 O HIS A 83 6.335 -1.701 5.917 1.00 0.00 O ATOM 1248 CB HIS A 83 5.284 0.898 7.412 1.00 0.00 C ATOM 1249 CG HIS A 83 4.272 1.983 7.664 1.00 0.00 C ATOM 1250 ND1 HIS A 83 3.814 2.313 8.926 1.00 0.00 N ATOM 1251 CD2 HIS A 83 3.626 2.814 6.809 1.00 0.00 C ATOM 1252 CE1 HIS A 83 2.932 3.290 8.831 1.00 0.00 C ATOM 1253 NE2 HIS A 83 2.800 3.612 7.560 1.00 0.00 N ATOM 0 H HIS A 83 3.837 -0.721 5.832 1.00 0.00 H new ATOM 0 HA HIS A 83 5.793 1.452 5.398 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.971 -0.001 7.943 1.00 0.00 H new ATOM 0 HB3 HIS A 83 6.239 1.205 7.840 1.00 0.00 H new ATOM 0 HD1 HIS A 83 4.112 1.870 9.795 1.00 0.00 H new ATOM 0 HD2 HIS A 83 3.740 2.843 5.735 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.407 3.748 9.656 1.00 0.00 H new ATOM 1262 N SER A 84 7.817 -0.051 5.588 1.00 0.00 N ATOM 1263 CA SER A 84 8.939 -0.958 5.435 1.00 0.00 C ATOM 1264 C SER A 84 9.802 -0.933 6.691 1.00 0.00 C ATOM 1265 O SER A 84 10.213 0.131 7.151 1.00 0.00 O ATOM 1266 CB SER A 84 9.765 -0.554 4.211 1.00 0.00 C ATOM 1267 OG SER A 84 8.933 -0.376 3.073 1.00 0.00 O ATOM 0 H SER A 84 8.058 0.937 5.515 1.00 0.00 H new ATOM 0 HA SER A 84 8.567 -1.972 5.289 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.304 0.370 4.420 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.513 -1.319 4.003 1.00 0.00 H new ATOM 0 HG SER A 84 9.380 -0.740 2.281 1.00 0.00 H new ATOM 1273 N HIS A 85 10.049 -2.106 7.254 1.00 0.00 N ATOM 1274 CA HIS A 85 10.844 -2.223 8.467 1.00 0.00 C ATOM 1275 C HIS A 85 12.100 -3.036 8.207 1.00 0.00 C ATOM 1276 O HIS A 85 12.138 -3.851 7.287 1.00 0.00 O ATOM 1277 CB HIS A 85 10.038 -2.890 9.589 1.00 0.00 C ATOM 1278 CG HIS A 85 9.100 -1.970 10.310 1.00 0.00 C ATOM 1279 ND1 HIS A 85 8.487 -2.308 11.499 1.00 0.00 N ATOM 1280 CD2 HIS A 85 8.672 -0.719 10.012 1.00 0.00 C ATOM 1281 CE1 HIS A 85 7.723 -1.307 11.898 1.00 0.00 C ATOM 1282 NE2 HIS A 85 7.819 -0.333 11.015 1.00 0.00 N ATOM 0 H HIS A 85 9.708 -2.995 6.888 1.00 0.00 H new ATOM 0 HA HIS A 85 11.121 -1.215 8.777 1.00 0.00 H new ATOM 0 HB2 HIS A 85 9.465 -3.715 9.167 1.00 0.00 H new ATOM 0 HB3 HIS A 85 10.732 -3.321 10.311 1.00 0.00 H new ATOM 0 HD1 HIS A 85 8.605 -3.193 11.993 1.00 0.00 H new ATOM 0 HD2 HIS A 85 8.950 -0.135 9.147 1.00 0.00 H new ATOM 0 HE1 HIS A 85 7.122 -1.290 12.795 1.00 0.00 H new ATOM 0 HE2 HIS A 85 7.336 0.564 11.069 1.00 0.00 H new ATOM 1291 N PRO A 86 13.148 -2.802 9.003 1.00 0.00 N ATOM 1292 CA PRO A 86 14.347 -3.637 9.015 1.00 0.00 C ATOM 1293 C PRO A 86 14.078 -4.961 9.730 1.00 0.00 C ATOM 1294 O PRO A 86 12.923 -5.364 9.881 1.00 0.00 O ATOM 1295 CB PRO A 86 15.377 -2.796 9.788 1.00 0.00 C ATOM 1296 CG PRO A 86 14.745 -1.458 9.992 1.00 0.00 C ATOM 1297 CD PRO A 86 13.265 -1.688 9.950 1.00 0.00 C ATOM 0 HA PRO A 86 14.687 -3.899 8.013 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.623 -3.261 10.743 1.00 0.00 H new ATOM 0 HB3 PRO A 86 16.308 -2.707 9.228 1.00 0.00 H new ATOM 0 HG2 PRO A 86 15.046 -1.026 10.947 1.00 0.00 H new ATOM 0 HG3 PRO A 86 15.053 -0.759 9.215 1.00 0.00 H new ATOM 0 HD2 PRO A 86 12.865 -1.945 10.931 1.00 0.00 H new ATOM 0 HD3 PRO A 86 12.726 -0.805 9.607 1.00 0.00 H new ATOM 1305 N ASP A 87 15.144 -5.645 10.142 1.00 0.00 N ATOM 1306 CA ASP A 87 15.032 -6.897 10.903 1.00 0.00 C ATOM 1307 C ASP A 87 14.065 -6.765 12.083 1.00 0.00 C ATOM 1308 O ASP A 87 13.387 -7.727 12.451 1.00 0.00 O ATOM 1309 CB ASP A 87 16.411 -7.327 11.413 1.00 0.00 C ATOM 1310 CG ASP A 87 16.335 -8.423 12.458 1.00 0.00 C ATOM 1311 OD1 ASP A 87 15.771 -9.492 12.165 1.00 0.00 O ATOM 1312 OD2 ASP A 87 16.835 -8.213 13.586 1.00 0.00 O ATOM 0 H ASP A 87 16.105 -5.353 9.962 1.00 0.00 H new ATOM 0 HA ASP A 87 14.634 -7.655 10.228 1.00 0.00 H new ATOM 0 HB2 ASP A 87 17.012 -7.674 10.573 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.923 -6.463 11.836 1.00 0.00 H new ATOM 1317 N HIS A 88 14.012 -5.573 12.672 1.00 0.00 N ATOM 1318 CA HIS A 88 13.109 -5.293 13.790 1.00 0.00 C ATOM 1319 C HIS A 88 11.656 -5.653 13.457 1.00 0.00 C ATOM 1320 O HIS A 88 11.250 -5.612 12.298 1.00 0.00 O ATOM 1321 CB HIS A 88 13.216 -3.824 14.209 1.00 0.00 C ATOM 1322 CG HIS A 88 14.295 -3.577 15.219 1.00 0.00 C ATOM 1323 ND1 HIS A 88 15.635 -3.539 14.908 1.00 0.00 N ATOM 1324 CD2 HIS A 88 14.220 -3.377 16.555 1.00 0.00 C ATOM 1325 CE1 HIS A 88 16.335 -3.329 16.006 1.00 0.00 C ATOM 1326 NE2 HIS A 88 15.499 -3.226 17.020 1.00 0.00 N ATOM 0 H HIS A 88 14.588 -4.779 12.392 1.00 0.00 H new ATOM 0 HA HIS A 88 13.417 -5.923 14.625 1.00 0.00 H new ATOM 0 HB2 HIS A 88 13.407 -3.214 13.326 1.00 0.00 H new ATOM 0 HB3 HIS A 88 12.260 -3.499 14.621 1.00 0.00 H new ATOM 0 HD2 HIS A 88 13.317 -3.343 17.146 1.00 0.00 H new ATOM 0 HE1 HIS A 88 17.411 -3.254 16.064 1.00 0.00 H new ATOM 0 HE2 HIS A 88 15.762 -3.061 17.992 1.00 0.00 H new ATOM 1335 N PRO A 89 10.872 -6.012 14.500 1.00 0.00 N ATOM 1336 CA PRO A 89 9.486 -6.506 14.383 1.00 0.00 C ATOM 1337 C PRO A 89 8.637 -5.841 13.295 1.00 0.00 C ATOM 1338 O PRO A 89 8.740 -4.634 13.038 1.00 0.00 O ATOM 1339 CB PRO A 89 8.917 -6.180 15.758 1.00 0.00 C ATOM 1340 CG PRO A 89 10.065 -6.370 16.683 1.00 0.00 C ATOM 1341 CD PRO A 89 11.298 -5.971 15.915 1.00 0.00 C ATOM 0 HA PRO A 89 9.474 -7.557 14.093 1.00 0.00 H new ATOM 0 HB2 PRO A 89 8.537 -5.159 15.800 1.00 0.00 H new ATOM 0 HB3 PRO A 89 8.087 -6.840 16.012 1.00 0.00 H new ATOM 0 HG2 PRO A 89 9.949 -5.758 17.577 1.00 0.00 H new ATOM 0 HG3 PRO A 89 10.131 -7.407 17.013 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.640 -4.976 16.199 1.00 0.00 H new ATOM 0 HD3 PRO A 89 12.124 -6.657 16.103 1.00 0.00 H new ATOM 1349 N ALA A 90 7.762 -6.643 12.693 1.00 0.00 N ATOM 1350 CA ALA A 90 6.882 -6.178 11.625 1.00 0.00 C ATOM 1351 C ALA A 90 5.605 -5.592 12.204 1.00 0.00 C ATOM 1352 O ALA A 90 4.667 -5.266 11.480 1.00 0.00 O ATOM 1353 CB ALA A 90 6.555 -7.317 10.667 1.00 0.00 C ATOM 0 H ALA A 90 7.644 -7.628 12.930 1.00 0.00 H new ATOM 0 HA ALA A 90 7.401 -5.397 11.069 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.898 -6.951 9.878 1.00 0.00 H new ATOM 0 HB2 ALA A 90 7.476 -7.697 10.225 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.056 -8.119 11.212 1.00 0.00 H new ATOM 1359 N ARG A 91 5.580 -5.473 13.518 1.00 0.00 N ATOM 1360 CA ARG A 91 4.468 -4.841 14.201 1.00 0.00 C ATOM 1361 C ARG A 91 4.797 -3.370 14.444 1.00 0.00 C ATOM 1362 O ARG A 91 5.966 -3.014 14.609 1.00 0.00 O ATOM 1363 CB ARG A 91 4.144 -5.584 15.510 1.00 0.00 C ATOM 1364 CG ARG A 91 5.315 -5.719 16.477 1.00 0.00 C ATOM 1365 CD ARG A 91 5.373 -4.567 17.469 1.00 0.00 C ATOM 1366 NE ARG A 91 4.186 -4.522 18.320 1.00 0.00 N ATOM 1367 CZ ARG A 91 4.058 -3.735 19.389 1.00 0.00 C ATOM 1368 NH1 ARG A 91 5.060 -2.945 19.766 1.00 0.00 N ATOM 1369 NH2 ARG A 91 2.923 -3.742 20.082 1.00 0.00 N ATOM 0 H ARG A 91 6.320 -5.807 14.135 1.00 0.00 H new ATOM 0 HA ARG A 91 3.575 -4.893 13.578 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.332 -5.062 16.016 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.778 -6.581 15.264 1.00 0.00 H new ATOM 0 HG2 ARG A 91 5.230 -6.660 17.020 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.247 -5.759 15.914 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.262 -4.668 18.091 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.468 -3.626 16.928 1.00 0.00 H new ATOM 0 HE ARG A 91 3.404 -5.132 18.081 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.932 -2.939 19.237 1.00 0.00 H new ATOM 0 HH12 ARG A 91 4.956 -2.345 20.584 1.00 0.00 H new ATOM 0 HH21 ARG A 91 2.154 -4.348 19.795 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.821 -3.141 20.900 1.00 0.00 H new ATOM 1383 N PRO A 92 3.779 -2.497 14.436 1.00 0.00 N ATOM 1384 CA PRO A 92 3.970 -1.049 14.593 1.00 0.00 C ATOM 1385 C PRO A 92 4.666 -0.685 15.901 1.00 0.00 C ATOM 1386 O PRO A 92 4.207 -1.044 16.985 1.00 0.00 O ATOM 1387 CB PRO A 92 2.542 -0.483 14.567 1.00 0.00 C ATOM 1388 CG PRO A 92 1.653 -1.651 14.830 1.00 0.00 C ATOM 1389 CD PRO A 92 2.363 -2.845 14.265 1.00 0.00 C ATOM 0 HA PRO A 92 4.613 -0.645 13.811 1.00 0.00 H new ATOM 0 HB2 PRO A 92 2.411 0.290 15.324 1.00 0.00 H new ATOM 0 HB3 PRO A 92 2.317 -0.026 13.603 1.00 0.00 H new ATOM 0 HG2 PRO A 92 1.474 -1.773 15.898 1.00 0.00 H new ATOM 0 HG3 PRO A 92 0.680 -1.515 14.357 1.00 0.00 H new ATOM 0 HD2 PRO A 92 2.104 -3.759 14.800 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.111 -3.006 13.217 1.00 0.00 H new ATOM 1397 N SER A 93 5.789 0.015 15.790 1.00 0.00 N ATOM 1398 CA SER A 93 6.516 0.474 16.959 1.00 0.00 C ATOM 1399 C SER A 93 5.986 1.845 17.384 1.00 0.00 C ATOM 1400 O SER A 93 5.025 2.349 16.796 1.00 0.00 O ATOM 1401 CB SER A 93 8.021 0.536 16.666 1.00 0.00 C ATOM 1402 OG SER A 93 8.770 0.694 17.861 1.00 0.00 O ATOM 0 H SER A 93 6.213 0.275 14.900 1.00 0.00 H new ATOM 0 HA SER A 93 6.364 -0.231 17.776 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.333 -0.375 16.156 1.00 0.00 H new ATOM 0 HB3 SER A 93 8.229 1.366 15.991 1.00 0.00 H new ATOM 0 HG SER A 93 9.725 0.729 17.646 1.00 0.00 H new ATOM 1408 N ALA A 94 6.623 2.448 18.381 1.00 0.00 N ATOM 1409 CA ALA A 94 6.133 3.690 18.974 1.00 0.00 C ATOM 1410 C ALA A 94 5.994 4.809 17.942 1.00 0.00 C ATOM 1411 O ALA A 94 4.948 5.449 17.855 1.00 0.00 O ATOM 1412 CB ALA A 94 7.052 4.127 20.104 1.00 0.00 C ATOM 0 H ALA A 94 7.484 2.096 18.799 1.00 0.00 H new ATOM 0 HA ALA A 94 5.137 3.491 19.370 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.678 5.054 20.539 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.081 3.352 20.870 1.00 0.00 H new ATOM 0 HB3 ALA A 94 8.057 4.289 19.714 1.00 0.00 H new ATOM 1418 N THR A 95 7.032 5.019 17.141 1.00 0.00 N ATOM 1419 CA THR A 95 7.025 6.098 16.158 1.00 0.00 C ATOM 1420 C THR A 95 6.135 5.740 14.971 1.00 0.00 C ATOM 1421 O THR A 95 5.485 6.602 14.381 1.00 0.00 O ATOM 1422 CB THR A 95 8.450 6.391 15.650 1.00 0.00 C ATOM 1423 OG1 THR A 95 9.373 6.331 16.747 1.00 0.00 O ATOM 1424 CG2 THR A 95 8.526 7.764 14.997 1.00 0.00 C ATOM 0 H THR A 95 7.885 4.460 17.152 1.00 0.00 H new ATOM 0 HA THR A 95 6.632 6.987 16.651 1.00 0.00 H new ATOM 0 HB THR A 95 8.710 5.640 14.904 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.279 6.516 16.423 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.542 7.945 14.648 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.839 7.803 14.151 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.251 8.528 15.724 1.00 0.00 H new ATOM 1432 N ASP A 96 6.104 4.454 14.641 1.00 0.00 N ATOM 1433 CA ASP A 96 5.286 3.958 13.536 1.00 0.00 C ATOM 1434 C ASP A 96 3.814 4.214 13.848 1.00 0.00 C ATOM 1435 O ASP A 96 3.040 4.632 12.988 1.00 0.00 O ATOM 1436 CB ASP A 96 5.538 2.457 13.331 1.00 0.00 C ATOM 1437 CG ASP A 96 5.344 2.001 11.892 1.00 0.00 C ATOM 1438 OD1 ASP A 96 4.195 1.759 11.482 1.00 0.00 O ATOM 1439 OD2 ASP A 96 6.356 1.856 11.172 1.00 0.00 O ATOM 0 H ASP A 96 6.638 3.732 15.124 1.00 0.00 H new ATOM 0 HA ASP A 96 5.553 4.480 12.617 1.00 0.00 H new ATOM 0 HB2 ASP A 96 6.555 2.221 13.645 1.00 0.00 H new ATOM 0 HB3 ASP A 96 4.866 1.892 13.977 1.00 0.00 H new ATOM 1444 N LEU A 97 3.457 3.995 15.110 1.00 0.00 N ATOM 1445 CA LEU A 97 2.105 4.245 15.601 1.00 0.00 C ATOM 1446 C LEU A 97 1.819 5.748 15.633 1.00 0.00 C ATOM 1447 O LEU A 97 0.712 6.185 15.325 1.00 0.00 O ATOM 1448 CB LEU A 97 1.955 3.624 17.002 1.00 0.00 C ATOM 1449 CG LEU A 97 0.531 3.537 17.573 1.00 0.00 C ATOM 1450 CD1 LEU A 97 0.470 2.494 18.677 1.00 0.00 C ATOM 1451 CD2 LEU A 97 0.062 4.880 18.118 1.00 0.00 C ATOM 0 H LEU A 97 4.096 3.639 15.821 1.00 0.00 H new ATOM 0 HA LEU A 97 1.380 3.785 14.930 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.372 2.617 16.974 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.565 4.202 17.697 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.132 3.248 16.757 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.544 2.442 19.073 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.752 1.521 18.275 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.158 2.770 19.476 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.949 4.779 18.513 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.732 5.204 18.914 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.066 5.619 17.317 1.00 0.00 H new ATOM 1463 N GLU A 98 2.831 6.533 15.994 1.00 0.00 N ATOM 1464 CA GLU A 98 2.680 7.982 16.108 1.00 0.00 C ATOM 1465 C GLU A 98 2.279 8.625 14.784 1.00 0.00 C ATOM 1466 O GLU A 98 1.554 9.620 14.770 1.00 0.00 O ATOM 1467 CB GLU A 98 3.968 8.627 16.621 1.00 0.00 C ATOM 1468 CG GLU A 98 4.199 8.422 18.106 1.00 0.00 C ATOM 1469 CD GLU A 98 5.389 9.199 18.627 1.00 0.00 C ATOM 1470 OE1 GLU A 98 5.211 10.369 19.030 1.00 0.00 O ATOM 1471 OE2 GLU A 98 6.507 8.646 18.651 1.00 0.00 O ATOM 0 H GLU A 98 3.766 6.190 16.213 1.00 0.00 H new ATOM 0 HA GLU A 98 1.878 8.156 16.825 1.00 0.00 H new ATOM 0 HB2 GLU A 98 4.814 8.217 16.070 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.938 9.696 16.410 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.306 8.724 18.653 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.350 7.360 18.303 1.00 0.00 H new ATOM 1478 N GLU A 99 2.740 8.062 13.676 1.00 0.00 N ATOM 1479 CA GLU A 99 2.431 8.624 12.366 1.00 0.00 C ATOM 1480 C GLU A 99 1.118 8.073 11.814 1.00 0.00 C ATOM 1481 O GLU A 99 0.623 8.535 10.784 1.00 0.00 O ATOM 1482 CB GLU A 99 3.575 8.383 11.385 1.00 0.00 C ATOM 1483 CG GLU A 99 4.856 9.092 11.787 1.00 0.00 C ATOM 1484 CD GLU A 99 5.854 9.194 10.655 1.00 0.00 C ATOM 1485 OE1 GLU A 99 5.537 9.851 9.640 1.00 0.00 O ATOM 1486 OE2 GLU A 99 6.972 8.658 10.788 1.00 0.00 O ATOM 0 H GLU A 99 3.323 7.225 13.655 1.00 0.00 H new ATOM 0 HA GLU A 99 2.310 9.700 12.492 1.00 0.00 H new ATOM 0 HB2 GLU A 99 3.766 7.312 11.313 1.00 0.00 H new ATOM 0 HB3 GLU A 99 3.274 8.721 10.393 1.00 0.00 H new ATOM 0 HG2 GLU A 99 4.614 10.094 12.143 1.00 0.00 H new ATOM 0 HG3 GLU A 99 5.313 8.559 12.621 1.00 0.00 H new ATOM 1493 N ALA A 100 0.545 7.098 12.509 1.00 0.00 N ATOM 1494 CA ALA A 100 -0.757 6.564 12.135 1.00 0.00 C ATOM 1495 C ALA A 100 -1.858 7.438 12.720 1.00 0.00 C ATOM 1496 O ALA A 100 -2.471 7.107 13.735 1.00 0.00 O ATOM 1497 CB ALA A 100 -0.910 5.122 12.593 1.00 0.00 C ATOM 0 H ALA A 100 0.961 6.662 13.332 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.838 6.573 11.048 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.892 4.749 12.300 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.136 4.509 12.130 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.812 5.072 13.677 1.00 0.00 H new ATOM 1503 N THR A 101 -2.074 8.581 12.091 1.00 0.00 N ATOM 1504 CA THR A 101 -3.018 9.565 12.589 1.00 0.00 C ATOM 1505 C THR A 101 -4.356 9.457 11.863 1.00 0.00 C ATOM 1506 O THR A 101 -5.366 10.010 12.307 1.00 0.00 O ATOM 1507 CB THR A 101 -2.439 10.990 12.432 1.00 0.00 C ATOM 1508 OG1 THR A 101 -3.174 11.927 13.227 1.00 0.00 O ATOM 1509 CG2 THR A 101 -2.451 11.448 10.977 1.00 0.00 C ATOM 0 H THR A 101 -1.603 8.851 11.227 1.00 0.00 H new ATOM 0 HA THR A 101 -3.188 9.366 13.647 1.00 0.00 H new ATOM 0 HB THR A 101 -1.405 10.952 12.775 1.00 0.00 H new ATOM 0 HG1 THR A 101 -4.128 11.706 13.194 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.036 12.454 10.909 1.00 0.00 H new ATOM 0 HG22 THR A 101 -1.850 10.766 10.376 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.476 11.452 10.605 1.00 0.00 H new ATOM 1517 N PHE A 102 -4.354 8.724 10.763 1.00 0.00 N ATOM 1518 CA PHE A 102 -5.537 8.596 9.920 1.00 0.00 C ATOM 1519 C PHE A 102 -6.051 7.151 9.871 1.00 0.00 C ATOM 1520 O PHE A 102 -5.676 6.374 8.994 1.00 0.00 O ATOM 1521 CB PHE A 102 -5.261 9.141 8.504 1.00 0.00 C ATOM 1522 CG PHE A 102 -4.019 8.592 7.831 1.00 0.00 C ATOM 1523 CD1 PHE A 102 -2.751 8.987 8.240 1.00 0.00 C ATOM 1524 CD2 PHE A 102 -4.122 7.688 6.784 1.00 0.00 C ATOM 1525 CE1 PHE A 102 -1.619 8.492 7.622 1.00 0.00 C ATOM 1526 CE2 PHE A 102 -2.992 7.190 6.162 1.00 0.00 C ATOM 1527 CZ PHE A 102 -1.738 7.591 6.583 1.00 0.00 C ATOM 0 H PHE A 102 -3.542 8.204 10.429 1.00 0.00 H new ATOM 0 HA PHE A 102 -6.327 9.199 10.368 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.123 8.922 7.874 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -5.175 10.226 8.560 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -2.649 9.691 9.053 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -5.098 7.369 6.450 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -0.641 8.810 7.952 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -3.089 6.488 5.347 1.00 0.00 H new ATOM 0 HZ PHE A 102 -0.854 7.201 6.101 1.00 0.00 H new ATOM 1537 N PRO A 103 -6.902 6.766 10.842 1.00 0.00 N ATOM 1538 CA PRO A 103 -7.475 5.415 10.913 1.00 0.00 C ATOM 1539 C PRO A 103 -8.401 5.110 9.734 1.00 0.00 C ATOM 1540 O PRO A 103 -8.702 5.985 8.921 1.00 0.00 O ATOM 1541 CB PRO A 103 -8.271 5.418 12.226 1.00 0.00 C ATOM 1542 CG PRO A 103 -7.800 6.618 12.976 1.00 0.00 C ATOM 1543 CD PRO A 103 -7.382 7.617 11.939 1.00 0.00 C ATOM 0 HA PRO A 103 -6.699 4.651 10.875 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -9.343 5.471 12.035 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -8.093 4.505 12.795 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -8.593 7.020 13.607 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -6.967 6.366 13.632 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -8.214 8.248 11.627 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.600 8.280 12.308 1.00 0.00 H new ATOM 1551 N GLY A 104 -8.845 3.862 9.641 1.00 0.00 N ATOM 1552 CA GLY A 104 -9.696 3.458 8.537 1.00 0.00 C ATOM 1553 C GLY A 104 -8.895 2.827 7.419 1.00 0.00 C ATOM 1554 O GLY A 104 -9.356 1.898 6.752 1.00 0.00 O ATOM 0 H GLY A 104 -8.631 3.123 10.310 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -10.444 2.750 8.894 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -10.234 4.326 8.155 1.00 0.00 H new ATOM 1558 N PHE A 105 -7.689 3.339 7.220 1.00 0.00 N ATOM 1559 CA PHE A 105 -6.765 2.784 6.244 1.00 0.00 C ATOM 1560 C PHE A 105 -6.155 1.493 6.775 1.00 0.00 C ATOM 1561 O PHE A 105 -5.976 1.330 7.984 1.00 0.00 O ATOM 1562 CB PHE A 105 -5.652 3.788 5.926 1.00 0.00 C ATOM 1563 CG PHE A 105 -6.092 4.966 5.098 1.00 0.00 C ATOM 1564 CD1 PHE A 105 -6.880 5.969 5.639 1.00 0.00 C ATOM 1565 CD2 PHE A 105 -5.699 5.075 3.775 1.00 0.00 C ATOM 1566 CE1 PHE A 105 -7.267 7.055 4.876 1.00 0.00 C ATOM 1567 CE2 PHE A 105 -6.083 6.157 3.008 1.00 0.00 C ATOM 1568 CZ PHE A 105 -6.868 7.147 3.558 1.00 0.00 C ATOM 0 H PHE A 105 -7.326 4.146 7.727 1.00 0.00 H new ATOM 0 HA PHE A 105 -7.318 2.571 5.329 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -5.232 4.155 6.863 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -4.851 3.269 5.400 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -7.196 5.902 6.670 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.084 4.303 3.337 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -7.881 7.830 5.311 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -5.768 6.227 1.977 1.00 0.00 H new ATOM 0 HZ PHE A 105 -7.170 7.993 2.959 1.00 0.00 H new ATOM 1578 N THR A 106 -5.834 0.583 5.874 1.00 0.00 N ATOM 1579 CA THR A 106 -5.205 -0.665 6.259 1.00 0.00 C ATOM 1580 C THR A 106 -3.688 -0.514 6.195 1.00 0.00 C ATOM 1581 O THR A 106 -3.135 -0.135 5.161 1.00 0.00 O ATOM 1582 CB THR A 106 -5.662 -1.816 5.340 1.00 0.00 C ATOM 1583 OG1 THR A 106 -7.098 -1.865 5.303 1.00 0.00 O ATOM 1584 CG2 THR A 106 -5.119 -3.152 5.828 1.00 0.00 C ATOM 0 H THR A 106 -5.998 0.685 4.873 1.00 0.00 H new ATOM 0 HA THR A 106 -5.503 -0.906 7.279 1.00 0.00 H new ATOM 0 HB THR A 106 -5.273 -1.630 4.339 1.00 0.00 H new ATOM 0 HG1 THR A 106 -7.385 -2.596 4.717 1.00 0.00 H new ATOM 0 HG21 THR A 106 -5.456 -3.947 5.162 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.029 -3.122 5.834 1.00 0.00 H new ATOM 0 HG23 THR A 106 -5.482 -3.346 6.837 1.00 0.00 H new ATOM 1592 N TYR A 107 -3.022 -0.778 7.311 1.00 0.00 N ATOM 1593 CA TYR A 107 -1.580 -0.615 7.391 1.00 0.00 C ATOM 1594 C TYR A 107 -0.876 -1.954 7.253 1.00 0.00 C ATOM 1595 O TYR A 107 -1.033 -2.839 8.090 1.00 0.00 O ATOM 1596 CB TYR A 107 -1.180 0.034 8.715 1.00 0.00 C ATOM 1597 CG TYR A 107 -1.731 1.427 8.912 1.00 0.00 C ATOM 1598 CD1 TYR A 107 -1.301 2.491 8.126 1.00 0.00 C ATOM 1599 CD2 TYR A 107 -2.678 1.683 9.894 1.00 0.00 C ATOM 1600 CE1 TYR A 107 -1.799 3.766 8.315 1.00 0.00 C ATOM 1601 CE2 TYR A 107 -3.179 2.956 10.089 1.00 0.00 C ATOM 1602 CZ TYR A 107 -2.735 3.991 9.298 1.00 0.00 C ATOM 1603 OH TYR A 107 -3.230 5.259 9.491 1.00 0.00 O ATOM 0 H TYR A 107 -3.459 -1.106 8.172 1.00 0.00 H new ATOM 0 HA TYR A 107 -1.276 0.033 6.569 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -1.520 -0.599 9.535 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -0.092 0.074 8.774 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -0.565 2.318 7.355 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -3.029 0.873 10.516 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -1.456 4.581 7.695 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -3.915 3.138 10.858 1.00 0.00 H new ATOM 0 HH TYR A 107 -4.162 5.295 9.191 1.00 0.00 H new ATOM 1613 N VAL A 108 -0.115 -2.101 6.190 1.00 0.00 N ATOM 1614 CA VAL A 108 0.664 -3.310 5.979 1.00 0.00 C ATOM 1615 C VAL A 108 2.132 -3.047 6.276 1.00 0.00 C ATOM 1616 O VAL A 108 2.725 -2.117 5.738 1.00 0.00 O ATOM 1617 CB VAL A 108 0.517 -3.827 4.532 1.00 0.00 C ATOM 1618 CG1 VAL A 108 1.314 -5.103 4.309 1.00 0.00 C ATOM 1619 CG2 VAL A 108 -0.941 -4.061 4.197 1.00 0.00 C ATOM 0 H VAL A 108 -0.017 -1.400 5.456 1.00 0.00 H new ATOM 0 HA VAL A 108 0.283 -4.072 6.659 1.00 0.00 H new ATOM 0 HB VAL A 108 0.917 -3.060 3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.186 -5.437 3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.370 -4.910 4.499 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.958 -5.878 4.988 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.025 -4.425 3.173 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.357 -4.801 4.881 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.492 -3.126 4.296 1.00 0.00 H new ATOM 1629 N ILE A 109 2.720 -3.852 7.137 1.00 0.00 N ATOM 1630 CA ILE A 109 4.105 -3.660 7.518 1.00 0.00 C ATOM 1631 C ILE A 109 4.913 -4.919 7.221 1.00 0.00 C ATOM 1632 O ILE A 109 4.497 -6.029 7.559 1.00 0.00 O ATOM 1633 CB ILE A 109 4.234 -3.290 9.010 1.00 0.00 C ATOM 1634 CG1 ILE A 109 3.364 -2.069 9.328 1.00 0.00 C ATOM 1635 CG2 ILE A 109 5.692 -3.012 9.358 1.00 0.00 C ATOM 1636 CD1 ILE A 109 3.394 -1.656 10.782 1.00 0.00 C ATOM 0 H ILE A 109 2.261 -4.645 7.586 1.00 0.00 H new ATOM 0 HA ILE A 109 4.500 -2.831 6.930 1.00 0.00 H new ATOM 0 HB ILE A 109 3.888 -4.129 9.613 1.00 0.00 H new ATOM 0 HG12 ILE A 109 3.695 -1.230 8.716 1.00 0.00 H new ATOM 0 HG13 ILE A 109 2.334 -2.285 9.043 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.771 -2.752 10.414 1.00 0.00 H new ATOM 0 HG22 ILE A 109 6.290 -3.901 9.158 1.00 0.00 H new ATOM 0 HG23 ILE A 109 6.059 -2.184 8.752 1.00 0.00 H new ATOM 0 HD11 ILE A 109 2.754 -0.786 10.926 1.00 0.00 H new ATOM 0 HD12 ILE A 109 3.034 -2.478 11.401 1.00 0.00 H new ATOM 0 HD13 ILE A 109 4.416 -1.407 11.068 1.00 0.00 H new ATOM 1648 N VAL A 110 6.050 -4.743 6.569 1.00 0.00 N ATOM 1649 CA VAL A 110 6.912 -5.861 6.216 1.00 0.00 C ATOM 1650 C VAL A 110 8.339 -5.628 6.700 1.00 0.00 C ATOM 1651 O VAL A 110 8.932 -4.569 6.466 1.00 0.00 O ATOM 1652 CB VAL A 110 6.901 -6.121 4.689 1.00 0.00 C ATOM 1653 CG1 VAL A 110 7.292 -4.873 3.908 1.00 0.00 C ATOM 1654 CG2 VAL A 110 7.807 -7.295 4.331 1.00 0.00 C ATOM 0 H VAL A 110 6.400 -3.832 6.272 1.00 0.00 H new ATOM 0 HA VAL A 110 6.517 -6.745 6.716 1.00 0.00 H new ATOM 0 HB VAL A 110 5.881 -6.380 4.405 1.00 0.00 H new ATOM 0 HG11 VAL A 110 7.274 -5.091 2.840 1.00 0.00 H new ATOM 0 HG12 VAL A 110 6.587 -4.071 4.126 1.00 0.00 H new ATOM 0 HG13 VAL A 110 8.296 -4.562 4.198 1.00 0.00 H new ATOM 0 HG21 VAL A 110 7.783 -7.458 3.254 1.00 0.00 H new ATOM 0 HG22 VAL A 110 8.828 -7.074 4.642 1.00 0.00 H new ATOM 0 HG23 VAL A 110 7.458 -8.193 4.842 1.00 0.00 H new ATOM 1664 N SER A 111 8.865 -6.612 7.411 1.00 0.00 N ATOM 1665 CA SER A 111 10.235 -6.590 7.872 1.00 0.00 C ATOM 1666 C SER A 111 11.162 -7.181 6.819 1.00 0.00 C ATOM 1667 O SER A 111 11.111 -8.382 6.527 1.00 0.00 O ATOM 1668 CB SER A 111 10.345 -7.371 9.173 1.00 0.00 C ATOM 1669 OG SER A 111 9.714 -6.679 10.236 1.00 0.00 O ATOM 0 H SER A 111 8.349 -7.449 7.683 1.00 0.00 H new ATOM 0 HA SER A 111 10.535 -5.557 8.047 1.00 0.00 H new ATOM 0 HB2 SER A 111 9.888 -8.353 9.052 1.00 0.00 H new ATOM 0 HB3 SER A 111 11.395 -7.536 9.414 1.00 0.00 H new ATOM 0 HG SER A 111 10.393 -6.357 10.865 1.00 0.00 H new ATOM 1675 N VAL A 112 11.994 -6.334 6.241 1.00 0.00 N ATOM 1676 CA VAL A 112 12.937 -6.766 5.233 1.00 0.00 C ATOM 1677 C VAL A 112 14.345 -6.767 5.816 1.00 0.00 C ATOM 1678 O VAL A 112 14.887 -5.720 6.170 1.00 0.00 O ATOM 1679 CB VAL A 112 12.889 -5.849 3.989 1.00 0.00 C ATOM 1680 CG1 VAL A 112 13.798 -6.375 2.888 1.00 0.00 C ATOM 1681 CG2 VAL A 112 11.459 -5.701 3.477 1.00 0.00 C ATOM 0 H VAL A 112 12.033 -5.338 6.456 1.00 0.00 H new ATOM 0 HA VAL A 112 12.664 -7.774 4.922 1.00 0.00 H new ATOM 0 HB VAL A 112 13.250 -4.865 4.287 1.00 0.00 H new ATOM 0 HG11 VAL A 112 13.745 -5.712 2.025 1.00 0.00 H new ATOM 0 HG12 VAL A 112 14.825 -6.416 3.252 1.00 0.00 H new ATOM 0 HG13 VAL A 112 13.476 -7.375 2.597 1.00 0.00 H new ATOM 0 HG21 VAL A 112 11.451 -5.051 2.602 1.00 0.00 H new ATOM 0 HG22 VAL A 112 11.067 -6.681 3.205 1.00 0.00 H new ATOM 0 HG23 VAL A 112 10.836 -5.265 4.258 1.00 0.00 H new ATOM 1691 N ARG A 113 14.939 -7.942 5.902 1.00 0.00 N ATOM 1692 CA ARG A 113 16.258 -8.076 6.488 1.00 0.00 C ATOM 1693 C ARG A 113 17.318 -8.018 5.402 1.00 0.00 C ATOM 1694 O ARG A 113 17.635 -9.030 4.779 1.00 0.00 O ATOM 1695 CB ARG A 113 16.369 -9.383 7.283 1.00 0.00 C ATOM 1696 CG ARG A 113 17.731 -9.592 7.924 1.00 0.00 C ATOM 1697 CD ARG A 113 17.809 -10.919 8.659 1.00 0.00 C ATOM 1698 NE ARG A 113 16.974 -10.942 9.859 1.00 0.00 N ATOM 1699 CZ ARG A 113 16.460 -12.052 10.387 1.00 0.00 C ATOM 1700 NH1 ARG A 113 16.666 -13.229 9.811 1.00 0.00 N ATOM 1701 NH2 ARG A 113 15.746 -11.977 11.499 1.00 0.00 N ATOM 0 H ARG A 113 14.529 -8.816 5.574 1.00 0.00 H new ATOM 0 HA ARG A 113 16.418 -7.248 7.178 1.00 0.00 H new ATOM 0 HB2 ARG A 113 15.606 -9.391 8.061 1.00 0.00 H new ATOM 0 HB3 ARG A 113 16.157 -10.221 6.619 1.00 0.00 H new ATOM 0 HG2 ARG A 113 18.504 -9.555 7.156 1.00 0.00 H new ATOM 0 HG3 ARG A 113 17.934 -8.778 8.620 1.00 0.00 H new ATOM 0 HD2 ARG A 113 17.499 -11.721 7.989 1.00 0.00 H new ATOM 0 HD3 ARG A 113 18.844 -11.117 8.936 1.00 0.00 H new ATOM 0 HE ARG A 113 16.773 -10.055 10.320 1.00 0.00 H new ATOM 0 HH11 ARG A 113 17.221 -13.289 8.958 1.00 0.00 H new ATOM 0 HH12 ARG A 113 16.269 -14.074 10.222 1.00 0.00 H new ATOM 0 HH21 ARG A 113 15.592 -11.073 11.946 1.00 0.00 H new ATOM 0 HH22 ARG A 113 15.350 -12.823 11.909 1.00 0.00 H new ATOM 1715 N ASP A 114 17.814 -6.809 5.149 1.00 0.00 N ATOM 1716 CA ASP A 114 18.883 -6.584 4.178 1.00 0.00 C ATOM 1717 C ASP A 114 18.516 -7.170 2.814 1.00 0.00 C ATOM 1718 O ASP A 114 19.288 -7.910 2.202 1.00 0.00 O ATOM 1719 CB ASP A 114 20.189 -7.189 4.693 1.00 0.00 C ATOM 1720 CG ASP A 114 21.395 -6.770 3.876 1.00 0.00 C ATOM 1721 OD1 ASP A 114 21.764 -5.579 3.932 1.00 0.00 O ATOM 1722 OD2 ASP A 114 21.993 -7.629 3.191 1.00 0.00 O ATOM 0 H ASP A 114 17.488 -5.960 5.610 1.00 0.00 H new ATOM 0 HA ASP A 114 19.018 -5.510 4.052 1.00 0.00 H new ATOM 0 HB2 ASP A 114 20.338 -6.890 5.731 1.00 0.00 H new ATOM 0 HB3 ASP A 114 20.109 -8.276 4.683 1.00 0.00 H new ATOM 1727 N GLY A 115 17.317 -6.854 2.353 1.00 0.00 N ATOM 1728 CA GLY A 115 16.884 -7.311 1.046 1.00 0.00 C ATOM 1729 C GLY A 115 16.140 -8.630 1.101 1.00 0.00 C ATOM 1730 O GLY A 115 15.729 -9.157 0.068 1.00 0.00 O ATOM 0 H GLY A 115 16.634 -6.289 2.859 1.00 0.00 H new ATOM 0 HA2 GLY A 115 16.240 -6.555 0.597 1.00 0.00 H new ATOM 0 HA3 GLY A 115 17.753 -7.416 0.397 1.00 0.00 H new ATOM 1734 N ALA A 116 15.974 -9.174 2.300 1.00 0.00 N ATOM 1735 CA ALA A 116 15.225 -10.410 2.472 1.00 0.00 C ATOM 1736 C ALA A 116 13.987 -10.182 3.334 1.00 0.00 C ATOM 1737 O ALA A 116 14.078 -10.102 4.561 1.00 0.00 O ATOM 1738 CB ALA A 116 16.108 -11.492 3.076 1.00 0.00 C ATOM 0 H ALA A 116 16.347 -8.780 3.164 1.00 0.00 H new ATOM 0 HA ALA A 116 14.895 -10.745 1.489 1.00 0.00 H new ATOM 0 HB1 ALA A 116 15.530 -12.408 3.197 1.00 0.00 H new ATOM 0 HB2 ALA A 116 16.954 -11.681 2.416 1.00 0.00 H new ATOM 0 HB3 ALA A 116 16.473 -11.163 4.049 1.00 0.00 H new ATOM 1744 N PRO A 117 12.814 -10.035 2.701 1.00 0.00 N ATOM 1745 CA PRO A 117 11.547 -9.845 3.409 1.00 0.00 C ATOM 1746 C PRO A 117 11.127 -11.112 4.142 1.00 0.00 C ATOM 1747 O PRO A 117 10.897 -12.149 3.523 1.00 0.00 O ATOM 1748 CB PRO A 117 10.540 -9.511 2.293 1.00 0.00 C ATOM 1749 CG PRO A 117 11.366 -9.239 1.081 1.00 0.00 C ATOM 1750 CD PRO A 117 12.622 -10.042 1.246 1.00 0.00 C ATOM 0 HA PRO A 117 11.614 -9.066 4.169 1.00 0.00 H new ATOM 0 HB2 PRO A 117 9.854 -10.340 2.122 1.00 0.00 H new ATOM 0 HB3 PRO A 117 9.934 -8.645 2.558 1.00 0.00 H new ATOM 0 HG2 PRO A 117 10.835 -9.528 0.174 1.00 0.00 H new ATOM 0 HG3 PRO A 117 11.591 -8.176 0.993 1.00 0.00 H new ATOM 0 HD2 PRO A 117 12.511 -11.054 0.856 1.00 0.00 H new ATOM 0 HD3 PRO A 117 13.465 -9.590 0.723 1.00 0.00 H new ATOM 1758 N GLU A 118 11.050 -11.028 5.460 1.00 0.00 N ATOM 1759 CA GLU A 118 10.719 -12.188 6.269 1.00 0.00 C ATOM 1760 C GLU A 118 9.254 -12.158 6.690 1.00 0.00 C ATOM 1761 O GLU A 118 8.441 -12.952 6.213 1.00 0.00 O ATOM 1762 CB GLU A 118 11.618 -12.253 7.510 1.00 0.00 C ATOM 1763 CG GLU A 118 11.417 -13.513 8.339 1.00 0.00 C ATOM 1764 CD GLU A 118 12.384 -13.613 9.503 1.00 0.00 C ATOM 1765 OE1 GLU A 118 13.533 -14.048 9.287 1.00 0.00 O ATOM 1766 OE2 GLU A 118 11.993 -13.274 10.640 1.00 0.00 O ATOM 0 H GLU A 118 11.212 -10.172 5.990 1.00 0.00 H new ATOM 0 HA GLU A 118 10.888 -13.078 5.663 1.00 0.00 H new ATOM 0 HB2 GLU A 118 12.661 -12.196 7.197 1.00 0.00 H new ATOM 0 HB3 GLU A 118 11.425 -11.381 8.135 1.00 0.00 H new ATOM 0 HG2 GLU A 118 10.396 -13.533 8.719 1.00 0.00 H new ATOM 0 HG3 GLU A 118 11.536 -14.387 7.698 1.00 0.00 H new ATOM 1773 N ALA A 119 8.924 -11.228 7.575 1.00 0.00 N ATOM 1774 CA ALA A 119 7.578 -11.133 8.115 1.00 0.00 C ATOM 1775 C ALA A 119 6.806 -10.005 7.451 1.00 0.00 C ATOM 1776 O ALA A 119 7.230 -8.850 7.469 1.00 0.00 O ATOM 1777 CB ALA A 119 7.628 -10.930 9.625 1.00 0.00 C ATOM 0 H ALA A 119 9.573 -10.528 7.934 1.00 0.00 H new ATOM 0 HA ALA A 119 7.058 -12.068 7.905 1.00 0.00 H new ATOM 0 HB1 ALA A 119 6.613 -10.860 10.017 1.00 0.00 H new ATOM 0 HB2 ALA A 119 8.139 -11.774 10.089 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.168 -10.010 9.851 1.00 0.00 H new ATOM 1783 N LEU A 120 5.685 -10.356 6.849 1.00 0.00 N ATOM 1784 CA LEU A 120 4.792 -9.379 6.250 1.00 0.00 C ATOM 1785 C LEU A 120 3.431 -9.489 6.925 1.00 0.00 C ATOM 1786 O LEU A 120 2.819 -10.557 6.916 1.00 0.00 O ATOM 1787 CB LEU A 120 4.682 -9.618 4.731 1.00 0.00 C ATOM 1788 CG LEU A 120 3.959 -8.532 3.921 1.00 0.00 C ATOM 1789 CD1 LEU A 120 4.384 -8.600 2.462 1.00 0.00 C ATOM 1790 CD2 LEU A 120 2.448 -8.688 4.020 1.00 0.00 C ATOM 0 H LEU A 120 5.368 -11.321 6.761 1.00 0.00 H new ATOM 0 HA LEU A 120 5.184 -8.372 6.395 1.00 0.00 H new ATOM 0 HB2 LEU A 120 5.689 -9.731 4.329 1.00 0.00 H new ATOM 0 HB3 LEU A 120 4.166 -10.565 4.570 1.00 0.00 H new ATOM 0 HG LEU A 120 4.234 -7.563 4.337 1.00 0.00 H new ATOM 0 HD11 LEU A 120 3.866 -7.826 1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.460 -8.444 2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.131 -9.579 2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.962 -7.906 3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 120 2.157 -9.664 3.631 1.00 0.00 H new ATOM 0 HD23 LEU A 120 2.141 -8.606 5.063 1.00 0.00 H new ATOM 1802 N THR A 121 2.960 -8.406 7.520 1.00 0.00 N ATOM 1803 CA THR A 121 1.717 -8.449 8.266 1.00 0.00 C ATOM 1804 C THR A 121 0.855 -7.229 7.961 1.00 0.00 C ATOM 1805 O THR A 121 1.359 -6.188 7.538 1.00 0.00 O ATOM 1806 CB THR A 121 1.995 -8.505 9.781 1.00 0.00 C ATOM 1807 OG1 THR A 121 3.147 -9.319 10.037 1.00 0.00 O ATOM 1808 CG2 THR A 121 0.809 -9.078 10.535 1.00 0.00 C ATOM 0 H THR A 121 3.416 -7.494 7.501 1.00 0.00 H new ATOM 0 HA THR A 121 1.182 -9.349 7.962 1.00 0.00 H new ATOM 0 HB THR A 121 2.172 -7.486 10.126 1.00 0.00 H new ATOM 0 HG1 THR A 121 3.319 -9.349 11.001 1.00 0.00 H new ATOM 0 HG21 THR A 121 1.034 -9.105 11.601 1.00 0.00 H new ATOM 0 HG22 THR A 121 -0.067 -8.452 10.365 1.00 0.00 H new ATOM 0 HG23 THR A 121 0.607 -10.089 10.181 1.00 0.00 H new ATOM 1816 N ALA A 122 -0.443 -7.362 8.182 1.00 0.00 N ATOM 1817 CA ALA A 122 -1.373 -6.270 7.971 1.00 0.00 C ATOM 1818 C ALA A 122 -2.122 -5.974 9.254 1.00 0.00 C ATOM 1819 O ALA A 122 -2.517 -6.885 9.989 1.00 0.00 O ATOM 1820 CB ALA A 122 -2.340 -6.593 6.842 1.00 0.00 C ATOM 0 H ALA A 122 -0.877 -8.225 8.510 1.00 0.00 H new ATOM 0 HA ALA A 122 -0.810 -5.382 7.683 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -3.028 -5.759 6.702 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -1.781 -6.761 5.921 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -2.905 -7.491 7.092 1.00 0.00 H new ATOM 1826 N TRP A 123 -2.302 -4.697 9.526 1.00 0.00 N ATOM 1827 CA TRP A 123 -2.848 -4.260 10.791 1.00 0.00 C ATOM 1828 C TRP A 123 -3.957 -3.244 10.596 1.00 0.00 C ATOM 1829 O TRP A 123 -3.916 -2.420 9.677 1.00 0.00 O ATOM 1830 CB TRP A 123 -1.743 -3.639 11.638 1.00 0.00 C ATOM 1831 CG TRP A 123 -0.574 -4.546 11.853 1.00 0.00 C ATOM 1832 CD1 TRP A 123 0.551 -4.641 11.081 1.00 0.00 C ATOM 1833 CD2 TRP A 123 -0.428 -5.502 12.902 1.00 0.00 C ATOM 1834 NE1 TRP A 123 1.404 -5.580 11.614 1.00 0.00 N ATOM 1835 CE2 TRP A 123 0.819 -6.127 12.731 1.00 0.00 C ATOM 1836 CE3 TRP A 123 -1.231 -5.880 13.975 1.00 0.00 C ATOM 1837 CZ2 TRP A 123 1.281 -7.114 13.600 1.00 0.00 C ATOM 1838 CZ3 TRP A 123 -0.781 -6.860 14.832 1.00 0.00 C ATOM 1839 CH2 TRP A 123 0.467 -7.467 14.644 1.00 0.00 C ATOM 0 H TRP A 123 -2.075 -3.940 8.881 1.00 0.00 H new ATOM 0 HA TRP A 123 -3.266 -5.132 11.295 1.00 0.00 H new ATOM 0 HB2 TRP A 123 -1.399 -2.724 11.157 1.00 0.00 H new ATOM 0 HB3 TRP A 123 -2.155 -3.355 12.606 1.00 0.00 H new ATOM 0 HD1 TRP A 123 0.741 -4.065 10.187 1.00 0.00 H new ATOM 0 HE1 TRP A 123 2.320 -5.829 11.241 1.00 0.00 H new ATOM 0 HE3 TRP A 123 -2.192 -5.412 14.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 2.243 -7.582 13.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 -1.401 -7.165 15.662 1.00 0.00 H new ATOM 0 HH2 TRP A 123 0.794 -8.229 15.336 1.00 0.00 H new ATOM 1850 N ALA A 124 -4.947 -3.306 11.469 1.00 0.00 N ATOM 1851 CA ALA A 124 -6.002 -2.318 11.483 1.00 0.00 C ATOM 1852 C ALA A 124 -5.856 -1.431 12.710 1.00 0.00 C ATOM 1853 O ALA A 124 -5.649 -1.929 13.820 1.00 0.00 O ATOM 1854 CB ALA A 124 -7.365 -2.989 11.461 1.00 0.00 C ATOM 0 H ALA A 124 -5.039 -4.034 12.178 1.00 0.00 H new ATOM 0 HA ALA A 124 -5.921 -1.699 10.589 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -8.145 -2.228 11.472 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -7.459 -3.592 10.558 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -7.470 -3.629 12.337 1.00 0.00 H new ATOM 1860 N LEU A 125 -5.937 -0.129 12.512 1.00 0.00 N ATOM 1861 CA LEU A 125 -5.832 0.811 13.615 1.00 0.00 C ATOM 1862 C LEU A 125 -7.202 1.056 14.226 1.00 0.00 C ATOM 1863 O LEU A 125 -8.167 1.319 13.510 1.00 0.00 O ATOM 1864 CB LEU A 125 -5.229 2.136 13.138 1.00 0.00 C ATOM 1865 CG LEU A 125 -5.126 3.231 14.206 1.00 0.00 C ATOM 1866 CD1 LEU A 125 -4.225 2.788 15.350 1.00 0.00 C ATOM 1867 CD2 LEU A 125 -4.611 4.522 13.591 1.00 0.00 C ATOM 0 H LEU A 125 -6.075 0.303 11.598 1.00 0.00 H new ATOM 0 HA LEU A 125 -5.175 0.382 14.372 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -4.232 1.941 12.744 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -5.831 2.513 12.311 1.00 0.00 H new ATOM 0 HG LEU A 125 -6.122 3.411 14.609 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -4.167 3.581 16.096 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -4.635 1.888 15.809 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -3.227 2.577 14.966 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -4.543 5.290 14.361 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -3.624 4.352 13.161 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -5.296 4.851 12.810 1.00 0.00 H new ATOM 1879 N ALA A 126 -7.285 0.946 15.549 1.00 0.00 N ATOM 1880 CA ALA A 126 -8.521 1.233 16.264 1.00 0.00 C ATOM 1881 C ALA A 126 -8.926 2.686 16.037 1.00 0.00 C ATOM 1882 O ALA A 126 -8.065 3.559 15.931 1.00 0.00 O ATOM 1883 CB ALA A 126 -8.353 0.947 17.751 1.00 0.00 C ATOM 0 H ALA A 126 -6.509 0.660 16.146 1.00 0.00 H new ATOM 0 HA ALA A 126 -9.311 0.586 15.881 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -9.285 1.166 18.271 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -8.097 -0.103 17.893 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -7.557 1.573 18.154 1.00 0.00 H new ATOM 1889 N PRO A 127 -10.236 2.966 15.952 1.00 0.00 N ATOM 1890 CA PRO A 127 -10.746 4.320 15.677 1.00 0.00 C ATOM 1891 C PRO A 127 -10.254 5.350 16.693 1.00 0.00 C ATOM 1892 O PRO A 127 -10.076 6.525 16.374 1.00 0.00 O ATOM 1893 CB PRO A 127 -12.270 4.163 15.771 1.00 0.00 C ATOM 1894 CG PRO A 127 -12.495 2.866 16.471 1.00 0.00 C ATOM 1895 CD PRO A 127 -11.328 1.994 16.109 1.00 0.00 C ATOM 0 HA PRO A 127 -10.402 4.688 14.710 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -12.716 4.990 16.324 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -12.726 4.159 14.781 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -12.555 3.010 17.550 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -13.434 2.411 16.157 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -11.111 1.263 16.888 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -11.509 1.436 15.190 1.00 0.00 H new ATOM 1903 N ASP A 128 -10.019 4.892 17.915 1.00 0.00 N ATOM 1904 CA ASP A 128 -9.564 5.761 18.992 1.00 0.00 C ATOM 1905 C ASP A 128 -8.043 5.845 19.002 1.00 0.00 C ATOM 1906 O ASP A 128 -7.456 6.517 19.849 1.00 0.00 O ATOM 1907 CB ASP A 128 -10.059 5.228 20.341 1.00 0.00 C ATOM 1908 CG ASP A 128 -11.529 4.869 20.311 1.00 0.00 C ATOM 1909 OD1 ASP A 128 -12.374 5.778 20.461 1.00 0.00 O ATOM 1910 OD2 ASP A 128 -11.847 3.679 20.120 1.00 0.00 O ATOM 0 H ASP A 128 -10.137 3.916 18.187 1.00 0.00 H new ATOM 0 HA ASP A 128 -9.971 6.758 18.827 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -9.478 4.348 20.617 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -9.886 5.979 21.112 1.00 0.00 H new ATOM 1915 N ARG A 129 -7.417 5.147 18.050 1.00 0.00 N ATOM 1916 CA ARG A 129 -5.959 5.043 17.958 1.00 0.00 C ATOM 1917 C ARG A 129 -5.381 4.475 19.258 1.00 0.00 C ATOM 1918 O ARG A 129 -4.254 4.781 19.644 1.00 0.00 O ATOM 1919 CB ARG A 129 -5.325 6.407 17.645 1.00 0.00 C ATOM 1920 CG ARG A 129 -3.876 6.306 17.191 1.00 0.00 C ATOM 1921 CD ARG A 129 -3.182 7.658 17.202 1.00 0.00 C ATOM 1922 NE ARG A 129 -3.779 8.605 16.263 1.00 0.00 N ATOM 1923 CZ ARG A 129 -3.840 9.921 16.480 1.00 0.00 C ATOM 1924 NH1 ARG A 129 -3.370 10.436 17.611 1.00 0.00 N ATOM 1925 NH2 ARG A 129 -4.371 10.726 15.569 1.00 0.00 N ATOM 0 H ARG A 129 -7.910 4.636 17.318 1.00 0.00 H new ATOM 0 HA ARG A 129 -5.721 4.363 17.140 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -5.908 6.902 16.868 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -5.377 7.037 18.533 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -3.339 5.617 17.843 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -3.839 5.887 16.185 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -3.223 8.075 18.208 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -2.129 7.523 16.956 1.00 0.00 H new ATOM 0 HE ARG A 129 -4.171 8.241 15.394 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -2.960 9.825 18.318 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -3.419 11.442 17.772 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -4.735 10.340 14.698 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -4.415 11.731 15.740 1.00 0.00 H new ATOM 1939 N SER A 130 -6.164 3.643 19.933 1.00 0.00 N ATOM 1940 CA SER A 130 -5.723 3.035 21.182 1.00 0.00 C ATOM 1941 C SER A 130 -4.593 2.046 20.910 1.00 0.00 C ATOM 1942 O SER A 130 -3.564 2.058 21.586 1.00 0.00 O ATOM 1943 CB SER A 130 -6.896 2.339 21.888 1.00 0.00 C ATOM 1944 OG SER A 130 -6.518 1.855 23.168 1.00 0.00 O ATOM 0 H SER A 130 -7.103 3.375 19.639 1.00 0.00 H new ATOM 0 HA SER A 130 -5.350 3.819 21.841 1.00 0.00 H new ATOM 0 HB2 SER A 130 -7.726 3.038 21.992 1.00 0.00 H new ATOM 0 HB3 SER A 130 -7.252 1.511 21.275 1.00 0.00 H new ATOM 0 HG SER A 130 -7.286 1.419 23.593 1.00 0.00 H new ATOM 1950 N GLU A 131 -4.782 1.211 19.897 1.00 0.00 N ATOM 1951 CA GLU A 131 -3.775 0.238 19.509 1.00 0.00 C ATOM 1952 C GLU A 131 -4.095 -0.316 18.127 1.00 0.00 C ATOM 1953 O GLU A 131 -5.068 0.102 17.489 1.00 0.00 O ATOM 1954 CB GLU A 131 -3.704 -0.908 20.528 1.00 0.00 C ATOM 1955 CG GLU A 131 -4.979 -1.734 20.611 1.00 0.00 C ATOM 1956 CD GLU A 131 -4.882 -2.846 21.633 1.00 0.00 C ATOM 1957 OE1 GLU A 131 -4.356 -3.932 21.299 1.00 0.00 O ATOM 1958 OE2 GLU A 131 -5.330 -2.646 22.778 1.00 0.00 O ATOM 0 H GLU A 131 -5.628 1.190 19.328 1.00 0.00 H new ATOM 0 HA GLU A 131 -2.806 0.736 19.483 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -2.873 -1.564 20.266 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -3.485 -0.494 21.512 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -5.815 -1.082 20.866 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -5.196 -2.162 19.632 1.00 0.00 H new ATOM 1965 N PHE A 132 -3.280 -1.252 17.677 1.00 0.00 N ATOM 1966 CA PHE A 132 -3.512 -1.929 16.414 1.00 0.00 C ATOM 1967 C PHE A 132 -3.994 -3.341 16.669 1.00 0.00 C ATOM 1968 O PHE A 132 -3.593 -3.979 17.643 1.00 0.00 O ATOM 1969 CB PHE A 132 -2.231 -1.987 15.575 1.00 0.00 C ATOM 1970 CG PHE A 132 -1.819 -0.672 14.977 1.00 0.00 C ATOM 1971 CD1 PHE A 132 -1.149 0.274 15.735 1.00 0.00 C ATOM 1972 CD2 PHE A 132 -2.095 -0.389 13.649 1.00 0.00 C ATOM 1973 CE1 PHE A 132 -0.762 1.476 15.178 1.00 0.00 C ATOM 1974 CE2 PHE A 132 -1.710 0.812 13.088 1.00 0.00 C ATOM 1975 CZ PHE A 132 -1.045 1.747 13.854 1.00 0.00 C ATOM 0 H PHE A 132 -2.444 -1.563 18.172 1.00 0.00 H new ATOM 0 HA PHE A 132 -4.268 -1.366 15.866 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -1.419 -2.358 16.200 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -2.370 -2.710 14.771 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -0.927 0.069 16.772 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -2.617 -1.117 13.046 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -0.238 2.205 15.778 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -1.929 1.019 12.051 1.00 0.00 H new ATOM 0 HZ PHE A 132 -0.746 2.689 13.419 1.00 0.00 H new ATOM 1985 N HIS A 133 -4.853 -3.832 15.802 1.00 0.00 N ATOM 1986 CA HIS A 133 -5.277 -5.209 15.878 1.00 0.00 C ATOM 1987 C HIS A 133 -5.004 -5.899 14.565 1.00 0.00 C ATOM 1988 O HIS A 133 -5.221 -5.331 13.492 1.00 0.00 O ATOM 1989 CB HIS A 133 -6.749 -5.355 16.282 1.00 0.00 C ATOM 1990 CG HIS A 133 -7.726 -4.549 15.486 1.00 0.00 C ATOM 1991 ND1 HIS A 133 -8.761 -5.110 14.772 1.00 0.00 N ATOM 1992 CD2 HIS A 133 -7.843 -3.216 15.331 1.00 0.00 C ATOM 1993 CE1 HIS A 133 -9.475 -4.153 14.214 1.00 0.00 C ATOM 1994 NE2 HIS A 133 -8.941 -2.992 14.539 1.00 0.00 N ATOM 0 H HIS A 133 -5.269 -3.298 15.039 1.00 0.00 H new ATOM 0 HA HIS A 133 -4.697 -5.689 16.666 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -7.025 -6.407 16.203 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -6.847 -5.077 17.331 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -7.193 -2.463 15.752 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -10.349 -4.295 13.596 1.00 0.00 H new ATOM 0 HE2 HIS A 133 -9.287 -2.077 14.249 1.00 0.00 H new ATOM 2003 N ARG A 134 -4.487 -7.108 14.668 1.00 0.00 N ATOM 2004 CA ARG A 134 -4.127 -7.902 13.509 1.00 0.00 C ATOM 2005 C ARG A 134 -5.322 -8.108 12.594 1.00 0.00 C ATOM 2006 O ARG A 134 -6.440 -8.349 13.050 1.00 0.00 O ATOM 2007 CB ARG A 134 -3.578 -9.257 13.955 1.00 0.00 C ATOM 2008 CG ARG A 134 -3.445 -10.268 12.830 1.00 0.00 C ATOM 2009 CD ARG A 134 -2.327 -9.926 11.865 1.00 0.00 C ATOM 2010 NE ARG A 134 -2.267 -10.878 10.751 1.00 0.00 N ATOM 2011 CZ ARG A 134 -1.479 -11.957 10.730 1.00 0.00 C ATOM 2012 NH1 ARG A 134 -0.693 -12.234 11.765 1.00 0.00 N ATOM 2013 NH2 ARG A 134 -1.486 -12.770 9.679 1.00 0.00 N ATOM 0 H ARG A 134 -4.304 -7.568 15.560 1.00 0.00 H new ATOM 0 HA ARG A 134 -3.359 -7.363 12.954 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -2.601 -9.109 14.414 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -4.232 -9.668 14.724 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -3.264 -11.256 13.254 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -4.387 -10.324 12.284 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -2.476 -8.919 11.476 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -1.375 -9.925 12.396 1.00 0.00 H new ATOM 0 HE ARG A 134 -2.864 -10.706 9.942 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -0.689 -11.622 12.581 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -0.093 -13.059 11.744 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -2.094 -12.571 8.885 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -0.883 -13.593 9.667 1.00 0.00 H new ATOM 2027 N GLU A 135 -5.066 -8.006 11.308 1.00 0.00 N ATOM 2028 CA GLU A 135 -6.065 -8.294 10.302 1.00 0.00 C ATOM 2029 C GLU A 135 -5.482 -9.293 9.320 1.00 0.00 C ATOM 2030 O GLU A 135 -4.270 -9.322 9.089 1.00 0.00 O ATOM 2031 CB GLU A 135 -6.512 -7.015 9.581 1.00 0.00 C ATOM 2032 CG GLU A 135 -7.671 -7.225 8.616 1.00 0.00 C ATOM 2033 CD GLU A 135 -8.116 -5.947 7.936 1.00 0.00 C ATOM 2034 OE1 GLU A 135 -8.893 -5.187 8.542 1.00 0.00 O ATOM 2035 OE2 GLU A 135 -7.706 -5.710 6.780 1.00 0.00 O ATOM 0 H GLU A 135 -4.162 -7.722 10.931 1.00 0.00 H new ATOM 0 HA GLU A 135 -6.950 -8.716 10.778 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -6.801 -6.272 10.325 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -5.665 -6.604 9.032 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -7.377 -7.950 7.857 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -8.514 -7.654 9.158 1.00 0.00 H new ATOM 2042 N ASP A 136 -6.332 -10.122 8.763 1.00 0.00 N ATOM 2043 CA ASP A 136 -5.883 -11.153 7.848 1.00 0.00 C ATOM 2044 C ASP A 136 -6.030 -10.697 6.412 1.00 0.00 C ATOM 2045 O ASP A 136 -6.947 -9.945 6.076 1.00 0.00 O ATOM 2046 CB ASP A 136 -6.650 -12.460 8.056 1.00 0.00 C ATOM 2047 CG ASP A 136 -6.215 -13.207 9.301 1.00 0.00 C ATOM 2048 OD1 ASP A 136 -5.103 -13.774 9.300 1.00 0.00 O ATOM 2049 OD2 ASP A 136 -6.996 -13.253 10.279 1.00 0.00 O ATOM 0 H ASP A 136 -7.339 -10.106 8.925 1.00 0.00 H new ATOM 0 HA ASP A 136 -4.829 -11.336 8.059 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -7.716 -12.243 8.122 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -6.509 -13.101 7.186 1.00 0.00 H new ATOM 2054 N ILE A 137 -5.111 -11.137 5.572 1.00 0.00 N ATOM 2055 CA ILE A 137 -5.192 -10.852 4.155 1.00 0.00 C ATOM 2056 C ILE A 137 -6.075 -11.896 3.493 1.00 0.00 C ATOM 2057 O ILE A 137 -5.752 -13.086 3.483 1.00 0.00 O ATOM 2058 CB ILE A 137 -3.804 -10.835 3.461 1.00 0.00 C ATOM 2059 CG1 ILE A 137 -2.867 -9.795 4.091 1.00 0.00 C ATOM 2060 CG2 ILE A 137 -3.967 -10.554 1.977 1.00 0.00 C ATOM 2061 CD1 ILE A 137 -2.228 -10.234 5.394 1.00 0.00 C ATOM 0 H ILE A 137 -4.301 -11.692 5.848 1.00 0.00 H new ATOM 0 HA ILE A 137 -5.614 -9.853 4.045 1.00 0.00 H new ATOM 0 HB ILE A 137 -3.353 -11.818 3.599 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -2.079 -9.554 3.377 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -3.429 -8.878 4.267 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -2.988 -10.544 1.499 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -4.584 -11.331 1.525 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -4.447 -9.585 1.841 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -1.583 -9.440 5.769 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -3.006 -10.446 6.128 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -1.635 -11.133 5.224 1.00 0.00 H new ATOM 2073 N VAL A 138 -7.203 -11.455 2.972 1.00 0.00 N ATOM 2074 CA VAL A 138 -8.145 -12.358 2.345 1.00 0.00 C ATOM 2075 C VAL A 138 -8.192 -12.124 0.844 1.00 0.00 C ATOM 2076 O VAL A 138 -7.961 -11.009 0.366 1.00 0.00 O ATOM 2077 CB VAL A 138 -9.562 -12.215 2.941 1.00 0.00 C ATOM 2078 CG1 VAL A 138 -9.617 -12.810 4.337 1.00 0.00 C ATOM 2079 CG2 VAL A 138 -9.990 -10.756 2.971 1.00 0.00 C ATOM 0 H VAL A 138 -7.489 -10.476 2.971 1.00 0.00 H new ATOM 0 HA VAL A 138 -7.798 -13.372 2.541 1.00 0.00 H new ATOM 0 HB VAL A 138 -10.255 -12.763 2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -10.624 -12.700 4.740 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -9.358 -13.868 4.292 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -8.909 -12.290 4.982 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -10.991 -10.679 3.395 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -9.292 -10.185 3.583 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -9.994 -10.357 1.957 1.00 0.00 H new ATOM 2089 N ARG A 139 -8.490 -13.177 0.114 1.00 0.00 N ATOM 2090 CA ARG A 139 -8.532 -13.131 -1.329 1.00 0.00 C ATOM 2091 C ARG A 139 -9.895 -12.623 -1.783 1.00 0.00 C ATOM 2092 O ARG A 139 -10.881 -12.761 -1.060 1.00 0.00 O ATOM 2093 CB ARG A 139 -8.258 -14.533 -1.873 1.00 0.00 C ATOM 2094 CG ARG A 139 -7.006 -15.162 -1.282 1.00 0.00 C ATOM 2095 CD ARG A 139 -6.884 -16.631 -1.641 1.00 0.00 C ATOM 2096 NE ARG A 139 -5.860 -17.295 -0.836 1.00 0.00 N ATOM 2097 CZ ARG A 139 -6.012 -18.492 -0.276 1.00 0.00 C ATOM 2098 NH1 ARG A 139 -7.123 -19.188 -0.475 1.00 0.00 N ATOM 2099 NH2 ARG A 139 -5.044 -18.993 0.483 1.00 0.00 N ATOM 0 H ARG A 139 -8.711 -14.092 0.507 1.00 0.00 H new ATOM 0 HA ARG A 139 -7.772 -12.449 -1.711 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -9.115 -15.173 -1.662 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -8.157 -14.483 -2.957 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -6.127 -14.627 -1.642 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -7.023 -15.054 -0.197 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -7.844 -17.125 -1.490 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -6.638 -16.729 -2.698 1.00 0.00 H new ATOM 0 HE ARG A 139 -4.974 -16.810 -0.695 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -7.866 -18.806 -1.060 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -7.234 -20.105 -0.043 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -4.188 -18.460 0.635 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -5.157 -19.911 0.914 1.00 0.00 H new ATOM 2113 N PRO A 140 -9.962 -11.989 -2.959 1.00 0.00 N ATOM 2114 CA PRO A 140 -11.221 -11.493 -3.509 1.00 0.00 C ATOM 2115 C PRO A 140 -12.280 -12.587 -3.628 1.00 0.00 C ATOM 2116 O PRO A 140 -12.216 -13.434 -4.519 1.00 0.00 O ATOM 2117 CB PRO A 140 -10.840 -10.978 -4.895 1.00 0.00 C ATOM 2118 CG PRO A 140 -9.379 -10.700 -4.819 1.00 0.00 C ATOM 2119 CD PRO A 140 -8.816 -11.687 -3.833 1.00 0.00 C ATOM 0 HA PRO A 140 -11.663 -10.733 -2.865 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -11.061 -11.718 -5.665 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -11.400 -10.078 -5.148 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -8.909 -10.814 -5.796 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -9.194 -9.676 -4.494 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -8.443 -12.583 -4.330 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -7.983 -11.263 -3.272 1.00 0.00 H new ATOM 2127 N ASP A 141 -13.226 -12.582 -2.699 1.00 0.00 N ATOM 2128 CA ASP A 141 -14.366 -13.491 -2.745 1.00 0.00 C ATOM 2129 C ASP A 141 -15.639 -12.698 -3.011 1.00 0.00 C ATOM 2130 O ASP A 141 -16.317 -12.276 -2.077 1.00 0.00 O ATOM 2131 CB ASP A 141 -14.525 -14.268 -1.430 1.00 0.00 C ATOM 2132 CG ASP A 141 -13.395 -15.239 -1.146 1.00 0.00 C ATOM 2133 OD1 ASP A 141 -13.275 -16.252 -1.869 1.00 0.00 O ATOM 2134 OD2 ASP A 141 -12.650 -15.018 -0.170 1.00 0.00 O ATOM 0 H ASP A 141 -13.227 -11.952 -1.896 1.00 0.00 H new ATOM 0 HA ASP A 141 -14.189 -14.208 -3.547 1.00 0.00 H new ATOM 0 HB2 ASP A 141 -14.595 -13.557 -0.606 1.00 0.00 H new ATOM 0 HB3 ASP A 141 -15.465 -14.819 -1.457 1.00 0.00 H new