USER MOD reduce.3.24.130724 H: found=0, std=0, add=891, rem=0, adj=21 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 85 HIS : no HD1:sc= -1.41 K(o=-1.2,f=2.6) USER MOD Set 1.2: A 88 HIS : no HE2:sc= 1.21 K(o=-1.2,f=-4!) USER MOD Set 1.3: A 93 SER OG : rot -113:sc= -0.966 USER MOD Set 2.1: A 19 TYR OH : rot 180:sc= 0.637 USER MOD Set 2.2: A 84 SER OG : rot 106:sc= 0.813 USER MOD Set 3.1: A 14 HIS : no HD1:sc= -3.11! C(o=-3.2!,f=-2.8!) USER MOD Set 3.2: A 82 TYR OH : rot -140:sc= -0.102 USER MOD Set 4.1: A 37 ASN : amide:sc= 1.86 K(o=2.8,f=-3.3!) USER MOD Set 4.2: A 106 THR OG1 : rot -146:sc= 0.915 USER MOD Single : A 1 MET CE :methyl -111:sc= 0 (180deg=-0.391) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0.191 (180deg=-0.0404) USER MOD Single : A 2 LYS NZ :NH3+ -156:sc= 1.18 (180deg=0.91!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.595 USER MOD Single : A 10 GLN : amide:sc= -2.69! K(o=-2.7!,f=-0.83) USER MOD Single : A 24 CYS SG : rot 180:sc= 0.129 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -86:sc= 2.24 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 TYR OH : rot -122:sc= 0.999 USER MOD Single : A 72 GLN : amide:sc= -0.0483 X(o=-0.048,f=0) USER MOD Single : A 74 GLN : amide:sc= -1.28! K(o=-1.3!,f=-0.037) USER MOD Single : A 83 HIS : no HD1:sc= 0.152 K(o=0.15,f=-4.3!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -38:sc= 0.0448 USER MOD Single : A 107 TYR OH : rot -125:sc= 0.944 USER MOD Single : A 111 SER OG : rot -162:sc= 0.872 USER MOD Single : A 121 THR OG1 : rot 1:sc= 1.95 USER MOD Single : A 130 SER OG : rot 180:sc= 0.053 USER MOD Single : A 133 HIS : no HD1:sc= -0.0393 K(o=-0.039,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.171 -5.947 3.903 1.00 0.00 N ATOM 2 CA MET A 1 -9.084 -5.821 2.906 1.00 0.00 C ATOM 3 C MET A 1 -8.968 -7.076 2.053 1.00 0.00 C ATOM 4 O MET A 1 -8.635 -8.149 2.555 1.00 0.00 O ATOM 5 CB MET A 1 -7.746 -5.546 3.601 1.00 0.00 C ATOM 6 CG MET A 1 -6.563 -5.487 2.643 1.00 0.00 C ATOM 7 SD MET A 1 -4.986 -5.288 3.495 1.00 0.00 S ATOM 8 CE MET A 1 -3.848 -5.356 2.113 1.00 0.00 C ATOM 0 H1 MET A 1 -10.237 -5.070 4.458 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.073 -6.115 3.414 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.968 -6.744 4.539 1.00 0.00 H new ATOM 0 HA MET A 1 -9.331 -4.982 2.255 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.814 -4.601 4.141 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.564 -6.324 4.342 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.537 -6.400 2.048 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.704 -4.658 1.949 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.268 -6.277 2.164 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.409 -5.331 1.179 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.174 -4.500 2.154 1.00 0.00 H new ATOM 20 N LYS A 2 -9.245 -6.930 0.763 1.00 0.00 N ATOM 21 CA LYS A 2 -9.102 -8.032 -0.184 1.00 0.00 C ATOM 22 C LYS A 2 -7.985 -7.723 -1.174 1.00 0.00 C ATOM 23 O LYS A 2 -7.899 -6.610 -1.695 1.00 0.00 O ATOM 24 CB LYS A 2 -10.413 -8.296 -0.946 1.00 0.00 C ATOM 25 CG LYS A 2 -11.521 -8.902 -0.092 1.00 0.00 C ATOM 26 CD LYS A 2 -12.176 -7.860 0.807 1.00 0.00 C ATOM 27 CE LYS A 2 -13.343 -7.161 0.124 1.00 0.00 C ATOM 28 NZ LYS A 2 -14.590 -7.972 0.149 1.00 0.00 N ATOM 0 H LYS A 2 -9.571 -6.058 0.347 1.00 0.00 H new ATOM 0 HA LYS A 2 -8.854 -8.930 0.382 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.769 -7.357 -1.370 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.206 -8.965 -1.781 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.275 -9.350 -0.739 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.110 -9.704 0.521 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.527 -8.340 1.720 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.433 -7.119 1.102 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.526 -6.205 0.614 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.076 -6.943 -0.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.210 -7.680 -0.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.351 -8.979 0.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.082 -7.825 1.053 1.00 0.00 H new ATOM 42 N THR A 3 -7.125 -8.695 -1.422 1.00 0.00 N ATOM 43 CA THR A 3 -6.029 -8.514 -2.364 1.00 0.00 C ATOM 44 C THR A 3 -5.538 -9.864 -2.889 1.00 0.00 C ATOM 45 O THR A 3 -5.554 -10.866 -2.169 1.00 0.00 O ATOM 46 CB THR A 3 -4.857 -7.726 -1.728 1.00 0.00 C ATOM 47 OG1 THR A 3 -3.851 -7.448 -2.711 1.00 0.00 O ATOM 48 CG2 THR A 3 -4.241 -8.489 -0.565 1.00 0.00 C ATOM 0 H THR A 3 -7.162 -9.617 -0.987 1.00 0.00 H new ATOM 0 HA THR A 3 -6.410 -7.930 -3.201 1.00 0.00 H new ATOM 0 HB THR A 3 -5.259 -6.787 -1.347 1.00 0.00 H new ATOM 0 HG1 THR A 3 -3.117 -6.948 -2.296 1.00 0.00 H new ATOM 0 HG21 THR A 3 -3.422 -7.908 -0.142 1.00 0.00 H new ATOM 0 HG22 THR A 3 -4.998 -8.659 0.200 1.00 0.00 H new ATOM 0 HG23 THR A 3 -3.861 -9.447 -0.919 1.00 0.00 H new ATOM 56 N THR A 4 -5.135 -9.886 -4.152 1.00 0.00 N ATOM 57 CA THR A 4 -4.723 -11.113 -4.817 1.00 0.00 C ATOM 58 C THR A 4 -3.342 -11.580 -4.355 1.00 0.00 C ATOM 59 O THR A 4 -2.492 -10.771 -3.968 1.00 0.00 O ATOM 60 CB THR A 4 -4.724 -10.924 -6.346 1.00 0.00 C ATOM 61 OG1 THR A 4 -4.472 -9.550 -6.670 1.00 0.00 O ATOM 62 CG2 THR A 4 -6.048 -11.353 -6.955 1.00 0.00 C ATOM 0 H THR A 4 -5.085 -9.056 -4.743 1.00 0.00 H new ATOM 0 HA THR A 4 -5.445 -11.883 -4.545 1.00 0.00 H new ATOM 0 HB THR A 4 -3.935 -11.552 -6.761 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.472 -9.438 -7.644 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.016 -11.207 -8.035 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.225 -12.406 -6.736 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.854 -10.754 -6.532 1.00 0.00 H new ATOM 70 N PRO A 5 -3.101 -12.902 -4.397 1.00 0.00 N ATOM 71 CA PRO A 5 -1.831 -13.495 -3.964 1.00 0.00 C ATOM 72 C PRO A 5 -0.652 -13.015 -4.801 1.00 0.00 C ATOM 73 O PRO A 5 0.468 -12.906 -4.302 1.00 0.00 O ATOM 74 CB PRO A 5 -2.041 -15.001 -4.156 1.00 0.00 C ATOM 75 CG PRO A 5 -3.180 -15.124 -5.106 1.00 0.00 C ATOM 76 CD PRO A 5 -4.049 -13.923 -4.871 1.00 0.00 C ATOM 0 HA PRO A 5 -1.589 -13.217 -2.938 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.144 -15.475 -4.555 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.265 -15.490 -3.208 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -2.826 -15.154 -6.137 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -3.734 -16.046 -4.933 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -4.555 -13.608 -5.784 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.823 -14.126 -4.131 1.00 0.00 H new ATOM 84 N ASP A 6 -0.910 -12.724 -6.071 1.00 0.00 N ATOM 85 CA ASP A 6 0.117 -12.222 -6.962 1.00 0.00 C ATOM 86 C ASP A 6 0.570 -10.831 -6.530 1.00 0.00 C ATOM 87 O ASP A 6 1.738 -10.479 -6.681 1.00 0.00 O ATOM 88 CB ASP A 6 -0.389 -12.211 -8.405 1.00 0.00 C ATOM 89 CG ASP A 6 -1.611 -11.341 -8.606 1.00 0.00 C ATOM 90 OD1 ASP A 6 -2.732 -11.828 -8.359 1.00 0.00 O ATOM 91 OD2 ASP A 6 -1.457 -10.170 -9.023 1.00 0.00 O ATOM 0 H ASP A 6 -1.828 -12.829 -6.504 1.00 0.00 H new ATOM 0 HA ASP A 6 0.979 -12.887 -6.909 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.409 -11.861 -9.060 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.625 -13.231 -8.708 1.00 0.00 H new ATOM 96 N ILE A 7 -0.346 -10.047 -5.974 1.00 0.00 N ATOM 97 CA ILE A 7 0.005 -8.744 -5.425 1.00 0.00 C ATOM 98 C ILE A 7 0.879 -8.925 -4.191 1.00 0.00 C ATOM 99 O ILE A 7 1.899 -8.260 -4.041 1.00 0.00 O ATOM 100 CB ILE A 7 -1.250 -7.918 -5.052 1.00 0.00 C ATOM 101 CG1 ILE A 7 -2.097 -7.626 -6.295 1.00 0.00 C ATOM 102 CG2 ILE A 7 -0.858 -6.618 -4.362 1.00 0.00 C ATOM 103 CD1 ILE A 7 -1.388 -6.795 -7.343 1.00 0.00 C ATOM 0 H ILE A 7 -1.333 -10.290 -5.892 1.00 0.00 H new ATOM 0 HA ILE A 7 0.550 -8.197 -6.194 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.847 -8.509 -4.358 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.404 -8.571 -6.743 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.006 -7.108 -5.989 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.756 -6.055 -4.110 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.303 -6.843 -3.451 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.234 -6.025 -5.031 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.054 -6.632 -8.190 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.105 -5.834 -6.915 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.494 -7.320 -7.680 1.00 0.00 H new ATOM 115 N LEU A 8 0.483 -9.858 -3.327 1.00 0.00 N ATOM 116 CA LEU A 8 1.251 -10.175 -2.125 1.00 0.00 C ATOM 117 C LEU A 8 2.665 -10.629 -2.488 1.00 0.00 C ATOM 118 O LEU A 8 3.635 -10.295 -1.803 1.00 0.00 O ATOM 119 CB LEU A 8 0.544 -11.264 -1.317 1.00 0.00 C ATOM 120 CG LEU A 8 -0.847 -10.892 -0.800 1.00 0.00 C ATOM 121 CD1 LEU A 8 -1.498 -12.083 -0.113 1.00 0.00 C ATOM 122 CD2 LEU A 8 -0.765 -9.707 0.151 1.00 0.00 C ATOM 0 H LEU A 8 -0.368 -10.409 -3.438 1.00 0.00 H new ATOM 0 HA LEU A 8 1.323 -9.272 -1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.457 -12.156 -1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.172 -11.528 -0.466 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.464 -10.607 -1.652 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.487 -11.799 0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.593 -12.905 -0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.881 -12.399 0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.764 -9.457 0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.130 -9.964 0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.342 -8.849 -0.372 1.00 0.00 H new ATOM 134 N ASP A 9 2.772 -11.389 -3.572 1.00 0.00 N ATOM 135 CA ASP A 9 4.066 -11.830 -4.082 1.00 0.00 C ATOM 136 C ASP A 9 4.898 -10.637 -4.526 1.00 0.00 C ATOM 137 O ASP A 9 6.073 -10.517 -4.187 1.00 0.00 O ATOM 138 CB ASP A 9 3.872 -12.789 -5.253 1.00 0.00 C ATOM 139 CG ASP A 9 5.185 -13.238 -5.862 1.00 0.00 C ATOM 140 OD1 ASP A 9 5.922 -14.001 -5.205 1.00 0.00 O ATOM 141 OD2 ASP A 9 5.485 -12.827 -6.999 1.00 0.00 O ATOM 0 H ASP A 9 1.974 -11.714 -4.117 1.00 0.00 H new ATOM 0 HA ASP A 9 4.593 -12.347 -3.280 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.315 -13.663 -4.914 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.268 -12.304 -6.019 1.00 0.00 H new ATOM 146 N GLN A 10 4.274 -9.753 -5.281 1.00 0.00 N ATOM 147 CA GLN A 10 4.921 -8.527 -5.722 1.00 0.00 C ATOM 148 C GLN A 10 5.347 -7.667 -4.530 1.00 0.00 C ATOM 149 O GLN A 10 6.351 -6.961 -4.597 1.00 0.00 O ATOM 150 CB GLN A 10 3.981 -7.752 -6.644 1.00 0.00 C ATOM 151 CG GLN A 10 3.697 -8.488 -7.944 1.00 0.00 C ATOM 152 CD GLN A 10 2.623 -7.824 -8.778 1.00 0.00 C ATOM 153 OE1 GLN A 10 2.900 -6.965 -9.615 1.00 0.00 O ATOM 154 NE2 GLN A 10 1.387 -8.235 -8.565 1.00 0.00 N ATOM 0 H GLN A 10 3.313 -9.860 -5.605 1.00 0.00 H new ATOM 0 HA GLN A 10 5.823 -8.788 -6.275 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.041 -7.565 -6.124 1.00 0.00 H new ATOM 0 HB3 GLN A 10 4.420 -6.780 -6.870 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.615 -8.550 -8.528 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.393 -9.510 -7.717 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.201 -8.950 -7.861 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.618 -7.838 -9.104 1.00 0.00 H new ATOM 163 N ILE A 11 4.592 -7.741 -3.440 1.00 0.00 N ATOM 164 CA ILE A 11 4.936 -7.014 -2.223 1.00 0.00 C ATOM 165 C ILE A 11 6.208 -7.578 -1.583 1.00 0.00 C ATOM 166 O ILE A 11 7.130 -6.828 -1.259 1.00 0.00 O ATOM 167 CB ILE A 11 3.787 -7.045 -1.186 1.00 0.00 C ATOM 168 CG1 ILE A 11 2.545 -6.350 -1.744 1.00 0.00 C ATOM 169 CG2 ILE A 11 4.220 -6.383 0.116 1.00 0.00 C ATOM 170 CD1 ILE A 11 1.347 -6.388 -0.818 1.00 0.00 C ATOM 0 H ILE A 11 3.739 -8.296 -3.374 1.00 0.00 H new ATOM 0 HA ILE A 11 5.108 -5.979 -2.519 1.00 0.00 H new ATOM 0 HB ILE A 11 3.542 -8.087 -0.979 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.790 -5.310 -1.961 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.274 -6.818 -2.690 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.398 -6.415 0.831 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.079 -6.914 0.526 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.493 -5.345 -0.077 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.508 -5.874 -1.287 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.073 -7.424 -0.620 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.597 -5.893 0.121 1.00 0.00 H new ATOM 182 N ARG A 12 6.267 -8.899 -1.419 1.00 0.00 N ATOM 183 CA ARG A 12 7.421 -9.533 -0.778 1.00 0.00 C ATOM 184 C ARG A 12 8.686 -9.329 -1.614 1.00 0.00 C ATOM 185 O ARG A 12 9.772 -9.131 -1.070 1.00 0.00 O ATOM 186 CB ARG A 12 7.171 -11.033 -0.531 1.00 0.00 C ATOM 187 CG ARG A 12 7.085 -11.867 -1.797 1.00 0.00 C ATOM 188 CD ARG A 12 6.920 -13.345 -1.499 1.00 0.00 C ATOM 189 NE ARG A 12 6.977 -14.148 -2.718 1.00 0.00 N ATOM 190 CZ ARG A 12 7.796 -15.180 -2.895 1.00 0.00 C ATOM 191 NH1 ARG A 12 8.614 -15.558 -1.920 1.00 0.00 N ATOM 192 NH2 ARG A 12 7.794 -15.831 -4.051 1.00 0.00 N ATOM 0 H ARG A 12 5.538 -9.547 -1.717 1.00 0.00 H new ATOM 0 HA ARG A 12 7.566 -9.054 0.190 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.973 -11.425 0.095 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.243 -11.148 0.030 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.244 -11.524 -2.400 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.986 -11.716 -2.391 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.703 -13.668 -0.813 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.967 -13.512 -0.997 1.00 0.00 H new ATOM 0 HE ARG A 12 6.348 -13.901 -3.482 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.615 -15.056 -1.032 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.241 -16.350 -2.059 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.166 -15.539 -4.800 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.421 -16.623 -4.191 1.00 0.00 H new ATOM 206 N VAL A 13 8.543 -9.362 -2.935 1.00 0.00 N ATOM 207 CA VAL A 13 9.664 -9.101 -3.828 1.00 0.00 C ATOM 208 C VAL A 13 10.065 -7.631 -3.742 1.00 0.00 C ATOM 209 O VAL A 13 11.250 -7.297 -3.725 1.00 0.00 O ATOM 210 CB VAL A 13 9.329 -9.474 -5.291 1.00 0.00 C ATOM 211 CG1 VAL A 13 10.485 -9.126 -6.220 1.00 0.00 C ATOM 212 CG2 VAL A 13 8.988 -10.954 -5.401 1.00 0.00 C ATOM 0 H VAL A 13 7.663 -9.567 -3.409 1.00 0.00 H new ATOM 0 HA VAL A 13 10.498 -9.727 -3.509 1.00 0.00 H new ATOM 0 HB VAL A 13 8.459 -8.893 -5.596 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.224 -9.398 -7.243 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.683 -8.055 -6.169 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.376 -9.675 -5.914 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.755 -11.198 -6.438 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.839 -11.549 -5.071 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.125 -11.176 -4.773 1.00 0.00 H new ATOM 222 N HIS A 14 9.062 -6.763 -3.644 1.00 0.00 N ATOM 223 CA HIS A 14 9.284 -5.327 -3.519 1.00 0.00 C ATOM 224 C HIS A 14 10.115 -4.997 -2.280 1.00 0.00 C ATOM 225 O HIS A 14 10.830 -3.999 -2.259 1.00 0.00 O ATOM 226 CB HIS A 14 7.940 -4.589 -3.465 1.00 0.00 C ATOM 227 CG HIS A 14 8.048 -3.125 -3.159 1.00 0.00 C ATOM 228 ND1 HIS A 14 8.454 -2.188 -4.084 1.00 0.00 N ATOM 229 CD2 HIS A 14 7.800 -2.441 -2.018 1.00 0.00 C ATOM 230 CE1 HIS A 14 8.452 -0.994 -3.526 1.00 0.00 C ATOM 231 NE2 HIS A 14 8.059 -1.117 -2.272 1.00 0.00 N ATOM 0 H HIS A 14 8.079 -7.034 -3.649 1.00 0.00 H new ATOM 0 HA HIS A 14 9.842 -4.996 -4.395 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.434 -4.711 -4.423 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.311 -5.060 -2.710 1.00 0.00 H new ATOM 0 HD2 HIS A 14 7.461 -2.859 -1.082 1.00 0.00 H new ATOM 0 HE1 HIS A 14 8.726 -0.070 -4.013 1.00 0.00 H new ATOM 0 HE2 HIS A 14 7.963 -0.354 -1.602 1.00 0.00 H new ATOM 240 N GLY A 15 10.012 -5.829 -1.252 1.00 0.00 N ATOM 241 CA GLY A 15 10.799 -5.617 -0.052 1.00 0.00 C ATOM 242 C GLY A 15 12.289 -5.657 -0.336 1.00 0.00 C ATOM 243 O GLY A 15 13.038 -4.787 0.102 1.00 0.00 O ATOM 0 H GLY A 15 9.400 -6.644 -1.227 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.539 -4.654 0.387 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.550 -6.380 0.685 1.00 0.00 H new ATOM 247 N ALA A 16 12.715 -6.670 -1.072 1.00 0.00 N ATOM 248 CA ALA A 16 14.110 -6.798 -1.469 1.00 0.00 C ATOM 249 C ALA A 16 14.455 -5.808 -2.579 1.00 0.00 C ATOM 250 O ALA A 16 15.549 -5.247 -2.615 1.00 0.00 O ATOM 251 CB ALA A 16 14.393 -8.221 -1.926 1.00 0.00 C ATOM 0 H ALA A 16 12.112 -7.420 -1.409 1.00 0.00 H new ATOM 0 HA ALA A 16 14.735 -6.570 -0.605 1.00 0.00 H new ATOM 0 HB1 ALA A 16 15.439 -8.307 -2.221 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.188 -8.913 -1.109 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.755 -8.464 -2.776 1.00 0.00 H new ATOM 257 N ASP A 17 13.499 -5.600 -3.475 1.00 0.00 N ATOM 258 CA ASP A 17 13.699 -4.772 -4.665 1.00 0.00 C ATOM 259 C ASP A 17 13.902 -3.308 -4.317 1.00 0.00 C ATOM 260 O ASP A 17 14.723 -2.620 -4.923 1.00 0.00 O ATOM 261 CB ASP A 17 12.475 -4.897 -5.569 1.00 0.00 C ATOM 262 CG ASP A 17 12.577 -4.063 -6.832 1.00 0.00 C ATOM 263 OD1 ASP A 17 13.102 -4.565 -7.848 1.00 0.00 O ATOM 264 OD2 ASP A 17 12.109 -2.904 -6.821 1.00 0.00 O ATOM 0 H ASP A 17 12.563 -5.998 -3.401 1.00 0.00 H new ATOM 0 HA ASP A 17 14.599 -5.126 -5.168 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.339 -5.943 -5.842 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.588 -4.595 -5.012 1.00 0.00 H new ATOM 269 N ALA A 18 13.146 -2.846 -3.344 1.00 0.00 N ATOM 270 CA ALA A 18 13.189 -1.447 -2.946 1.00 0.00 C ATOM 271 C ALA A 18 14.437 -1.130 -2.135 1.00 0.00 C ATOM 272 O ALA A 18 15.044 -0.073 -2.304 1.00 0.00 O ATOM 273 CB ALA A 18 11.946 -1.086 -2.154 1.00 0.00 C ATOM 0 H ALA A 18 12.491 -3.417 -2.810 1.00 0.00 H new ATOM 0 HA ALA A 18 13.222 -0.847 -3.856 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.992 -0.037 -1.863 1.00 0.00 H new ATOM 0 HB2 ALA A 18 11.062 -1.254 -2.769 1.00 0.00 H new ATOM 0 HB3 ALA A 18 11.890 -1.708 -1.261 1.00 0.00 H new ATOM 279 N TYR A 19 14.825 -2.057 -1.275 1.00 0.00 N ATOM 280 CA TYR A 19 15.940 -1.830 -0.369 1.00 0.00 C ATOM 281 C TYR A 19 17.269 -1.824 -1.115 1.00 0.00 C ATOM 282 O TYR A 19 17.368 -2.352 -2.223 1.00 0.00 O ATOM 283 CB TYR A 19 15.928 -2.869 0.754 1.00 0.00 C ATOM 284 CG TYR A 19 15.056 -2.447 1.914 1.00 0.00 C ATOM 285 CD1 TYR A 19 13.689 -2.276 1.750 1.00 0.00 C ATOM 286 CD2 TYR A 19 15.603 -2.200 3.166 1.00 0.00 C ATOM 287 CE1 TYR A 19 12.891 -1.869 2.798 1.00 0.00 C ATOM 288 CE2 TYR A 19 14.809 -1.797 4.223 1.00 0.00 C ATOM 289 CZ TYR A 19 13.454 -1.633 4.032 1.00 0.00 C ATOM 290 OH TYR A 19 12.658 -1.221 5.076 1.00 0.00 O ATOM 0 H TYR A 19 14.385 -2.973 -1.185 1.00 0.00 H new ATOM 0 HA TYR A 19 15.824 -0.844 0.080 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.571 -3.821 0.362 1.00 0.00 H new ATOM 0 HB3 TYR A 19 16.946 -3.031 1.107 1.00 0.00 H new ATOM 0 HD1 TYR A 19 13.242 -2.465 0.785 1.00 0.00 H new ATOM 0 HD2 TYR A 19 16.665 -2.325 3.316 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.829 -1.736 2.652 1.00 0.00 H new ATOM 0 HE2 TYR A 19 15.248 -1.612 5.192 1.00 0.00 H new ATOM 0 HH TYR A 19 13.208 -1.099 5.878 1.00 0.00 H new ATOM 300 N PRO A 20 18.318 -1.220 -0.525 1.00 0.00 N ATOM 301 CA PRO A 20 18.284 -0.648 0.836 1.00 0.00 C ATOM 302 C PRO A 20 17.489 0.658 0.949 1.00 0.00 C ATOM 303 O PRO A 20 17.325 1.194 2.047 1.00 0.00 O ATOM 304 CB PRO A 20 19.760 -0.395 1.139 1.00 0.00 C ATOM 305 CG PRO A 20 20.389 -0.180 -0.190 1.00 0.00 C ATOM 306 CD PRO A 20 19.643 -1.061 -1.152 1.00 0.00 C ATOM 0 HA PRO A 20 17.781 -1.321 1.530 1.00 0.00 H new ATOM 0 HB2 PRO A 20 19.888 0.475 1.783 1.00 0.00 H new ATOM 0 HB3 PRO A 20 20.209 -1.243 1.656 1.00 0.00 H new ATOM 0 HG2 PRO A 20 20.322 0.866 -0.488 1.00 0.00 H new ATOM 0 HG3 PRO A 20 21.448 -0.438 -0.166 1.00 0.00 H new ATOM 0 HD2 PRO A 20 19.567 -0.603 -2.138 1.00 0.00 H new ATOM 0 HD3 PRO A 20 20.141 -2.021 -1.284 1.00 0.00 H new ATOM 314 N GLU A 21 17.003 1.168 -0.175 1.00 0.00 N ATOM 315 CA GLU A 21 16.232 2.406 -0.178 1.00 0.00 C ATOM 316 C GLU A 21 14.889 2.224 0.523 1.00 0.00 C ATOM 317 O GLU A 21 14.381 1.107 0.649 1.00 0.00 O ATOM 318 CB GLU A 21 16.011 2.898 -1.607 1.00 0.00 C ATOM 319 CG GLU A 21 17.278 3.374 -2.288 1.00 0.00 C ATOM 320 CD GLU A 21 17.041 3.798 -3.721 1.00 0.00 C ATOM 321 OE1 GLU A 21 16.095 4.573 -3.972 1.00 0.00 O ATOM 322 OE2 GLU A 21 17.795 3.349 -4.608 1.00 0.00 O ATOM 0 H GLU A 21 17.128 0.745 -1.095 1.00 0.00 H new ATOM 0 HA GLU A 21 16.806 3.153 0.370 1.00 0.00 H new ATOM 0 HB2 GLU A 21 15.573 2.092 -2.196 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.287 3.713 -1.594 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.695 4.212 -1.729 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.020 2.576 -2.267 1.00 0.00 H new ATOM 329 N GLU A 22 14.329 3.333 0.988 1.00 0.00 N ATOM 330 CA GLU A 22 13.038 3.320 1.656 1.00 0.00 C ATOM 331 C GLU A 22 11.932 3.045 0.641 1.00 0.00 C ATOM 332 O GLU A 22 11.491 3.948 -0.075 1.00 0.00 O ATOM 333 CB GLU A 22 12.773 4.654 2.376 1.00 0.00 C ATOM 334 CG GLU A 22 13.743 4.970 3.512 1.00 0.00 C ATOM 335 CD GLU A 22 15.142 5.310 3.033 1.00 0.00 C ATOM 336 OE1 GLU A 22 15.350 6.435 2.541 1.00 0.00 O ATOM 337 OE2 GLU A 22 16.039 4.444 3.140 1.00 0.00 O ATOM 0 H GLU A 22 14.753 4.258 0.913 1.00 0.00 H new ATOM 0 HA GLU A 22 13.048 2.527 2.404 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.816 5.461 1.644 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.759 4.640 2.776 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.352 5.806 4.091 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.795 4.113 4.184 1.00 0.00 H new ATOM 344 N GLY A 23 11.501 1.792 0.571 1.00 0.00 N ATOM 345 CA GLY A 23 10.521 1.392 -0.420 1.00 0.00 C ATOM 346 C GLY A 23 9.097 1.711 -0.014 1.00 0.00 C ATOM 347 O GLY A 23 8.226 0.840 -0.053 1.00 0.00 O ATOM 0 H GLY A 23 11.815 1.042 1.187 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.743 1.891 -1.363 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.610 0.320 -0.597 1.00 0.00 H new ATOM 351 N CYS A 24 8.864 2.964 0.347 1.00 0.00 N ATOM 352 CA CYS A 24 7.547 3.422 0.772 1.00 0.00 C ATOM 353 C CYS A 24 6.556 3.422 -0.390 1.00 0.00 C ATOM 354 O CYS A 24 6.946 3.537 -1.560 1.00 0.00 O ATOM 355 CB CYS A 24 7.665 4.824 1.369 1.00 0.00 C ATOM 356 SG CYS A 24 8.699 5.942 0.396 1.00 0.00 S ATOM 0 H CYS A 24 9.579 3.691 0.354 1.00 0.00 H new ATOM 0 HA CYS A 24 7.168 2.734 1.527 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.668 5.255 1.463 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.075 4.747 2.376 1.00 0.00 H new ATOM 0 HG CYS A 24 8.742 7.106 0.973 1.00 0.00 H new ATOM 362 N GLY A 25 5.283 3.285 -0.055 1.00 0.00 N ATOM 363 CA GLY A 25 4.237 3.280 -1.052 1.00 0.00 C ATOM 364 C GLY A 25 2.864 3.223 -0.418 1.00 0.00 C ATOM 365 O GLY A 25 2.744 3.111 0.804 1.00 0.00 O ATOM 0 H GLY A 25 4.954 3.176 0.904 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.317 4.175 -1.669 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.369 2.424 -1.714 1.00 0.00 H new ATOM 369 N PHE A 26 1.830 3.297 -1.238 1.00 0.00 N ATOM 370 CA PHE A 26 0.461 3.260 -0.745 1.00 0.00 C ATOM 371 C PHE A 26 -0.315 2.139 -1.416 1.00 0.00 C ATOM 372 O PHE A 26 0.078 1.647 -2.477 1.00 0.00 O ATOM 373 CB PHE A 26 -0.240 4.601 -0.988 1.00 0.00 C ATOM 374 CG PHE A 26 0.313 5.735 -0.170 1.00 0.00 C ATOM 375 CD1 PHE A 26 -0.197 6.012 1.088 1.00 0.00 C ATOM 376 CD2 PHE A 26 1.339 6.526 -0.661 1.00 0.00 C ATOM 377 CE1 PHE A 26 0.306 7.056 1.841 1.00 0.00 C ATOM 378 CE2 PHE A 26 1.846 7.571 0.089 1.00 0.00 C ATOM 379 CZ PHE A 26 1.329 7.836 1.340 1.00 0.00 C ATOM 0 H PHE A 26 1.911 3.383 -2.251 1.00 0.00 H new ATOM 0 HA PHE A 26 0.492 3.074 0.329 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.160 4.855 -2.045 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.302 4.490 -0.767 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.997 5.405 1.485 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.747 6.324 -1.640 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.101 7.261 2.820 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.647 8.180 -0.305 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.724 8.652 1.927 1.00 0.00 H new ATOM 389 N LEU A 27 -1.417 1.745 -0.796 1.00 0.00 N ATOM 390 CA LEU A 27 -2.269 0.700 -1.338 1.00 0.00 C ATOM 391 C LEU A 27 -3.385 1.327 -2.156 1.00 0.00 C ATOM 392 O LEU A 27 -4.259 2.005 -1.609 1.00 0.00 O ATOM 393 CB LEU A 27 -2.866 -0.149 -0.211 1.00 0.00 C ATOM 394 CG LEU A 27 -1.847 -0.843 0.693 1.00 0.00 C ATOM 395 CD1 LEU A 27 -2.553 -1.538 1.843 1.00 0.00 C ATOM 396 CD2 LEU A 27 -1.018 -1.841 -0.102 1.00 0.00 C ATOM 0 H LEU A 27 -1.743 2.136 0.088 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.667 0.053 -1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.499 0.489 0.406 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.512 -0.908 -0.653 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.175 -0.088 1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.816 -2.028 2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.106 -0.803 2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.245 -2.282 1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.299 -2.325 0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.675 -2.594 -0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.486 -1.320 -0.898 1.00 0.00 H new ATOM 408 N LEU A 28 -3.348 1.117 -3.460 1.00 0.00 N ATOM 409 CA LEU A 28 -4.335 1.709 -4.344 1.00 0.00 C ATOM 410 C LEU A 28 -5.340 0.660 -4.796 1.00 0.00 C ATOM 411 O LEU A 28 -4.970 -0.441 -5.209 1.00 0.00 O ATOM 412 CB LEU A 28 -3.651 2.346 -5.558 1.00 0.00 C ATOM 413 CG LEU A 28 -2.546 3.356 -5.231 1.00 0.00 C ATOM 414 CD1 LEU A 28 -2.010 3.990 -6.504 1.00 0.00 C ATOM 415 CD2 LEU A 28 -3.058 4.426 -4.276 1.00 0.00 C ATOM 0 H LEU A 28 -2.647 0.543 -3.929 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.867 2.487 -3.796 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.225 1.553 -6.172 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.409 2.845 -6.162 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.731 2.823 -4.741 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.226 4.704 -6.253 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.600 3.215 -7.152 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.819 4.506 -7.022 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.257 5.132 -4.058 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.893 4.955 -4.736 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.391 3.958 -3.350 1.00 0.00 H new ATOM 427 N GLY A 29 -6.610 1.001 -4.709 1.00 0.00 N ATOM 428 CA GLY A 29 -7.652 0.080 -5.099 1.00 0.00 C ATOM 429 C GLY A 29 -9.007 0.736 -5.071 1.00 0.00 C ATOM 430 O GLY A 29 -9.121 1.929 -5.347 1.00 0.00 O ATOM 0 H GLY A 29 -6.942 1.905 -4.373 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.450 -0.297 -6.102 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.649 -0.780 -4.429 1.00 0.00 H new ATOM 434 N THR A 30 -10.030 -0.024 -4.728 1.00 0.00 N ATOM 435 CA THR A 30 -11.376 0.514 -4.666 1.00 0.00 C ATOM 436 C THR A 30 -12.037 0.161 -3.345 1.00 0.00 C ATOM 437 O THR A 30 -11.626 -0.787 -2.664 1.00 0.00 O ATOM 438 CB THR A 30 -12.253 -0.005 -5.827 1.00 0.00 C ATOM 439 OG1 THR A 30 -12.120 -1.429 -5.957 1.00 0.00 O ATOM 440 CG2 THR A 30 -11.877 0.669 -7.139 1.00 0.00 C ATOM 0 H THR A 30 -9.955 -1.013 -4.489 1.00 0.00 H new ATOM 0 HA THR A 30 -11.289 1.597 -4.753 1.00 0.00 H new ATOM 0 HB THR A 30 -13.290 0.238 -5.597 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.682 -1.744 -6.695 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.510 0.285 -7.939 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.019 1.746 -7.049 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.833 0.459 -7.370 1.00 0.00 H new ATOM 448 N VAL A 31 -13.065 0.914 -2.985 1.00 0.00 N ATOM 449 CA VAL A 31 -13.831 0.611 -1.793 1.00 0.00 C ATOM 450 C VAL A 31 -14.936 -0.357 -2.160 1.00 0.00 C ATOM 451 O VAL A 31 -15.923 0.002 -2.802 1.00 0.00 O ATOM 452 CB VAL A 31 -14.442 1.871 -1.151 1.00 0.00 C ATOM 453 CG1 VAL A 31 -15.223 1.522 0.112 1.00 0.00 C ATOM 454 CG2 VAL A 31 -13.359 2.895 -0.848 1.00 0.00 C ATOM 0 H VAL A 31 -13.384 1.734 -3.500 1.00 0.00 H new ATOM 0 HA VAL A 31 -13.155 0.172 -1.059 1.00 0.00 H new ATOM 0 HB VAL A 31 -15.140 2.308 -1.865 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -15.643 2.431 0.543 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -16.030 0.833 -0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -14.555 1.052 0.834 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -13.810 3.778 -0.395 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -12.633 2.464 -0.159 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.857 3.178 -1.773 1.00 0.00 H new ATOM 464 N THR A 32 -14.739 -1.586 -1.751 1.00 0.00 N ATOM 465 CA THR A 32 -15.607 -2.681 -2.122 1.00 0.00 C ATOM 466 C THR A 32 -16.589 -2.966 -1.005 1.00 0.00 C ATOM 467 O THR A 32 -16.307 -2.666 0.159 1.00 0.00 O ATOM 468 CB THR A 32 -14.776 -3.942 -2.432 1.00 0.00 C ATOM 469 OG1 THR A 32 -15.622 -5.081 -2.641 1.00 0.00 O ATOM 470 CG2 THR A 32 -13.793 -4.228 -1.311 1.00 0.00 C ATOM 0 H THR A 32 -13.965 -1.859 -1.145 1.00 0.00 H new ATOM 0 HA THR A 32 -16.161 -2.400 -3.018 1.00 0.00 H new ATOM 0 HB THR A 32 -14.219 -3.752 -3.350 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.820 -5.504 -1.779 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.217 -5.122 -1.551 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.117 -3.381 -1.195 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.338 -4.387 -0.381 1.00 0.00 H new ATOM 478 N ASP A 33 -17.757 -3.499 -1.370 1.00 0.00 N ATOM 479 CA ASP A 33 -18.799 -3.844 -0.404 1.00 0.00 C ATOM 480 C ASP A 33 -19.381 -2.582 0.225 1.00 0.00 C ATOM 481 O ASP A 33 -20.297 -2.641 1.039 1.00 0.00 O ATOM 482 CB ASP A 33 -18.236 -4.744 0.696 1.00 0.00 C ATOM 483 CG ASP A 33 -17.748 -6.095 0.197 1.00 0.00 C ATOM 484 OD1 ASP A 33 -16.648 -6.160 -0.405 1.00 0.00 O ATOM 485 OD2 ASP A 33 -18.445 -7.108 0.432 1.00 0.00 O ATOM 0 H ASP A 33 -18.005 -3.702 -2.338 1.00 0.00 H new ATOM 0 HA ASP A 33 -19.587 -4.379 -0.935 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -17.410 -4.229 1.186 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -19.006 -4.903 1.451 1.00 0.00 H new ATOM 490 N ASP A 34 -18.836 -1.450 -0.200 1.00 0.00 N ATOM 491 CA ASP A 34 -19.099 -0.144 0.400 1.00 0.00 C ATOM 492 C ASP A 34 -18.870 -0.216 1.897 1.00 0.00 C ATOM 493 O ASP A 34 -19.782 -0.046 2.707 1.00 0.00 O ATOM 494 CB ASP A 34 -20.500 0.362 0.085 1.00 0.00 C ATOM 495 CG ASP A 34 -20.625 1.863 0.285 1.00 0.00 C ATOM 496 OD1 ASP A 34 -20.227 2.618 -0.633 1.00 0.00 O ATOM 497 OD2 ASP A 34 -21.120 2.300 1.345 1.00 0.00 O ATOM 0 H ASP A 34 -18.187 -1.410 -0.986 1.00 0.00 H new ATOM 0 HA ASP A 34 -18.404 0.574 -0.036 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -20.752 0.112 -0.946 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -21.221 -0.149 0.722 1.00 0.00 H new ATOM 502 N GLY A 35 -17.637 -0.516 2.243 1.00 0.00 N ATOM 503 CA GLY A 35 -17.256 -0.640 3.630 1.00 0.00 C ATOM 504 C GLY A 35 -15.874 -1.234 3.786 1.00 0.00 C ATOM 505 O GLY A 35 -15.151 -0.904 4.727 1.00 0.00 O ATOM 0 H GLY A 35 -16.880 -0.679 1.579 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -17.284 0.342 4.103 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -17.981 -1.266 4.151 1.00 0.00 H new ATOM 509 N ASP A 36 -15.504 -2.105 2.859 1.00 0.00 N ATOM 510 CA ASP A 36 -14.190 -2.730 2.885 1.00 0.00 C ATOM 511 C ASP A 36 -13.321 -2.135 1.779 1.00 0.00 C ATOM 512 O ASP A 36 -13.780 -1.292 1.009 1.00 0.00 O ATOM 513 CB ASP A 36 -14.316 -4.252 2.729 1.00 0.00 C ATOM 514 CG ASP A 36 -13.064 -4.991 3.169 1.00 0.00 C ATOM 515 OD1 ASP A 36 -12.958 -5.341 4.361 1.00 0.00 O ATOM 516 OD2 ASP A 36 -12.178 -5.226 2.325 1.00 0.00 O ATOM 0 H ASP A 36 -16.095 -2.395 2.080 1.00 0.00 H new ATOM 0 HA ASP A 36 -13.716 -2.534 3.847 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -15.166 -4.604 3.314 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -14.526 -4.490 1.686 1.00 0.00 H new ATOM 521 N ASN A 37 -12.081 -2.575 1.695 1.00 0.00 N ATOM 522 CA ASN A 37 -11.112 -1.991 0.786 1.00 0.00 C ATOM 523 C ASN A 37 -10.296 -3.072 0.082 1.00 0.00 C ATOM 524 O ASN A 37 -9.741 -3.966 0.721 1.00 0.00 O ATOM 525 CB ASN A 37 -10.189 -1.040 1.560 1.00 0.00 C ATOM 526 CG ASN A 37 -9.458 -1.701 2.727 1.00 0.00 C ATOM 527 OD1 ASN A 37 -9.921 -2.685 3.309 1.00 0.00 O ATOM 528 ND2 ASN A 37 -8.315 -1.145 3.096 1.00 0.00 N ATOM 0 H ASN A 37 -11.716 -3.346 2.254 1.00 0.00 H new ATOM 0 HA ASN A 37 -11.648 -1.430 0.020 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.453 -0.624 0.872 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.779 -0.206 1.939 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.791 -1.530 3.882 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.958 -0.332 2.594 1.00 0.00 H new ATOM 535 N ARG A 38 -10.231 -3.008 -1.239 1.00 0.00 N ATOM 536 CA ARG A 38 -9.437 -3.967 -1.987 1.00 0.00 C ATOM 537 C ARG A 38 -8.294 -3.274 -2.703 1.00 0.00 C ATOM 538 O ARG A 38 -8.418 -2.135 -3.152 1.00 0.00 O ATOM 539 CB ARG A 38 -10.274 -4.777 -2.980 1.00 0.00 C ATOM 540 CG ARG A 38 -10.647 -4.032 -4.240 1.00 0.00 C ATOM 541 CD ARG A 38 -11.502 -4.897 -5.159 1.00 0.00 C ATOM 542 NE ARG A 38 -12.708 -5.395 -4.493 1.00 0.00 N ATOM 543 CZ ARG A 38 -12.951 -6.688 -4.247 1.00 0.00 C ATOM 544 NH1 ARG A 38 -12.057 -7.615 -4.575 1.00 0.00 N ATOM 545 NH2 ARG A 38 -14.090 -7.050 -3.664 1.00 0.00 N ATOM 0 H ARG A 38 -10.712 -2.311 -1.808 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.030 -4.671 -1.261 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.720 -5.675 -3.255 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.187 -5.105 -2.483 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.191 -3.124 -3.981 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.743 -3.723 -4.764 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.788 -4.318 -6.037 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.911 -5.741 -5.513 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.407 -4.713 -4.198 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.179 -7.343 -5.017 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.249 -8.599 -4.385 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.778 -6.343 -3.405 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.276 -8.035 -3.476 1.00 0.00 H new ATOM 559 N VAL A 39 -7.185 -3.972 -2.792 1.00 0.00 N ATOM 560 CA VAL A 39 -5.977 -3.434 -3.392 1.00 0.00 C ATOM 561 C VAL A 39 -5.812 -3.974 -4.804 1.00 0.00 C ATOM 562 O VAL A 39 -5.677 -5.183 -5.006 1.00 0.00 O ATOM 563 CB VAL A 39 -4.725 -3.786 -2.558 1.00 0.00 C ATOM 564 CG1 VAL A 39 -3.477 -3.155 -3.157 1.00 0.00 C ATOM 565 CG2 VAL A 39 -4.906 -3.352 -1.112 1.00 0.00 C ATOM 0 H VAL A 39 -7.091 -4.929 -2.452 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.076 -2.349 -3.420 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.598 -4.868 -2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.610 -3.418 -2.551 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.335 -3.523 -4.173 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.591 -2.071 -3.176 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.014 -3.609 -0.541 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.065 -2.274 -1.073 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.769 -3.862 -0.685 1.00 0.00 H new ATOM 575 N ALA A 40 -5.828 -3.076 -5.776 1.00 0.00 N ATOM 576 CA ALA A 40 -5.750 -3.465 -7.174 1.00 0.00 C ATOM 577 C ALA A 40 -4.391 -3.121 -7.774 1.00 0.00 C ATOM 578 O ALA A 40 -3.955 -3.747 -8.741 1.00 0.00 O ATOM 579 CB ALA A 40 -6.865 -2.798 -7.966 1.00 0.00 C ATOM 0 H ALA A 40 -5.895 -2.070 -5.621 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.872 -4.547 -7.230 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.797 -3.096 -9.012 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.831 -3.104 -7.563 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.767 -1.715 -7.891 1.00 0.00 H new ATOM 585 N ALA A 41 -3.717 -2.134 -7.196 1.00 0.00 N ATOM 586 CA ALA A 41 -2.443 -1.683 -7.729 1.00 0.00 C ATOM 587 C ALA A 41 -1.567 -1.087 -6.637 1.00 0.00 C ATOM 588 O ALA A 41 -2.059 -0.598 -5.620 1.00 0.00 O ATOM 589 CB ALA A 41 -2.663 -0.666 -8.842 1.00 0.00 C ATOM 0 H ALA A 41 -4.031 -1.635 -6.364 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.927 -2.551 -8.139 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.699 -0.338 -9.231 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.241 -1.124 -9.645 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.207 0.193 -8.448 1.00 0.00 H new ATOM 595 N LEU A 42 -0.265 -1.147 -6.857 1.00 0.00 N ATOM 596 CA LEU A 42 0.700 -0.554 -5.947 1.00 0.00 C ATOM 597 C LEU A 42 1.460 0.547 -6.668 1.00 0.00 C ATOM 598 O LEU A 42 1.646 0.482 -7.883 1.00 0.00 O ATOM 599 CB LEU A 42 1.684 -1.612 -5.439 1.00 0.00 C ATOM 600 CG LEU A 42 1.060 -2.785 -4.686 1.00 0.00 C ATOM 601 CD1 LEU A 42 2.121 -3.816 -4.343 1.00 0.00 C ATOM 602 CD2 LEU A 42 0.363 -2.298 -3.426 1.00 0.00 C ATOM 0 H LEU A 42 0.152 -1.606 -7.667 1.00 0.00 H new ATOM 0 HA LEU A 42 0.168 -0.138 -5.092 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.240 -2.004 -6.291 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.407 -1.126 -4.784 1.00 0.00 H new ATOM 0 HG LEU A 42 0.316 -3.255 -5.330 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.662 -4.646 -3.807 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.579 -4.186 -5.260 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.885 -3.357 -3.716 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.076 -3.147 -2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.087 -1.806 -2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.423 -1.592 -3.695 1.00 0.00 H new ATOM 614 N HIS A 43 1.887 1.562 -5.934 1.00 0.00 N ATOM 615 CA HIS A 43 2.662 2.640 -6.525 1.00 0.00 C ATOM 616 C HIS A 43 3.700 3.143 -5.534 1.00 0.00 C ATOM 617 O HIS A 43 3.400 3.341 -4.354 1.00 0.00 O ATOM 618 CB HIS A 43 1.746 3.785 -6.976 1.00 0.00 C ATOM 619 CG HIS A 43 2.426 4.785 -7.864 1.00 0.00 C ATOM 620 ND1 HIS A 43 2.805 4.502 -9.157 1.00 0.00 N ATOM 621 CD2 HIS A 43 2.784 6.072 -7.642 1.00 0.00 C ATOM 622 CE1 HIS A 43 3.366 5.568 -9.694 1.00 0.00 C ATOM 623 NE2 HIS A 43 3.365 6.536 -8.797 1.00 0.00 N ATOM 0 H HIS A 43 1.711 1.662 -4.934 1.00 0.00 H new ATOM 0 HA HIS A 43 3.177 2.254 -7.405 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.889 3.367 -7.504 1.00 0.00 H new ATOM 0 HB3 HIS A 43 1.359 4.298 -6.095 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.640 6.629 -6.728 1.00 0.00 H new ATOM 0 HE1 HIS A 43 3.759 5.637 -10.697 1.00 0.00 H new ATOM 0 HE2 HIS A 43 3.735 7.476 -8.938 1.00 0.00 H new ATOM 632 N ARG A 44 4.917 3.331 -6.020 1.00 0.00 N ATOM 633 CA ARG A 44 6.013 3.817 -5.201 1.00 0.00 C ATOM 634 C ARG A 44 5.849 5.291 -4.883 1.00 0.00 C ATOM 635 O ARG A 44 5.482 6.090 -5.744 1.00 0.00 O ATOM 636 CB ARG A 44 7.348 3.582 -5.912 1.00 0.00 C ATOM 637 CG ARG A 44 8.008 2.272 -5.528 1.00 0.00 C ATOM 638 CD ARG A 44 8.683 2.379 -4.169 1.00 0.00 C ATOM 639 NE ARG A 44 10.010 2.988 -4.263 1.00 0.00 N ATOM 640 CZ ARG A 44 10.499 3.881 -3.400 1.00 0.00 C ATOM 641 NH1 ARG A 44 9.746 4.336 -2.403 1.00 0.00 N ATOM 642 NH2 ARG A 44 11.742 4.331 -3.543 1.00 0.00 N ATOM 0 H ARG A 44 5.171 3.151 -6.991 1.00 0.00 H new ATOM 0 HA ARG A 44 6.002 3.263 -4.262 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.186 3.597 -6.990 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.025 4.404 -5.680 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.262 1.478 -5.506 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.744 1.997 -6.283 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.059 2.971 -3.500 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.770 1.386 -3.728 1.00 0.00 H new ATOM 0 HE ARG A 44 10.604 2.710 -5.044 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.788 4.003 -2.294 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.126 5.018 -1.747 1.00 0.00 H new ATOM 0 HH21 ARG A 44 12.321 3.994 -4.312 1.00 0.00 H new ATOM 0 HH22 ARG A 44 12.116 5.013 -2.884 1.00 0.00 H new ATOM 656 N ALA A 45 6.091 5.627 -3.633 1.00 0.00 N ATOM 657 CA ALA A 45 6.133 7.008 -3.205 1.00 0.00 C ATOM 658 C ALA A 45 7.583 7.462 -3.137 1.00 0.00 C ATOM 659 O ALA A 45 8.473 6.783 -3.657 1.00 0.00 O ATOM 660 CB ALA A 45 5.449 7.153 -1.855 1.00 0.00 C ATOM 0 H ALA A 45 6.264 4.952 -2.888 1.00 0.00 H new ATOM 0 HA ALA A 45 5.601 7.637 -3.919 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.485 8.196 -1.539 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.410 6.834 -1.937 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.961 6.533 -1.119 1.00 0.00 H new ATOM 962 N ASP A 63 4.921 14.316 -2.421 1.00 0.00 N ATOM 963 CA ASP A 63 4.839 12.864 -2.189 1.00 0.00 C ATOM 964 C ASP A 63 3.414 12.326 -2.305 1.00 0.00 C ATOM 965 O ASP A 63 3.066 11.705 -3.312 1.00 0.00 O ATOM 966 CB ASP A 63 5.440 12.478 -0.834 1.00 0.00 C ATOM 967 CG ASP A 63 5.392 10.981 -0.585 1.00 0.00 C ATOM 968 OD1 ASP A 63 5.986 10.225 -1.384 1.00 0.00 O ATOM 969 OD2 ASP A 63 4.769 10.564 0.412 1.00 0.00 O ATOM 0 HA ASP A 63 5.428 12.400 -2.980 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.475 12.818 -0.788 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.900 12.993 -0.040 1.00 0.00 H new ATOM 974 N TYR A 64 2.592 12.591 -1.293 1.00 0.00 N ATOM 975 CA TYR A 64 1.248 12.018 -1.211 1.00 0.00 C ATOM 976 C TYR A 64 0.448 12.254 -2.490 1.00 0.00 C ATOM 977 O TYR A 64 -0.194 11.335 -2.999 1.00 0.00 O ATOM 978 CB TYR A 64 0.483 12.587 -0.009 1.00 0.00 C ATOM 979 CG TYR A 64 -0.994 12.244 -0.029 1.00 0.00 C ATOM 980 CD1 TYR A 64 -1.438 10.968 0.303 1.00 0.00 C ATOM 981 CD2 TYR A 64 -1.940 13.190 -0.407 1.00 0.00 C ATOM 982 CE1 TYR A 64 -2.783 10.647 0.255 1.00 0.00 C ATOM 983 CE2 TYR A 64 -3.282 12.875 -0.462 1.00 0.00 C ATOM 984 CZ TYR A 64 -3.700 11.606 -0.128 1.00 0.00 C ATOM 985 OH TYR A 64 -5.038 11.289 -0.195 1.00 0.00 O ATOM 0 H TYR A 64 2.834 13.202 -0.513 1.00 0.00 H new ATOM 0 HA TYR A 64 1.370 10.943 -1.082 1.00 0.00 H new ATOM 0 HB2 TYR A 64 0.926 12.205 0.911 1.00 0.00 H new ATOM 0 HB3 TYR A 64 0.598 13.671 0.008 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.722 10.217 0.603 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.619 14.189 -0.662 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.114 9.652 0.515 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -4.002 13.621 -0.766 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.368 11.455 -1.103 1.00 0.00 H new ATOM 995 N ARG A 65 0.495 13.479 -3.006 1.00 0.00 N ATOM 996 CA ARG A 65 -0.253 13.842 -4.201 1.00 0.00 C ATOM 997 C ARG A 65 0.020 12.909 -5.372 1.00 0.00 C ATOM 998 O ARG A 65 -0.866 12.658 -6.174 1.00 0.00 O ATOM 999 CB ARG A 65 0.037 15.275 -4.601 1.00 0.00 C ATOM 1000 CG ARG A 65 -1.101 16.215 -4.258 1.00 0.00 C ATOM 1001 CD ARG A 65 -2.386 15.824 -4.980 1.00 0.00 C ATOM 1002 NE ARG A 65 -3.384 16.893 -4.954 1.00 0.00 N ATOM 1003 CZ ARG A 65 -4.654 16.743 -5.337 1.00 0.00 C ATOM 1004 NH1 ARG A 65 -5.143 15.541 -5.615 1.00 0.00 N ATOM 1005 NH2 ARG A 65 -5.450 17.802 -5.389 1.00 0.00 N ATOM 0 H ARG A 65 1.048 14.240 -2.611 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.308 13.743 -3.947 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.945 15.612 -4.101 1.00 0.00 H new ATOM 0 HB3 ARG A 65 0.229 15.318 -5.673 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.270 16.205 -3.181 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.826 17.235 -4.529 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.156 15.570 -6.015 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.803 14.929 -4.517 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.091 17.812 -4.622 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.547 14.717 -5.537 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.115 15.441 -5.907 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.091 18.723 -5.137 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.422 17.696 -5.681 1.00 0.00 H new ATOM 1019 N ALA A 66 1.240 12.411 -5.483 1.00 0.00 N ATOM 1020 CA ALA A 66 1.592 11.545 -6.600 1.00 0.00 C ATOM 1021 C ALA A 66 0.826 10.228 -6.550 1.00 0.00 C ATOM 1022 O ALA A 66 0.264 9.792 -7.555 1.00 0.00 O ATOM 1023 CB ALA A 66 3.090 11.288 -6.633 1.00 0.00 C ATOM 0 H ALA A 66 1.997 12.588 -4.823 1.00 0.00 H new ATOM 0 HA ALA A 66 1.308 12.062 -7.517 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.329 10.639 -7.475 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.619 12.235 -6.742 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.397 10.806 -5.705 1.00 0.00 H new ATOM 1029 N ALA A 67 0.800 9.596 -5.384 1.00 0.00 N ATOM 1030 CA ALA A 67 0.037 8.366 -5.205 1.00 0.00 C ATOM 1031 C ALA A 67 -1.455 8.668 -5.248 1.00 0.00 C ATOM 1032 O ALA A 67 -2.250 7.885 -5.768 1.00 0.00 O ATOM 1033 CB ALA A 67 0.417 7.690 -3.898 1.00 0.00 C ATOM 0 H ALA A 67 1.296 9.912 -4.551 1.00 0.00 H new ATOM 0 HA ALA A 67 0.274 7.681 -6.019 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.162 6.774 -3.780 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.480 7.449 -3.909 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.206 8.362 -3.066 1.00 0.00 H new ATOM 1039 N ASP A 68 -1.809 9.828 -4.704 1.00 0.00 N ATOM 1040 CA ASP A 68 -3.190 10.303 -4.679 1.00 0.00 C ATOM 1041 C ASP A 68 -3.720 10.519 -6.093 1.00 0.00 C ATOM 1042 O ASP A 68 -4.804 10.046 -6.445 1.00 0.00 O ATOM 1043 CB ASP A 68 -3.262 11.609 -3.880 1.00 0.00 C ATOM 1044 CG ASP A 68 -4.648 12.219 -3.842 1.00 0.00 C ATOM 1045 OD1 ASP A 68 -4.970 13.010 -4.748 1.00 0.00 O ATOM 1046 OD2 ASP A 68 -5.404 11.932 -2.885 1.00 0.00 O ATOM 0 H ASP A 68 -1.145 10.467 -4.267 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.813 9.547 -4.201 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.929 11.420 -2.860 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.568 12.329 -4.314 1.00 0.00 H new ATOM 1051 N ALA A 69 -2.937 11.216 -6.910 1.00 0.00 N ATOM 1052 CA ALA A 69 -3.344 11.537 -8.268 1.00 0.00 C ATOM 1053 C ALA A 69 -3.380 10.290 -9.138 1.00 0.00 C ATOM 1054 O ALA A 69 -4.376 10.027 -9.806 1.00 0.00 O ATOM 1055 CB ALA A 69 -2.414 12.578 -8.872 1.00 0.00 C ATOM 0 H ALA A 69 -2.015 11.569 -6.652 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.352 11.951 -8.228 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.734 12.806 -9.889 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.444 13.486 -8.270 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.396 12.189 -8.891 1.00 0.00 H new ATOM 1061 N ALA A 70 -2.298 9.516 -9.104 1.00 0.00 N ATOM 1062 CA ALA A 70 -2.184 8.317 -9.932 1.00 0.00 C ATOM 1063 C ALA A 70 -3.323 7.350 -9.655 1.00 0.00 C ATOM 1064 O ALA A 70 -3.802 6.670 -10.559 1.00 0.00 O ATOM 1065 CB ALA A 70 -0.842 7.636 -9.708 1.00 0.00 C ATOM 0 H ALA A 70 -1.487 9.697 -8.512 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.247 8.624 -10.976 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.777 6.746 -10.333 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.037 8.323 -9.970 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.749 7.351 -8.660 1.00 0.00 H new ATOM 1071 N ALA A 71 -3.763 7.299 -8.405 1.00 0.00 N ATOM 1072 CA ALA A 71 -4.884 6.457 -8.043 1.00 0.00 C ATOM 1073 C ALA A 71 -6.139 6.914 -8.767 1.00 0.00 C ATOM 1074 O ALA A 71 -6.778 6.128 -9.456 1.00 0.00 O ATOM 1075 CB ALA A 71 -5.096 6.482 -6.541 1.00 0.00 C ATOM 0 H ALA A 71 -3.361 7.829 -7.632 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.666 5.432 -8.343 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.942 5.845 -6.282 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.199 6.116 -6.041 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.299 7.503 -6.219 1.00 0.00 H new ATOM 1081 N GLN A 72 -6.449 8.202 -8.656 1.00 0.00 N ATOM 1082 CA GLN A 72 -7.651 8.759 -9.271 1.00 0.00 C ATOM 1083 C GLN A 72 -7.575 8.668 -10.789 1.00 0.00 C ATOM 1084 O GLN A 72 -8.583 8.449 -11.457 1.00 0.00 O ATOM 1085 CB GLN A 72 -7.844 10.212 -8.841 1.00 0.00 C ATOM 1086 CG GLN A 72 -8.090 10.376 -7.351 1.00 0.00 C ATOM 1087 CD GLN A 72 -8.234 11.827 -6.950 1.00 0.00 C ATOM 1088 OE1 GLN A 72 -9.332 12.382 -6.965 1.00 0.00 O ATOM 1089 NE2 GLN A 72 -7.129 12.450 -6.579 1.00 0.00 N ATOM 0 H GLN A 72 -5.884 8.881 -8.146 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.507 8.174 -8.934 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -6.960 10.786 -9.120 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.686 10.636 -9.389 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.993 9.833 -7.072 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.265 9.928 -6.797 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.238 11.953 -6.581 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -7.167 13.428 -6.291 1.00 0.00 H new ATOM 1098 N GLU A 73 -6.371 8.833 -11.321 1.00 0.00 N ATOM 1099 CA GLU A 73 -6.125 8.703 -12.747 1.00 0.00 C ATOM 1100 C GLU A 73 -6.471 7.302 -13.232 1.00 0.00 C ATOM 1101 O GLU A 73 -7.003 7.115 -14.324 1.00 0.00 O ATOM 1102 CB GLU A 73 -4.659 9.013 -13.040 1.00 0.00 C ATOM 1103 CG GLU A 73 -4.291 10.467 -12.822 1.00 0.00 C ATOM 1104 CD GLU A 73 -2.842 10.754 -13.147 1.00 0.00 C ATOM 1105 OE1 GLU A 73 -1.958 10.225 -12.450 1.00 0.00 O ATOM 1106 OE2 GLU A 73 -2.574 11.518 -14.098 1.00 0.00 O ATOM 0 H GLU A 73 -5.540 9.060 -10.775 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.761 9.411 -13.278 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.030 8.389 -12.405 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.438 8.742 -14.072 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.930 11.097 -13.441 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.487 10.736 -11.784 1.00 0.00 H new ATOM 1113 N GLN A 74 -6.159 6.326 -12.403 1.00 0.00 N ATOM 1114 CA GLN A 74 -6.412 4.930 -12.719 1.00 0.00 C ATOM 1115 C GLN A 74 -7.797 4.477 -12.245 1.00 0.00 C ATOM 1116 O GLN A 74 -8.137 3.298 -12.344 1.00 0.00 O ATOM 1117 CB GLN A 74 -5.316 4.076 -12.090 1.00 0.00 C ATOM 1118 CG GLN A 74 -3.971 4.250 -12.780 1.00 0.00 C ATOM 1119 CD GLN A 74 -2.819 3.627 -12.022 1.00 0.00 C ATOM 1120 OE1 GLN A 74 -1.863 3.138 -12.626 1.00 0.00 O ATOM 1121 NE2 GLN A 74 -2.876 3.676 -10.700 1.00 0.00 N ATOM 0 H GLN A 74 -5.724 6.475 -11.493 1.00 0.00 H new ATOM 0 HA GLN A 74 -6.399 4.809 -13.802 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -5.216 4.337 -11.036 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -5.609 3.027 -12.132 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.022 3.808 -13.775 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -3.775 5.314 -12.913 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.687 4.090 -10.239 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.109 3.300 -10.142 1.00 0.00 H new ATOM 1130 N GLY A 75 -8.593 5.415 -11.741 1.00 0.00 N ATOM 1131 CA GLY A 75 -9.942 5.091 -11.299 1.00 0.00 C ATOM 1132 C GLY A 75 -9.965 4.413 -9.944 1.00 0.00 C ATOM 1133 O GLY A 75 -10.964 3.804 -9.556 1.00 0.00 O ATOM 0 H GLY A 75 -8.330 6.394 -11.630 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.535 6.005 -11.254 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.415 4.440 -12.035 1.00 0.00 H new ATOM 1137 N LEU A 76 -8.863 4.526 -9.226 1.00 0.00 N ATOM 1138 CA LEU A 76 -8.723 3.919 -7.915 1.00 0.00 C ATOM 1139 C LEU A 76 -8.603 5.008 -6.857 1.00 0.00 C ATOM 1140 O LEU A 76 -8.709 6.196 -7.167 1.00 0.00 O ATOM 1141 CB LEU A 76 -7.476 3.029 -7.882 1.00 0.00 C ATOM 1142 CG LEU A 76 -7.408 1.946 -8.963 1.00 0.00 C ATOM 1143 CD1 LEU A 76 -6.082 1.207 -8.890 1.00 0.00 C ATOM 1144 CD2 LEU A 76 -8.564 0.972 -8.818 1.00 0.00 C ATOM 0 H LEU A 76 -8.039 5.042 -9.535 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.602 3.309 -7.708 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.595 3.665 -7.974 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.421 2.547 -6.906 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.485 2.429 -9.937 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.049 0.441 -9.665 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.264 1.911 -9.042 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.980 0.738 -7.911 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -8.498 0.210 -9.595 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.518 0.496 -7.839 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -9.507 1.510 -8.916 1.00 0.00 H new ATOM 1156 N ASP A 77 -8.404 4.607 -5.616 1.00 0.00 N ATOM 1157 CA ASP A 77 -8.139 5.547 -4.542 1.00 0.00 C ATOM 1158 C ASP A 77 -7.265 4.895 -3.478 1.00 0.00 C ATOM 1159 O ASP A 77 -7.004 3.688 -3.531 1.00 0.00 O ATOM 1160 CB ASP A 77 -9.444 6.070 -3.933 1.00 0.00 C ATOM 1161 CG ASP A 77 -10.311 4.990 -3.312 1.00 0.00 C ATOM 1162 OD1 ASP A 77 -10.966 4.235 -4.065 1.00 0.00 O ATOM 1163 OD2 ASP A 77 -10.380 4.925 -2.069 1.00 0.00 O ATOM 0 H ASP A 77 -8.421 3.630 -5.325 1.00 0.00 H new ATOM 0 HA ASP A 77 -7.603 6.401 -4.956 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.206 6.813 -3.172 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.016 6.580 -4.708 1.00 0.00 H new ATOM 1168 N VAL A 78 -6.791 5.698 -2.536 1.00 0.00 N ATOM 1169 CA VAL A 78 -5.926 5.202 -1.478 1.00 0.00 C ATOM 1170 C VAL A 78 -6.755 4.469 -0.431 1.00 0.00 C ATOM 1171 O VAL A 78 -7.505 5.088 0.324 1.00 0.00 O ATOM 1172 CB VAL A 78 -5.133 6.342 -0.801 1.00 0.00 C ATOM 1173 CG1 VAL A 78 -4.126 5.778 0.195 1.00 0.00 C ATOM 1174 CG2 VAL A 78 -4.434 7.207 -1.845 1.00 0.00 C ATOM 0 H VAL A 78 -6.992 6.697 -2.484 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.210 4.518 -1.933 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.837 6.971 -0.255 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.578 6.597 0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.652 5.210 0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.427 5.123 -0.325 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.882 8.004 -1.347 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.743 6.593 -2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.177 7.643 -2.512 1.00 0.00 H new ATOM 1184 N VAL A 79 -6.626 3.150 -0.399 1.00 0.00 N ATOM 1185 CA VAL A 79 -7.410 2.333 0.517 1.00 0.00 C ATOM 1186 C VAL A 79 -6.577 1.879 1.712 1.00 0.00 C ATOM 1187 O VAL A 79 -7.097 1.281 2.654 1.00 0.00 O ATOM 1188 CB VAL A 79 -8.013 1.099 -0.193 1.00 0.00 C ATOM 1189 CG1 VAL A 79 -8.991 1.530 -1.280 1.00 0.00 C ATOM 1190 CG2 VAL A 79 -6.917 0.213 -0.770 1.00 0.00 C ATOM 0 H VAL A 79 -5.987 2.624 -0.995 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.226 2.961 0.875 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.561 0.515 0.547 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.405 0.647 -1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -9.799 2.110 -0.834 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.470 2.141 -2.017 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.367 -0.648 -1.264 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.333 0.782 -1.493 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.265 -0.130 0.034 1.00 0.00 H new ATOM 1200 N GLY A 80 -5.283 2.165 1.677 1.00 0.00 N ATOM 1201 CA GLY A 80 -4.418 1.785 2.775 1.00 0.00 C ATOM 1202 C GLY A 80 -3.002 2.276 2.589 1.00 0.00 C ATOM 1203 O GLY A 80 -2.663 2.828 1.541 1.00 0.00 O ATOM 0 H GLY A 80 -4.818 2.652 0.911 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.819 2.186 3.706 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -4.413 0.699 2.871 1.00 0.00 H new ATOM 1207 N VAL A 81 -2.177 2.068 3.603 1.00 0.00 N ATOM 1208 CA VAL A 81 -0.786 2.483 3.558 1.00 0.00 C ATOM 1209 C VAL A 81 0.114 1.272 3.757 1.00 0.00 C ATOM 1210 O VAL A 81 -0.264 0.301 4.417 1.00 0.00 O ATOM 1211 CB VAL A 81 -0.455 3.530 4.645 1.00 0.00 C ATOM 1212 CG1 VAL A 81 0.853 4.240 4.334 1.00 0.00 C ATOM 1213 CG2 VAL A 81 -1.588 4.535 4.808 1.00 0.00 C ATOM 0 H VAL A 81 -2.450 1.611 4.473 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.614 2.938 2.583 1.00 0.00 H new ATOM 0 HB VAL A 81 -0.340 3.000 5.590 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.064 4.972 5.114 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.662 3.511 4.292 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.772 4.747 3.373 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.325 5.258 5.580 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.752 5.055 3.864 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.500 4.012 5.097 1.00 0.00 H new ATOM 1223 N TYR A 82 1.303 1.339 3.203 1.00 0.00 N ATOM 1224 CA TYR A 82 2.243 0.237 3.273 1.00 0.00 C ATOM 1225 C TYR A 82 3.631 0.751 3.608 1.00 0.00 C ATOM 1226 O TYR A 82 4.084 1.759 3.067 1.00 0.00 O ATOM 1227 CB TYR A 82 2.252 -0.518 1.940 1.00 0.00 C ATOM 1228 CG TYR A 82 3.485 -1.358 1.700 1.00 0.00 C ATOM 1229 CD1 TYR A 82 3.594 -2.639 2.222 1.00 0.00 C ATOM 1230 CD2 TYR A 82 4.540 -0.865 0.944 1.00 0.00 C ATOM 1231 CE1 TYR A 82 4.719 -3.406 1.994 1.00 0.00 C ATOM 1232 CE2 TYR A 82 5.668 -1.624 0.713 1.00 0.00 C ATOM 1233 CZ TYR A 82 5.754 -2.892 1.241 1.00 0.00 C ATOM 1234 OH TYR A 82 6.879 -3.652 1.011 1.00 0.00 O ATOM 0 H TYR A 82 1.647 2.153 2.693 1.00 0.00 H new ATOM 0 HA TYR A 82 1.935 -0.449 4.062 1.00 0.00 H new ATOM 0 HB2 TYR A 82 1.375 -1.164 1.897 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.156 0.203 1.128 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.787 -3.042 2.816 1.00 0.00 H new ATOM 0 HD2 TYR A 82 4.476 0.130 0.530 1.00 0.00 H new ATOM 0 HE1 TYR A 82 4.788 -4.403 2.403 1.00 0.00 H new ATOM 0 HE2 TYR A 82 6.479 -1.226 0.121 1.00 0.00 H new ATOM 0 HH TYR A 82 7.675 -3.084 1.070 1.00 0.00 H new ATOM 1244 N HIS A 83 4.288 0.074 4.529 1.00 0.00 N ATOM 1245 CA HIS A 83 5.667 0.384 4.854 1.00 0.00 C ATOM 1246 C HIS A 83 6.402 -0.860 5.327 1.00 0.00 C ATOM 1247 O HIS A 83 5.804 -1.767 5.904 1.00 0.00 O ATOM 1248 CB HIS A 83 5.771 1.528 5.885 1.00 0.00 C ATOM 1249 CG HIS A 83 5.091 1.290 7.205 1.00 0.00 C ATOM 1250 ND1 HIS A 83 3.738 1.473 7.402 1.00 0.00 N ATOM 1251 CD2 HIS A 83 5.597 0.951 8.414 1.00 0.00 C ATOM 1252 CE1 HIS A 83 3.448 1.261 8.674 1.00 0.00 C ATOM 1253 NE2 HIS A 83 4.556 0.942 9.314 1.00 0.00 N ATOM 0 H HIS A 83 3.889 -0.696 5.066 1.00 0.00 H new ATOM 0 HA HIS A 83 6.150 0.735 3.942 1.00 0.00 H new ATOM 0 HB2 HIS A 83 6.826 1.726 6.073 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.352 2.430 5.440 1.00 0.00 H new ATOM 0 HD2 HIS A 83 6.631 0.728 8.633 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.466 1.337 9.116 1.00 0.00 H new ATOM 0 HE2 HIS A 83 4.629 0.725 10.308 1.00 0.00 H new ATOM 1262 N SER A 84 7.696 -0.893 5.082 1.00 0.00 N ATOM 1263 CA SER A 84 8.530 -1.989 5.528 1.00 0.00 C ATOM 1264 C SER A 84 9.326 -1.525 6.730 1.00 0.00 C ATOM 1265 O SER A 84 9.699 -0.352 6.810 1.00 0.00 O ATOM 1266 CB SER A 84 9.456 -2.421 4.395 1.00 0.00 C ATOM 1267 OG SER A 84 10.080 -1.295 3.803 1.00 0.00 O ATOM 0 H SER A 84 8.196 -0.165 4.571 1.00 0.00 H new ATOM 0 HA SER A 84 7.919 -2.846 5.810 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.214 -3.104 4.778 1.00 0.00 H new ATOM 0 HB3 SER A 84 8.888 -2.966 3.642 1.00 0.00 H new ATOM 0 HG SER A 84 11.019 -1.257 4.082 1.00 0.00 H new ATOM 1273 N HIS A 85 9.564 -2.406 7.683 1.00 0.00 N ATOM 1274 CA HIS A 85 10.134 -1.963 8.936 1.00 0.00 C ATOM 1275 C HIS A 85 11.332 -2.809 9.344 1.00 0.00 C ATOM 1276 O HIS A 85 11.323 -4.029 9.193 1.00 0.00 O ATOM 1277 CB HIS A 85 9.044 -2.046 10.006 1.00 0.00 C ATOM 1278 CG HIS A 85 9.165 -1.043 11.107 1.00 0.00 C ATOM 1279 ND1 HIS A 85 8.686 -1.269 12.379 1.00 0.00 N ATOM 1280 CD2 HIS A 85 9.663 0.215 11.113 1.00 0.00 C ATOM 1281 CE1 HIS A 85 8.878 -0.192 13.114 1.00 0.00 C ATOM 1282 NE2 HIS A 85 9.472 0.722 12.371 1.00 0.00 N ATOM 0 H HIS A 85 9.377 -3.406 7.616 1.00 0.00 H new ATOM 0 HA HIS A 85 10.491 -0.939 8.823 1.00 0.00 H new ATOM 0 HB2 HIS A 85 8.074 -1.921 9.526 1.00 0.00 H new ATOM 0 HB3 HIS A 85 9.058 -3.045 10.441 1.00 0.00 H new ATOM 0 HD2 HIS A 85 10.125 0.725 10.281 1.00 0.00 H new ATOM 0 HE1 HIS A 85 8.596 -0.077 14.150 1.00 0.00 H new ATOM 0 HE2 HIS A 85 9.745 1.654 12.683 1.00 0.00 H new ATOM 1291 N PRO A 86 12.382 -2.149 9.850 1.00 0.00 N ATOM 1292 CA PRO A 86 13.470 -2.776 10.572 1.00 0.00 C ATOM 1293 C PRO A 86 13.347 -2.504 12.071 1.00 0.00 C ATOM 1294 O PRO A 86 12.337 -1.940 12.513 1.00 0.00 O ATOM 1295 CB PRO A 86 14.685 -2.049 9.992 1.00 0.00 C ATOM 1296 CG PRO A 86 14.176 -0.699 9.563 1.00 0.00 C ATOM 1297 CD PRO A 86 12.666 -0.727 9.669 1.00 0.00 C ATOM 0 HA PRO A 86 13.507 -3.860 10.469 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.477 -1.952 10.735 1.00 0.00 H new ATOM 0 HB3 PRO A 86 15.105 -2.597 9.148 1.00 0.00 H new ATOM 0 HG2 PRO A 86 14.590 0.086 10.196 1.00 0.00 H new ATOM 0 HG3 PRO A 86 14.485 -0.480 8.541 1.00 0.00 H new ATOM 0 HD2 PRO A 86 12.308 -0.133 10.510 1.00 0.00 H new ATOM 0 HD3 PRO A 86 12.190 -0.330 8.772 1.00 0.00 H new ATOM 1305 N ASP A 87 14.377 -2.873 12.841 1.00 0.00 N ATOM 1306 CA ASP A 87 14.384 -2.678 14.302 1.00 0.00 C ATOM 1307 C ASP A 87 13.399 -3.632 14.972 1.00 0.00 C ATOM 1308 O ASP A 87 13.799 -4.564 15.668 1.00 0.00 O ATOM 1309 CB ASP A 87 14.075 -1.217 14.662 1.00 0.00 C ATOM 1310 CG ASP A 87 13.867 -1.003 16.145 1.00 0.00 C ATOM 1311 OD1 ASP A 87 14.854 -1.060 16.905 1.00 0.00 O ATOM 1312 OD2 ASP A 87 12.711 -0.773 16.554 1.00 0.00 O ATOM 0 H ASP A 87 15.223 -3.311 12.477 1.00 0.00 H new ATOM 0 HA ASP A 87 15.383 -2.905 14.675 1.00 0.00 H new ATOM 0 HB2 ASP A 87 14.894 -0.584 14.321 1.00 0.00 H new ATOM 0 HB3 ASP A 87 13.181 -0.898 14.126 1.00 0.00 H new ATOM 1317 N HIS A 88 12.115 -3.394 14.766 1.00 0.00 N ATOM 1318 CA HIS A 88 11.098 -4.371 15.114 1.00 0.00 C ATOM 1319 C HIS A 88 10.571 -4.969 13.817 1.00 0.00 C ATOM 1320 O HIS A 88 10.363 -4.242 12.844 1.00 0.00 O ATOM 1321 CB HIS A 88 9.969 -3.721 15.922 1.00 0.00 C ATOM 1322 CG HIS A 88 10.326 -3.455 17.356 1.00 0.00 C ATOM 1323 ND1 HIS A 88 11.085 -2.380 17.767 1.00 0.00 N ATOM 1324 CD2 HIS A 88 10.011 -4.136 18.482 1.00 0.00 C ATOM 1325 CE1 HIS A 88 11.219 -2.413 19.079 1.00 0.00 C ATOM 1326 NE2 HIS A 88 10.577 -3.467 19.537 1.00 0.00 N ATOM 0 H HIS A 88 11.752 -2.532 14.359 1.00 0.00 H new ATOM 0 HA HIS A 88 11.523 -5.154 15.742 1.00 0.00 H new ATOM 0 HB2 HIS A 88 9.689 -2.781 15.447 1.00 0.00 H new ATOM 0 HB3 HIS A 88 9.092 -4.368 15.889 1.00 0.00 H new ATOM 0 HD1 HIS A 88 11.481 -1.669 17.152 1.00 0.00 H new ATOM 0 HD2 HIS A 88 9.422 -5.040 18.539 1.00 0.00 H new ATOM 0 HE1 HIS A 88 11.763 -1.696 19.676 1.00 0.00 H new ATOM 1335 N PRO A 89 10.313 -6.281 13.784 1.00 0.00 N ATOM 1336 CA PRO A 89 10.107 -6.988 12.522 1.00 0.00 C ATOM 1337 C PRO A 89 8.684 -6.925 11.971 1.00 0.00 C ATOM 1338 O PRO A 89 8.460 -6.409 10.877 1.00 0.00 O ATOM 1339 CB PRO A 89 10.477 -8.424 12.887 1.00 0.00 C ATOM 1340 CG PRO A 89 10.171 -8.561 14.344 1.00 0.00 C ATOM 1341 CD PRO A 89 10.236 -7.178 14.949 1.00 0.00 C ATOM 0 HA PRO A 89 10.698 -6.541 11.723 1.00 0.00 H new ATOM 0 HB2 PRO A 89 9.903 -9.139 12.297 1.00 0.00 H new ATOM 0 HB3 PRO A 89 11.531 -8.620 12.688 1.00 0.00 H new ATOM 0 HG2 PRO A 89 9.183 -8.998 14.490 1.00 0.00 H new ATOM 0 HG3 PRO A 89 10.888 -9.225 14.826 1.00 0.00 H new ATOM 0 HD2 PRO A 89 9.356 -6.967 15.557 1.00 0.00 H new ATOM 0 HD3 PRO A 89 11.106 -7.066 15.597 1.00 0.00 H new ATOM 1349 N ALA A 90 7.717 -7.400 12.733 1.00 0.00 N ATOM 1350 CA ALA A 90 6.371 -7.560 12.207 1.00 0.00 C ATOM 1351 C ALA A 90 5.344 -6.914 13.115 1.00 0.00 C ATOM 1352 O ALA A 90 4.290 -7.485 13.390 1.00 0.00 O ATOM 1353 CB ALA A 90 6.067 -9.034 11.997 1.00 0.00 C ATOM 0 H ALA A 90 7.834 -7.679 13.707 1.00 0.00 H new ATOM 0 HA ALA A 90 6.315 -7.052 11.244 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.057 -9.145 11.603 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.781 -9.455 11.289 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.145 -9.561 12.948 1.00 0.00 H new ATOM 1359 N ARG A 91 5.673 -5.723 13.583 1.00 0.00 N ATOM 1360 CA ARG A 91 4.747 -4.898 14.330 1.00 0.00 C ATOM 1361 C ARG A 91 5.290 -3.472 14.392 1.00 0.00 C ATOM 1362 O ARG A 91 6.479 -3.251 14.132 1.00 0.00 O ATOM 1363 CB ARG A 91 4.512 -5.459 15.738 1.00 0.00 C ATOM 1364 CG ARG A 91 5.680 -5.293 16.691 1.00 0.00 C ATOM 1365 CD ARG A 91 5.256 -5.604 18.115 1.00 0.00 C ATOM 1366 NE ARG A 91 6.292 -5.270 19.092 1.00 0.00 N ATOM 1367 CZ ARG A 91 6.263 -4.181 19.863 1.00 0.00 C ATOM 1368 NH1 ARG A 91 5.289 -3.287 19.728 1.00 0.00 N ATOM 1369 NH2 ARG A 91 7.214 -3.989 20.766 1.00 0.00 N ATOM 0 H ARG A 91 6.593 -5.302 13.454 1.00 0.00 H new ATOM 0 HA ARG A 91 3.782 -4.896 13.823 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.638 -4.970 16.168 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.275 -6.520 15.657 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.494 -5.955 16.396 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.061 -4.273 16.634 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.347 -5.050 18.350 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.013 -6.663 18.195 1.00 0.00 H new ATOM 0 HE ARG A 91 7.083 -5.907 19.190 1.00 0.00 H new ATOM 0 HH11 ARG A 91 4.558 -3.431 19.032 1.00 0.00 H new ATOM 0 HH12 ARG A 91 5.273 -2.457 20.321 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.964 -4.672 20.870 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.196 -3.158 21.357 1.00 0.00 H new ATOM 1383 N PRO A 92 4.433 -2.483 14.700 1.00 0.00 N ATOM 1384 CA PRO A 92 4.840 -1.073 14.762 1.00 0.00 C ATOM 1385 C PRO A 92 5.816 -0.775 15.901 1.00 0.00 C ATOM 1386 O PRO A 92 6.272 -1.675 16.614 1.00 0.00 O ATOM 1387 CB PRO A 92 3.521 -0.328 14.990 1.00 0.00 C ATOM 1388 CG PRO A 92 2.619 -1.335 15.608 1.00 0.00 C ATOM 1389 CD PRO A 92 2.995 -2.648 14.985 1.00 0.00 C ATOM 0 HA PRO A 92 5.371 -0.777 13.857 1.00 0.00 H new ATOM 0 HB2 PRO A 92 3.661 0.533 15.644 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.111 0.048 14.052 1.00 0.00 H new ATOM 0 HG2 PRO A 92 2.746 -1.364 16.690 1.00 0.00 H new ATOM 0 HG3 PRO A 92 1.573 -1.095 15.416 1.00 0.00 H new ATOM 0 HD2 PRO A 92 2.811 -3.483 15.662 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.424 -2.842 14.077 1.00 0.00 H new ATOM 1397 N SER A 93 6.125 0.501 16.062 1.00 0.00 N ATOM 1398 CA SER A 93 7.051 0.964 17.081 1.00 0.00 C ATOM 1399 C SER A 93 6.676 2.388 17.497 1.00 0.00 C ATOM 1400 O SER A 93 5.621 2.882 17.100 1.00 0.00 O ATOM 1401 CB SER A 93 8.483 0.904 16.551 1.00 0.00 C ATOM 1402 OG SER A 93 8.815 -0.419 16.156 1.00 0.00 O ATOM 0 H SER A 93 5.738 1.249 15.486 1.00 0.00 H new ATOM 0 HA SER A 93 6.989 0.318 17.957 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.591 1.580 15.703 1.00 0.00 H new ATOM 0 HB3 SER A 93 9.176 1.244 17.321 1.00 0.00 H new ATOM 0 HG SER A 93 9.502 -0.777 16.757 1.00 0.00 H new ATOM 1408 N ALA A 94 7.533 3.050 18.269 1.00 0.00 N ATOM 1409 CA ALA A 94 7.189 4.344 18.860 1.00 0.00 C ATOM 1410 C ALA A 94 6.944 5.431 17.812 1.00 0.00 C ATOM 1411 O ALA A 94 5.926 6.120 17.853 1.00 0.00 O ATOM 1412 CB ALA A 94 8.285 4.780 19.820 1.00 0.00 C ATOM 0 H ALA A 94 8.468 2.715 18.501 1.00 0.00 H new ATOM 0 HA ALA A 94 6.251 4.211 19.399 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.024 5.744 20.257 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.391 4.039 20.612 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.227 4.870 19.280 1.00 0.00 H new ATOM 1418 N THR A 95 7.856 5.572 16.864 1.00 0.00 N ATOM 1419 CA THR A 95 7.733 6.612 15.848 1.00 0.00 C ATOM 1420 C THR A 95 6.747 6.186 14.762 1.00 0.00 C ATOM 1421 O THR A 95 6.009 7.011 14.221 1.00 0.00 O ATOM 1422 CB THR A 95 9.102 6.931 15.218 1.00 0.00 C ATOM 1423 OG1 THR A 95 10.077 7.131 16.253 1.00 0.00 O ATOM 1424 CG2 THR A 95 9.029 8.174 14.344 1.00 0.00 C ATOM 0 H THR A 95 8.685 4.985 16.774 1.00 0.00 H new ATOM 0 HA THR A 95 7.357 7.512 16.334 1.00 0.00 H new ATOM 0 HB THR A 95 9.392 6.087 14.592 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.947 7.332 15.849 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.010 8.374 13.913 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.307 8.014 13.543 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.718 9.026 14.948 1.00 0.00 H new ATOM 1432 N ASP A 96 6.736 4.888 14.465 1.00 0.00 N ATOM 1433 CA ASP A 96 5.801 4.319 13.493 1.00 0.00 C ATOM 1434 C ASP A 96 4.365 4.595 13.939 1.00 0.00 C ATOM 1435 O ASP A 96 3.500 4.931 13.132 1.00 0.00 O ATOM 1436 CB ASP A 96 6.045 2.809 13.376 1.00 0.00 C ATOM 1437 CG ASP A 96 5.611 2.215 12.045 1.00 0.00 C ATOM 1438 OD1 ASP A 96 6.424 2.217 11.099 1.00 0.00 O ATOM 1439 OD2 ASP A 96 4.477 1.702 11.948 1.00 0.00 O ATOM 0 H ASP A 96 7.367 4.206 14.886 1.00 0.00 H new ATOM 0 HA ASP A 96 5.958 4.779 12.518 1.00 0.00 H new ATOM 0 HB2 ASP A 96 7.107 2.610 13.522 1.00 0.00 H new ATOM 0 HB3 ASP A 96 5.512 2.302 14.180 1.00 0.00 H new ATOM 1444 N LEU A 97 4.144 4.481 15.246 1.00 0.00 N ATOM 1445 CA LEU A 97 2.846 4.765 15.851 1.00 0.00 C ATOM 1446 C LEU A 97 2.544 6.262 15.788 1.00 0.00 C ATOM 1447 O LEU A 97 1.440 6.668 15.422 1.00 0.00 O ATOM 1448 CB LEU A 97 2.855 4.271 17.314 1.00 0.00 C ATOM 1449 CG LEU A 97 1.528 4.340 18.099 1.00 0.00 C ATOM 1450 CD1 LEU A 97 1.245 5.748 18.596 1.00 0.00 C ATOM 1451 CD2 LEU A 97 0.369 3.835 17.255 1.00 0.00 C ATOM 0 H LEU A 97 4.858 4.190 15.914 1.00 0.00 H new ATOM 0 HA LEU A 97 2.064 4.243 15.299 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.194 3.235 17.317 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.599 4.851 17.860 1.00 0.00 H new ATOM 0 HG LEU A 97 1.633 3.691 18.969 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.303 5.758 19.144 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.051 6.070 19.255 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.177 6.427 17.746 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.554 3.894 17.832 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.277 4.449 16.359 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.552 2.799 16.968 1.00 0.00 H new ATOM 1463 N GLU A 98 3.538 7.074 16.134 1.00 0.00 N ATOM 1464 CA GLU A 98 3.354 8.520 16.246 1.00 0.00 C ATOM 1465 C GLU A 98 2.957 9.171 14.925 1.00 0.00 C ATOM 1466 O GLU A 98 2.117 10.073 14.904 1.00 0.00 O ATOM 1467 CB GLU A 98 4.622 9.183 16.782 1.00 0.00 C ATOM 1468 CG GLU A 98 4.767 9.084 18.289 1.00 0.00 C ATOM 1469 CD GLU A 98 5.797 10.047 18.830 1.00 0.00 C ATOM 1470 OE1 GLU A 98 6.984 9.677 18.904 1.00 0.00 O ATOM 1471 OE2 GLU A 98 5.422 11.185 19.187 1.00 0.00 O ATOM 0 H GLU A 98 4.484 6.755 16.343 1.00 0.00 H new ATOM 0 HA GLU A 98 2.532 8.672 16.946 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.490 8.722 16.311 1.00 0.00 H new ATOM 0 HB3 GLU A 98 4.623 10.234 16.493 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.804 9.284 18.758 1.00 0.00 H new ATOM 0 HG3 GLU A 98 5.048 8.066 18.559 1.00 0.00 H new ATOM 1478 N GLU A 99 3.547 8.718 13.829 1.00 0.00 N ATOM 1479 CA GLU A 99 3.285 9.323 12.528 1.00 0.00 C ATOM 1480 C GLU A 99 1.969 8.827 11.932 1.00 0.00 C ATOM 1481 O GLU A 99 1.419 9.449 11.023 1.00 0.00 O ATOM 1482 CB GLU A 99 4.446 9.057 11.570 1.00 0.00 C ATOM 1483 CG GLU A 99 5.714 9.813 11.936 1.00 0.00 C ATOM 1484 CD GLU A 99 5.517 11.319 11.933 1.00 0.00 C ATOM 1485 OE1 GLU A 99 5.687 11.944 10.861 1.00 0.00 O ATOM 1486 OE2 GLU A 99 5.197 11.886 12.994 1.00 0.00 O ATOM 0 H GLU A 99 4.206 7.940 13.812 1.00 0.00 H new ATOM 0 HA GLU A 99 3.194 10.399 12.675 1.00 0.00 H new ATOM 0 HB2 GLU A 99 4.660 7.988 11.557 1.00 0.00 H new ATOM 0 HB3 GLU A 99 4.145 9.334 10.560 1.00 0.00 H new ATOM 0 HG2 GLU A 99 6.049 9.496 12.923 1.00 0.00 H new ATOM 0 HG3 GLU A 99 6.504 9.552 11.232 1.00 0.00 H new ATOM 1493 N ALA A 100 1.457 7.719 12.451 1.00 0.00 N ATOM 1494 CA ALA A 100 0.176 7.193 11.998 1.00 0.00 C ATOM 1495 C ALA A 100 -0.973 7.900 12.713 1.00 0.00 C ATOM 1496 O ALA A 100 -1.689 7.304 13.517 1.00 0.00 O ATOM 1497 CB ALA A 100 0.108 5.688 12.222 1.00 0.00 C ATOM 0 H ALA A 100 1.907 7.169 13.183 1.00 0.00 H new ATOM 0 HA ALA A 100 0.081 7.382 10.929 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -0.856 5.312 11.878 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.908 5.201 11.664 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.223 5.473 13.284 1.00 0.00 H new ATOM 1503 N THR A 101 -1.136 9.182 12.424 1.00 0.00 N ATOM 1504 CA THR A 101 -2.130 10.003 13.102 1.00 0.00 C ATOM 1505 C THR A 101 -3.430 10.090 12.295 1.00 0.00 C ATOM 1506 O THR A 101 -4.312 10.895 12.595 1.00 0.00 O ATOM 1507 CB THR A 101 -1.579 11.422 13.343 1.00 0.00 C ATOM 1508 OG1 THR A 101 -0.179 11.354 13.648 1.00 0.00 O ATOM 1509 CG2 THR A 101 -2.303 12.108 14.493 1.00 0.00 C ATOM 0 H THR A 101 -0.590 9.679 11.721 1.00 0.00 H new ATOM 0 HA THR A 101 -2.349 9.529 14.059 1.00 0.00 H new ATOM 0 HB THR A 101 -1.739 12.002 12.434 1.00 0.00 H new ATOM 0 HG1 THR A 101 -0.004 10.570 14.209 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.891 13.107 14.638 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.365 12.183 14.261 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.171 11.526 15.405 1.00 0.00 H new ATOM 1517 N PHE A 102 -3.556 9.248 11.277 1.00 0.00 N ATOM 1518 CA PHE A 102 -4.736 9.259 10.423 1.00 0.00 C ATOM 1519 C PHE A 102 -5.456 7.910 10.447 1.00 0.00 C ATOM 1520 O PHE A 102 -5.184 7.027 9.633 1.00 0.00 O ATOM 1521 CB PHE A 102 -4.374 9.682 8.987 1.00 0.00 C ATOM 1522 CG PHE A 102 -3.055 9.149 8.484 1.00 0.00 C ATOM 1523 CD1 PHE A 102 -1.876 9.834 8.739 1.00 0.00 C ATOM 1524 CD2 PHE A 102 -2.994 7.975 7.751 1.00 0.00 C ATOM 1525 CE1 PHE A 102 -0.664 9.355 8.278 1.00 0.00 C ATOM 1526 CE2 PHE A 102 -1.786 7.493 7.285 1.00 0.00 C ATOM 1527 CZ PHE A 102 -0.620 8.183 7.551 1.00 0.00 C ATOM 0 H PHE A 102 -2.857 8.550 11.023 1.00 0.00 H new ATOM 0 HA PHE A 102 -5.428 10.001 10.821 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -5.165 9.349 8.315 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -4.352 10.771 8.938 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -1.905 10.753 9.305 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -3.902 7.430 7.541 1.00 0.00 H new ATOM 0 HE1 PHE A 102 0.247 9.897 8.486 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -1.754 6.577 6.713 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.326 7.806 7.190 1.00 0.00 H new ATOM 1537 N PRO A 103 -6.364 7.717 11.419 1.00 0.00 N ATOM 1538 CA PRO A 103 -7.114 6.473 11.557 1.00 0.00 C ATOM 1539 C PRO A 103 -8.236 6.351 10.528 1.00 0.00 C ATOM 1540 O PRO A 103 -9.366 6.792 10.756 1.00 0.00 O ATOM 1541 CB PRO A 103 -7.677 6.552 12.977 1.00 0.00 C ATOM 1542 CG PRO A 103 -7.809 8.010 13.257 1.00 0.00 C ATOM 1543 CD PRO A 103 -6.736 8.704 12.453 1.00 0.00 C ATOM 0 HA PRO A 103 -6.488 5.597 11.387 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -8.640 6.047 13.049 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -7.011 6.071 13.693 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -8.798 8.370 12.975 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -7.687 8.212 14.321 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -7.106 9.627 12.008 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -5.882 8.971 13.075 1.00 0.00 H new ATOM 1551 N GLY A 104 -7.903 5.791 9.376 1.00 0.00 N ATOM 1552 CA GLY A 104 -8.899 5.551 8.349 1.00 0.00 C ATOM 1553 C GLY A 104 -8.347 4.734 7.201 1.00 0.00 C ATOM 1554 O GLY A 104 -8.882 4.772 6.092 1.00 0.00 O ATOM 0 H GLY A 104 -6.958 5.497 9.131 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -9.752 5.032 8.786 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -9.266 6.505 7.971 1.00 0.00 H new ATOM 1558 N PHE A 105 -7.274 3.998 7.466 1.00 0.00 N ATOM 1559 CA PHE A 105 -6.609 3.204 6.448 1.00 0.00 C ATOM 1560 C PHE A 105 -6.143 1.874 7.027 1.00 0.00 C ATOM 1561 O PHE A 105 -6.075 1.711 8.247 1.00 0.00 O ATOM 1562 CB PHE A 105 -5.397 3.955 5.890 1.00 0.00 C ATOM 1563 CG PHE A 105 -5.736 5.192 5.109 1.00 0.00 C ATOM 1564 CD1 PHE A 105 -6.167 5.102 3.795 1.00 0.00 C ATOM 1565 CD2 PHE A 105 -5.623 6.447 5.689 1.00 0.00 C ATOM 1566 CE1 PHE A 105 -6.478 6.239 3.075 1.00 0.00 C ATOM 1567 CE2 PHE A 105 -5.933 7.586 4.973 1.00 0.00 C ATOM 1568 CZ PHE A 105 -6.362 7.482 3.664 1.00 0.00 C ATOM 0 H PHE A 105 -6.844 3.937 8.389 1.00 0.00 H new ATOM 0 HA PHE A 105 -7.324 3.020 5.646 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -4.744 4.231 6.718 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -4.831 3.280 5.249 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.261 4.132 3.329 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.289 6.534 6.712 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -6.812 6.155 2.051 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -5.840 8.557 5.436 1.00 0.00 H new ATOM 0 HZ PHE A 105 -6.606 8.372 3.102 1.00 0.00 H new ATOM 1578 N THR A 106 -5.829 0.930 6.152 1.00 0.00 N ATOM 1579 CA THR A 106 -5.235 -0.332 6.567 1.00 0.00 C ATOM 1580 C THR A 106 -3.716 -0.215 6.499 1.00 0.00 C ATOM 1581 O THR A 106 -3.178 0.377 5.562 1.00 0.00 O ATOM 1582 CB THR A 106 -5.705 -1.495 5.670 1.00 0.00 C ATOM 1583 OG1 THR A 106 -7.136 -1.487 5.586 1.00 0.00 O ATOM 1584 CG2 THR A 106 -5.238 -2.837 6.219 1.00 0.00 C ATOM 0 H THR A 106 -5.976 1.015 5.146 1.00 0.00 H new ATOM 0 HA THR A 106 -5.552 -0.545 7.588 1.00 0.00 H new ATOM 0 HB THR A 106 -5.271 -1.359 4.679 1.00 0.00 H new ATOM 0 HG1 THR A 106 -7.465 -2.408 5.522 1.00 0.00 H new ATOM 0 HG21 THR A 106 -5.584 -3.638 5.566 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.149 -2.852 6.266 1.00 0.00 H new ATOM 0 HG23 THR A 106 -5.646 -2.983 7.219 1.00 0.00 H new ATOM 1592 N TYR A 107 -3.027 -0.752 7.494 1.00 0.00 N ATOM 1593 CA TYR A 107 -1.578 -0.636 7.557 1.00 0.00 C ATOM 1594 C TYR A 107 -0.908 -1.982 7.336 1.00 0.00 C ATOM 1595 O TYR A 107 -1.057 -2.899 8.140 1.00 0.00 O ATOM 1596 CB TYR A 107 -1.138 -0.056 8.904 1.00 0.00 C ATOM 1597 CG TYR A 107 -1.518 1.395 9.097 1.00 0.00 C ATOM 1598 CD1 TYR A 107 -2.794 1.752 9.515 1.00 0.00 C ATOM 1599 CD2 TYR A 107 -0.597 2.406 8.862 1.00 0.00 C ATOM 1600 CE1 TYR A 107 -3.139 3.077 9.690 1.00 0.00 C ATOM 1601 CE2 TYR A 107 -0.935 3.733 9.036 1.00 0.00 C ATOM 1602 CZ TYR A 107 -2.208 4.063 9.452 1.00 0.00 C ATOM 1603 OH TYR A 107 -2.552 5.378 9.629 1.00 0.00 O ATOM 0 H TYR A 107 -3.446 -1.271 8.266 1.00 0.00 H new ATOM 0 HA TYR A 107 -1.269 0.041 6.760 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -1.580 -0.647 9.706 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -0.056 -0.154 8.995 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -3.527 0.982 9.706 1.00 0.00 H new ATOM 0 HD2 TYR A 107 0.401 2.150 8.538 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -4.136 3.339 10.012 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -0.207 4.508 8.848 1.00 0.00 H new ATOM 0 HH TYR A 107 -2.364 5.879 8.808 1.00 0.00 H new ATOM 1613 N VAL A 108 -0.180 -2.100 6.240 1.00 0.00 N ATOM 1614 CA VAL A 108 0.594 -3.300 5.975 1.00 0.00 C ATOM 1615 C VAL A 108 2.040 -3.083 6.382 1.00 0.00 C ATOM 1616 O VAL A 108 2.730 -2.213 5.841 1.00 0.00 O ATOM 1617 CB VAL A 108 0.530 -3.708 4.485 1.00 0.00 C ATOM 1618 CG1 VAL A 108 1.360 -4.959 4.228 1.00 0.00 C ATOM 1619 CG2 VAL A 108 -0.911 -3.928 4.053 1.00 0.00 C ATOM 0 H VAL A 108 -0.108 -1.381 5.520 1.00 0.00 H new ATOM 0 HA VAL A 108 0.160 -4.109 6.563 1.00 0.00 H new ATOM 0 HB VAL A 108 0.949 -2.894 3.893 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.299 -5.226 3.173 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.399 -4.767 4.494 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.976 -5.781 4.833 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.936 -4.214 3.002 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.355 -4.721 4.656 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.477 -3.007 4.192 1.00 0.00 H new ATOM 1629 N ILE A 109 2.478 -3.857 7.359 1.00 0.00 N ATOM 1630 CA ILE A 109 3.852 -3.807 7.822 1.00 0.00 C ATOM 1631 C ILE A 109 4.555 -5.102 7.451 1.00 0.00 C ATOM 1632 O ILE A 109 4.157 -6.185 7.880 1.00 0.00 O ATOM 1633 CB ILE A 109 3.937 -3.595 9.350 1.00 0.00 C ATOM 1634 CG1 ILE A 109 3.245 -2.289 9.745 1.00 0.00 C ATOM 1635 CG2 ILE A 109 5.390 -3.591 9.808 1.00 0.00 C ATOM 1636 CD1 ILE A 109 3.277 -2.005 11.232 1.00 0.00 C ATOM 0 H ILE A 109 1.895 -4.534 7.851 1.00 0.00 H new ATOM 0 HA ILE A 109 4.338 -2.959 7.340 1.00 0.00 H new ATOM 0 HB ILE A 109 3.425 -4.421 9.844 1.00 0.00 H new ATOM 0 HG12 ILE A 109 3.721 -1.463 9.217 1.00 0.00 H new ATOM 0 HG13 ILE A 109 2.207 -2.324 9.414 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.431 -3.441 10.887 1.00 0.00 H new ATOM 0 HG22 ILE A 109 5.853 -4.545 9.557 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.927 -2.784 9.309 1.00 0.00 H new ATOM 0 HD11 ILE A 109 2.767 -1.063 11.434 1.00 0.00 H new ATOM 0 HD12 ILE A 109 2.775 -2.811 11.767 1.00 0.00 H new ATOM 0 HD13 ILE A 109 4.312 -1.936 11.567 1.00 0.00 H new ATOM 1648 N VAL A 110 5.580 -4.991 6.633 1.00 0.00 N ATOM 1649 CA VAL A 110 6.345 -6.152 6.230 1.00 0.00 C ATOM 1650 C VAL A 110 7.724 -6.119 6.868 1.00 0.00 C ATOM 1651 O VAL A 110 8.373 -5.070 6.935 1.00 0.00 O ATOM 1652 CB VAL A 110 6.451 -6.261 4.686 1.00 0.00 C ATOM 1653 CG1 VAL A 110 7.113 -5.029 4.088 1.00 0.00 C ATOM 1654 CG2 VAL A 110 7.197 -7.525 4.273 1.00 0.00 C ATOM 0 H VAL A 110 5.903 -4.109 6.234 1.00 0.00 H new ATOM 0 HA VAL A 110 5.818 -7.040 6.580 1.00 0.00 H new ATOM 0 HB VAL A 110 5.436 -6.322 4.293 1.00 0.00 H new ATOM 0 HG11 VAL A 110 7.172 -5.137 3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 110 6.525 -4.145 4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 110 8.118 -4.921 4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 110 7.256 -7.574 3.186 1.00 0.00 H new ATOM 0 HG22 VAL A 110 8.204 -7.506 4.690 1.00 0.00 H new ATOM 0 HG23 VAL A 110 6.666 -8.400 4.648 1.00 0.00 H new ATOM 1664 N SER A 111 8.149 -7.270 7.354 1.00 0.00 N ATOM 1665 CA SER A 111 9.437 -7.402 7.987 1.00 0.00 C ATOM 1666 C SER A 111 10.506 -7.548 6.922 1.00 0.00 C ATOM 1667 O SER A 111 10.592 -8.576 6.246 1.00 0.00 O ATOM 1668 CB SER A 111 9.441 -8.619 8.918 1.00 0.00 C ATOM 1669 OG SER A 111 10.664 -8.727 9.629 1.00 0.00 O ATOM 0 H SER A 111 7.609 -8.135 7.319 1.00 0.00 H new ATOM 0 HA SER A 111 9.644 -6.512 8.582 1.00 0.00 H new ATOM 0 HB2 SER A 111 8.614 -8.541 9.624 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.277 -9.525 8.335 1.00 0.00 H new ATOM 0 HG SER A 111 10.755 -9.635 9.987 1.00 0.00 H new ATOM 1675 N VAL A 112 11.286 -6.501 6.742 1.00 0.00 N ATOM 1676 CA VAL A 112 12.367 -6.530 5.783 1.00 0.00 C ATOM 1677 C VAL A 112 13.687 -6.326 6.499 1.00 0.00 C ATOM 1678 O VAL A 112 13.949 -5.266 7.064 1.00 0.00 O ATOM 1679 CB VAL A 112 12.205 -5.466 4.675 1.00 0.00 C ATOM 1680 CG1 VAL A 112 13.368 -5.528 3.692 1.00 0.00 C ATOM 1681 CG2 VAL A 112 10.883 -5.653 3.945 1.00 0.00 C ATOM 0 H VAL A 112 11.190 -5.621 7.248 1.00 0.00 H new ATOM 0 HA VAL A 112 12.346 -7.506 5.298 1.00 0.00 H new ATOM 0 HB VAL A 112 12.206 -4.483 5.145 1.00 0.00 H new ATOM 0 HG11 VAL A 112 13.233 -4.770 2.920 1.00 0.00 H new ATOM 0 HG12 VAL A 112 14.303 -5.344 4.222 1.00 0.00 H new ATOM 0 HG13 VAL A 112 13.401 -6.514 3.230 1.00 0.00 H new ATOM 0 HG21 VAL A 112 10.786 -4.895 3.168 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.855 -6.644 3.491 1.00 0.00 H new ATOM 0 HG23 VAL A 112 10.060 -5.555 4.653 1.00 0.00 H new ATOM 1691 N ARG A 113 14.520 -7.343 6.452 1.00 0.00 N ATOM 1692 CA ARG A 113 15.791 -7.329 7.150 1.00 0.00 C ATOM 1693 C ARG A 113 16.879 -6.795 6.231 1.00 0.00 C ATOM 1694 O ARG A 113 17.945 -7.394 6.097 1.00 0.00 O ATOM 1695 CB ARG A 113 16.119 -8.742 7.629 1.00 0.00 C ATOM 1696 CG ARG A 113 15.047 -9.321 8.541 1.00 0.00 C ATOM 1697 CD ARG A 113 15.346 -10.757 8.929 1.00 0.00 C ATOM 1698 NE ARG A 113 16.604 -10.876 9.661 1.00 0.00 N ATOM 1699 CZ ARG A 113 16.787 -11.685 10.699 1.00 0.00 C ATOM 1700 NH1 ARG A 113 15.781 -12.415 11.171 1.00 0.00 N ATOM 1701 NH2 ARG A 113 17.983 -11.754 11.272 1.00 0.00 N ATOM 0 H ARG A 113 14.338 -8.201 5.931 1.00 0.00 H new ATOM 0 HA ARG A 113 15.731 -6.673 8.018 1.00 0.00 H new ATOM 0 HB2 ARG A 113 16.244 -9.394 6.764 1.00 0.00 H new ATOM 0 HB3 ARG A 113 17.072 -8.729 8.159 1.00 0.00 H new ATOM 0 HG2 ARG A 113 14.969 -8.711 9.441 1.00 0.00 H new ATOM 0 HG3 ARG A 113 14.080 -9.275 8.039 1.00 0.00 H new ATOM 0 HD2 ARG A 113 14.532 -11.144 9.542 1.00 0.00 H new ATOM 0 HD3 ARG A 113 15.389 -11.373 8.031 1.00 0.00 H new ATOM 0 HE ARG A 113 17.391 -10.303 9.357 1.00 0.00 H new ATOM 0 HH11 ARG A 113 14.860 -12.356 10.736 1.00 0.00 H new ATOM 0 HH12 ARG A 113 15.930 -13.034 11.968 1.00 0.00 H new ATOM 0 HH21 ARG A 113 18.753 -11.188 10.915 1.00 0.00 H new ATOM 0 HH22 ARG A 113 18.132 -12.373 12.069 1.00 0.00 H new ATOM 1715 N ASP A 114 16.584 -5.655 5.607 1.00 0.00 N ATOM 1716 CA ASP A 114 17.494 -5.000 4.667 1.00 0.00 C ATOM 1717 C ASP A 114 17.754 -5.891 3.454 1.00 0.00 C ATOM 1718 O ASP A 114 18.716 -6.656 3.414 1.00 0.00 O ATOM 1719 CB ASP A 114 18.808 -4.618 5.359 1.00 0.00 C ATOM 1720 CG ASP A 114 19.718 -3.774 4.486 1.00 0.00 C ATOM 1721 OD1 ASP A 114 19.395 -2.591 4.248 1.00 0.00 O ATOM 1722 OD2 ASP A 114 20.782 -4.278 4.069 1.00 0.00 O ATOM 0 H ASP A 114 15.703 -5.158 5.740 1.00 0.00 H new ATOM 0 HA ASP A 114 17.019 -4.084 4.316 1.00 0.00 H new ATOM 0 HB2 ASP A 114 18.584 -4.071 6.275 1.00 0.00 H new ATOM 0 HB3 ASP A 114 19.335 -5.526 5.651 1.00 0.00 H new ATOM 1727 N GLY A 115 16.849 -5.822 2.487 1.00 0.00 N ATOM 1728 CA GLY A 115 16.969 -6.634 1.289 1.00 0.00 C ATOM 1729 C GLY A 115 16.452 -8.046 1.491 1.00 0.00 C ATOM 1730 O GLY A 115 16.437 -8.851 0.562 1.00 0.00 O ATOM 0 H GLY A 115 16.029 -5.215 2.510 1.00 0.00 H new ATOM 0 HA2 GLY A 115 16.417 -6.161 0.477 1.00 0.00 H new ATOM 0 HA3 GLY A 115 18.015 -6.673 0.984 1.00 0.00 H new ATOM 1734 N ALA A 116 16.019 -8.349 2.705 1.00 0.00 N ATOM 1735 CA ALA A 116 15.533 -9.683 3.028 1.00 0.00 C ATOM 1736 C ALA A 116 14.089 -9.646 3.516 1.00 0.00 C ATOM 1737 O ALA A 116 13.806 -9.108 4.583 1.00 0.00 O ATOM 1738 CB ALA A 116 16.430 -10.325 4.076 1.00 0.00 C ATOM 0 H ALA A 116 15.994 -7.690 3.483 1.00 0.00 H new ATOM 0 HA ALA A 116 15.560 -10.282 2.118 1.00 0.00 H new ATOM 0 HB1 ALA A 116 16.059 -11.322 4.311 1.00 0.00 H new ATOM 0 HB2 ALA A 116 17.447 -10.398 3.689 1.00 0.00 H new ATOM 0 HB3 ALA A 116 16.428 -9.715 4.979 1.00 0.00 H new ATOM 1744 N PRO A 117 13.155 -10.203 2.733 1.00 0.00 N ATOM 1745 CA PRO A 117 11.752 -10.308 3.121 1.00 0.00 C ATOM 1746 C PRO A 117 11.533 -11.452 4.109 1.00 0.00 C ATOM 1747 O PRO A 117 11.796 -12.614 3.794 1.00 0.00 O ATOM 1748 CB PRO A 117 11.022 -10.597 1.797 1.00 0.00 C ATOM 1749 CG PRO A 117 12.066 -10.529 0.725 1.00 0.00 C ATOM 1750 CD PRO A 117 13.382 -10.772 1.403 1.00 0.00 C ATOM 0 HA PRO A 117 11.394 -9.407 3.620 1.00 0.00 H new ATOM 0 HB2 PRO A 117 10.549 -11.579 1.819 1.00 0.00 H new ATOM 0 HB3 PRO A 117 10.233 -9.867 1.619 1.00 0.00 H new ATOM 0 HG2 PRO A 117 11.881 -11.278 -0.045 1.00 0.00 H new ATOM 0 HG3 PRO A 117 12.056 -9.556 0.233 1.00 0.00 H new ATOM 0 HD2 PRO A 117 13.626 -11.833 1.450 1.00 0.00 H new ATOM 0 HD3 PRO A 117 14.204 -10.279 0.884 1.00 0.00 H new ATOM 1758 N GLU A 118 11.073 -11.119 5.306 1.00 0.00 N ATOM 1759 CA GLU A 118 10.877 -12.112 6.350 1.00 0.00 C ATOM 1760 C GLU A 118 9.406 -12.517 6.451 1.00 0.00 C ATOM 1761 O GLU A 118 9.035 -13.635 6.098 1.00 0.00 O ATOM 1762 CB GLU A 118 11.373 -11.558 7.689 1.00 0.00 C ATOM 1763 CG GLU A 118 11.336 -12.563 8.825 1.00 0.00 C ATOM 1764 CD GLU A 118 11.947 -12.026 10.104 1.00 0.00 C ATOM 1765 OE1 GLU A 118 11.269 -11.247 10.811 1.00 0.00 O ATOM 1766 OE2 GLU A 118 13.099 -12.392 10.421 1.00 0.00 O ATOM 0 H GLU A 118 10.828 -10.167 5.578 1.00 0.00 H new ATOM 0 HA GLU A 118 11.452 -13.003 6.096 1.00 0.00 H new ATOM 0 HB2 GLU A 118 12.396 -11.201 7.566 1.00 0.00 H new ATOM 0 HB3 GLU A 118 10.765 -10.695 7.961 1.00 0.00 H new ATOM 0 HG2 GLU A 118 10.302 -12.852 9.015 1.00 0.00 H new ATOM 0 HG3 GLU A 118 11.869 -13.465 8.524 1.00 0.00 H new ATOM 1773 N ALA A 119 8.571 -11.596 6.912 1.00 0.00 N ATOM 1774 CA ALA A 119 7.153 -11.876 7.104 1.00 0.00 C ATOM 1775 C ALA A 119 6.310 -10.651 6.773 1.00 0.00 C ATOM 1776 O ALA A 119 6.789 -9.523 6.847 1.00 0.00 O ATOM 1777 CB ALA A 119 6.888 -12.331 8.534 1.00 0.00 C ATOM 0 H ALA A 119 8.851 -10.647 7.161 1.00 0.00 H new ATOM 0 HA ALA A 119 6.870 -12.680 6.425 1.00 0.00 H new ATOM 0 HB1 ALA A 119 5.825 -12.536 8.660 1.00 0.00 H new ATOM 0 HB2 ALA A 119 7.459 -13.237 8.739 1.00 0.00 H new ATOM 0 HB3 ALA A 119 7.191 -11.546 9.227 1.00 0.00 H new ATOM 1783 N LEU A 120 5.058 -10.883 6.407 1.00 0.00 N ATOM 1784 CA LEU A 120 4.144 -9.805 6.036 1.00 0.00 C ATOM 1785 C LEU A 120 2.947 -9.796 6.986 1.00 0.00 C ATOM 1786 O LEU A 120 2.305 -10.824 7.190 1.00 0.00 O ATOM 1787 CB LEU A 120 3.688 -10.001 4.578 1.00 0.00 C ATOM 1788 CG LEU A 120 2.964 -8.819 3.914 1.00 0.00 C ATOM 1789 CD1 LEU A 120 2.988 -8.972 2.402 1.00 0.00 C ATOM 1790 CD2 LEU A 120 1.521 -8.715 4.391 1.00 0.00 C ATOM 0 H LEU A 120 4.646 -11.815 6.358 1.00 0.00 H new ATOM 0 HA LEU A 120 4.652 -8.844 6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 120 4.565 -10.243 3.977 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.028 -10.868 4.542 1.00 0.00 H new ATOM 0 HG LEU A 120 3.488 -7.907 4.198 1.00 0.00 H new ATOM 0 HD11 LEU A 120 2.472 -8.129 1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.021 -8.998 2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 120 2.488 -9.899 2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.037 -7.869 3.903 1.00 0.00 H new ATOM 0 HD22 LEU A 120 0.988 -9.632 4.141 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.504 -8.569 5.471 1.00 0.00 H new ATOM 1802 N THR A 121 2.645 -8.637 7.558 1.00 0.00 N ATOM 1803 CA THR A 121 1.559 -8.531 8.517 1.00 0.00 C ATOM 1804 C THR A 121 0.648 -7.352 8.188 1.00 0.00 C ATOM 1805 O THR A 121 1.117 -6.297 7.762 1.00 0.00 O ATOM 1806 CB THR A 121 2.091 -8.384 9.961 1.00 0.00 C ATOM 1807 OG1 THR A 121 3.032 -7.303 10.043 1.00 0.00 O ATOM 1808 CG2 THR A 121 2.754 -9.670 10.438 1.00 0.00 C ATOM 0 H THR A 121 3.136 -7.762 7.374 1.00 0.00 H new ATOM 0 HA THR A 121 0.984 -9.455 8.449 1.00 0.00 H new ATOM 0 HB THR A 121 1.238 -8.171 10.605 1.00 0.00 H new ATOM 0 HG1 THR A 121 3.123 -6.881 9.163 1.00 0.00 H new ATOM 0 HG21 THR A 121 3.118 -9.536 11.457 1.00 0.00 H new ATOM 0 HG22 THR A 121 2.028 -10.483 10.416 1.00 0.00 H new ATOM 0 HG23 THR A 121 3.591 -9.913 9.783 1.00 0.00 H new ATOM 1816 N ALA A 122 -0.651 -7.541 8.367 1.00 0.00 N ATOM 1817 CA ALA A 122 -1.616 -6.476 8.139 1.00 0.00 C ATOM 1818 C ALA A 122 -2.260 -6.063 9.450 1.00 0.00 C ATOM 1819 O ALA A 122 -2.677 -6.912 10.247 1.00 0.00 O ATOM 1820 CB ALA A 122 -2.674 -6.908 7.136 1.00 0.00 C ATOM 0 H ALA A 122 -1.062 -8.424 8.670 1.00 0.00 H new ATOM 0 HA ALA A 122 -1.089 -5.618 7.723 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -3.383 -6.095 6.983 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.197 -7.157 6.188 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.201 -7.782 7.517 1.00 0.00 H new ATOM 1826 N TRP A 123 -2.334 -4.762 9.667 1.00 0.00 N ATOM 1827 CA TRP A 123 -2.796 -4.218 10.929 1.00 0.00 C ATOM 1828 C TRP A 123 -3.890 -3.185 10.717 1.00 0.00 C ATOM 1829 O TRP A 123 -3.927 -2.493 9.694 1.00 0.00 O ATOM 1830 CB TRP A 123 -1.629 -3.573 11.677 1.00 0.00 C ATOM 1831 CG TRP A 123 -0.489 -4.508 11.923 1.00 0.00 C ATOM 1832 CD1 TRP A 123 0.535 -4.801 11.067 1.00 0.00 C ATOM 1833 CD2 TRP A 123 -0.262 -5.279 13.105 1.00 0.00 C ATOM 1834 NE1 TRP A 123 1.390 -5.703 11.652 1.00 0.00 N ATOM 1835 CE2 TRP A 123 0.921 -6.012 12.904 1.00 0.00 C ATOM 1836 CE3 TRP A 123 -0.942 -5.422 14.313 1.00 0.00 C ATOM 1837 CZ2 TRP A 123 1.437 -6.870 13.869 1.00 0.00 C ATOM 1838 CZ3 TRP A 123 -0.432 -6.275 15.269 1.00 0.00 C ATOM 1839 CH2 TRP A 123 0.750 -6.990 15.043 1.00 0.00 C ATOM 0 H TRP A 123 -2.077 -4.057 8.976 1.00 0.00 H new ATOM 0 HA TRP A 123 -3.205 -5.039 11.518 1.00 0.00 H new ATOM 0 HB2 TRP A 123 -1.270 -2.717 11.105 1.00 0.00 H new ATOM 0 HB3 TRP A 123 -1.987 -3.190 12.633 1.00 0.00 H new ATOM 0 HD1 TRP A 123 0.654 -4.385 10.077 1.00 0.00 H new ATOM 0 HE1 TRP A 123 2.236 -6.081 11.225 1.00 0.00 H new ATOM 0 HE3 TRP A 123 -1.854 -4.874 14.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 2.349 -7.422 13.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 -0.953 -6.393 16.208 1.00 0.00 H new ATOM 0 HH2 TRP A 123 1.126 -7.649 15.812 1.00 0.00 H new ATOM 1850 N ALA A 124 -4.776 -3.090 11.692 1.00 0.00 N ATOM 1851 CA ALA A 124 -5.805 -2.073 11.704 1.00 0.00 C ATOM 1852 C ALA A 124 -5.518 -1.077 12.816 1.00 0.00 C ATOM 1853 O ALA A 124 -5.236 -1.469 13.951 1.00 0.00 O ATOM 1854 CB ALA A 124 -7.179 -2.701 11.887 1.00 0.00 C ATOM 0 H ALA A 124 -4.800 -3.717 12.496 1.00 0.00 H new ATOM 0 HA ALA A 124 -5.802 -1.551 10.747 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -7.938 -1.919 11.893 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -7.376 -3.391 11.067 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -7.208 -3.243 12.832 1.00 0.00 H new ATOM 1860 N LEU A 125 -5.562 0.203 12.493 1.00 0.00 N ATOM 1861 CA LEU A 125 -5.295 1.235 13.479 1.00 0.00 C ATOM 1862 C LEU A 125 -6.542 1.483 14.317 1.00 0.00 C ATOM 1863 O LEU A 125 -7.661 1.477 13.795 1.00 0.00 O ATOM 1864 CB LEU A 125 -4.844 2.531 12.794 1.00 0.00 C ATOM 1865 CG LEU A 125 -4.443 3.670 13.736 1.00 0.00 C ATOM 1866 CD1 LEU A 125 -3.267 3.261 14.610 1.00 0.00 C ATOM 1867 CD2 LEU A 125 -4.101 4.919 12.939 1.00 0.00 C ATOM 0 H LEU A 125 -5.779 0.552 11.560 1.00 0.00 H new ATOM 0 HA LEU A 125 -4.490 0.898 14.132 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -3.997 2.303 12.146 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -5.652 2.882 12.151 1.00 0.00 H new ATOM 0 HG LEU A 125 -5.290 3.890 14.386 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.000 4.086 15.270 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -3.543 2.392 15.208 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -2.414 3.011 13.979 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -3.818 5.720 13.622 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -3.271 4.705 12.266 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -4.969 5.228 12.357 1.00 0.00 H new ATOM 1879 N ALA A 126 -6.348 1.671 15.614 1.00 0.00 N ATOM 1880 CA ALA A 126 -7.450 1.968 16.516 1.00 0.00 C ATOM 1881 C ALA A 126 -8.123 3.280 16.122 1.00 0.00 C ATOM 1882 O ALA A 126 -7.450 4.224 15.703 1.00 0.00 O ATOM 1883 CB ALA A 126 -6.957 2.032 17.956 1.00 0.00 C ATOM 0 H ALA A 126 -5.435 1.623 16.066 1.00 0.00 H new ATOM 0 HA ALA A 126 -8.185 1.167 16.439 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -7.794 2.255 18.618 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -6.520 1.073 18.234 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -6.203 2.814 18.048 1.00 0.00 H new ATOM 1889 N PRO A 127 -9.458 3.353 16.250 1.00 0.00 N ATOM 1890 CA PRO A 127 -10.235 4.542 15.863 1.00 0.00 C ATOM 1891 C PRO A 127 -9.807 5.799 16.618 1.00 0.00 C ATOM 1892 O PRO A 127 -10.051 6.917 16.170 1.00 0.00 O ATOM 1893 CB PRO A 127 -11.678 4.167 16.225 1.00 0.00 C ATOM 1894 CG PRO A 127 -11.686 2.678 16.280 1.00 0.00 C ATOM 1895 CD PRO A 127 -10.323 2.279 16.765 1.00 0.00 C ATOM 0 HA PRO A 127 -10.094 4.785 14.810 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -11.970 4.599 17.182 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -12.381 4.538 15.480 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -12.462 2.316 16.954 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -11.892 2.252 15.298 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -10.284 2.217 17.853 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -10.027 1.303 16.379 1.00 0.00 H new ATOM 1903 N ASP A 128 -9.168 5.606 17.762 1.00 0.00 N ATOM 1904 CA ASP A 128 -8.698 6.718 18.581 1.00 0.00 C ATOM 1905 C ASP A 128 -7.168 6.726 18.616 1.00 0.00 C ATOM 1906 O ASP A 128 -6.561 7.220 19.561 1.00 0.00 O ATOM 1907 CB ASP A 128 -9.281 6.596 19.999 1.00 0.00 C ATOM 1908 CG ASP A 128 -9.015 7.814 20.874 1.00 0.00 C ATOM 1909 OD1 ASP A 128 -9.574 8.894 20.591 1.00 0.00 O ATOM 1910 OD2 ASP A 128 -8.253 7.691 21.857 1.00 0.00 O ATOM 0 H ASP A 128 -8.961 4.685 18.148 1.00 0.00 H new ATOM 0 HA ASP A 128 -9.034 7.660 18.149 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -10.357 6.438 19.928 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -8.860 5.714 20.481 1.00 0.00 H new ATOM 1915 N ARG A 129 -6.560 6.165 17.556 1.00 0.00 N ATOM 1916 CA ARG A 129 -5.092 6.073 17.396 1.00 0.00 C ATOM 1917 C ARG A 129 -4.407 5.586 18.673 1.00 0.00 C ATOM 1918 O ARG A 129 -3.278 5.972 18.975 1.00 0.00 O ATOM 1919 CB ARG A 129 -4.475 7.408 16.925 1.00 0.00 C ATOM 1920 CG ARG A 129 -4.627 8.563 17.904 1.00 0.00 C ATOM 1921 CD ARG A 129 -3.872 9.798 17.450 1.00 0.00 C ATOM 1922 NE ARG A 129 -4.232 10.969 18.251 1.00 0.00 N ATOM 1923 CZ ARG A 129 -3.453 12.036 18.424 1.00 0.00 C ATOM 1924 NH1 ARG A 129 -2.220 12.055 17.933 1.00 0.00 N ATOM 1925 NH2 ARG A 129 -3.899 13.075 19.119 1.00 0.00 N ATOM 0 H ARG A 129 -7.076 5.758 16.776 1.00 0.00 H new ATOM 0 HA ARG A 129 -4.916 5.331 16.617 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -3.414 7.253 16.730 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -4.935 7.690 15.978 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -5.684 8.806 18.017 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -4.264 8.257 18.885 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -2.799 9.619 17.526 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -4.089 9.993 16.400 1.00 0.00 H new ATOM 0 HE ARG A 129 -5.143 10.968 18.709 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -1.863 11.249 17.419 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -1.629 12.875 18.069 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -4.837 13.056 19.520 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -3.304 13.893 19.252 1.00 0.00 H new ATOM 1939 N SER A 130 -5.087 4.710 19.398 1.00 0.00 N ATOM 1940 CA SER A 130 -4.570 4.168 20.643 1.00 0.00 C ATOM 1941 C SER A 130 -3.389 3.241 20.376 1.00 0.00 C ATOM 1942 O SER A 130 -2.396 3.247 21.109 1.00 0.00 O ATOM 1943 CB SER A 130 -5.682 3.398 21.351 1.00 0.00 C ATOM 1944 OG SER A 130 -6.952 3.941 21.024 1.00 0.00 O ATOM 0 H SER A 130 -6.009 4.357 19.140 1.00 0.00 H new ATOM 0 HA SER A 130 -4.226 4.988 21.273 1.00 0.00 H new ATOM 0 HB2 SER A 130 -5.645 2.347 21.063 1.00 0.00 H new ATOM 0 HB3 SER A 130 -5.530 3.438 22.430 1.00 0.00 H new ATOM 0 HG SER A 130 -7.653 3.434 21.485 1.00 0.00 H new ATOM 1950 N GLU A 131 -3.509 2.451 19.312 1.00 0.00 N ATOM 1951 CA GLU A 131 -2.513 1.445 18.967 1.00 0.00 C ATOM 1952 C GLU A 131 -2.916 0.729 17.686 1.00 0.00 C ATOM 1953 O GLU A 131 -3.911 1.091 17.050 1.00 0.00 O ATOM 1954 CB GLU A 131 -2.367 0.429 20.104 1.00 0.00 C ATOM 1955 CG GLU A 131 -3.689 -0.186 20.538 1.00 0.00 C ATOM 1956 CD GLU A 131 -3.565 -1.019 21.795 1.00 0.00 C ATOM 1957 OE1 GLU A 131 -2.704 -0.698 22.642 1.00 0.00 O ATOM 1958 OE2 GLU A 131 -4.330 -1.993 21.944 1.00 0.00 O ATOM 0 H GLU A 131 -4.298 2.491 18.667 1.00 0.00 H new ATOM 0 HA GLU A 131 -1.556 1.943 18.813 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -1.692 -0.366 19.787 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -1.903 0.918 20.961 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -4.416 0.608 20.705 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -4.076 -0.809 19.732 1.00 0.00 H new ATOM 1965 N PHE A 132 -2.154 -0.289 17.319 1.00 0.00 N ATOM 1966 CA PHE A 132 -2.481 -1.109 16.161 1.00 0.00 C ATOM 1967 C PHE A 132 -3.010 -2.458 16.619 1.00 0.00 C ATOM 1968 O PHE A 132 -2.566 -2.991 17.635 1.00 0.00 O ATOM 1969 CB PHE A 132 -1.250 -1.321 15.271 1.00 0.00 C ATOM 1970 CG PHE A 132 -0.794 -0.091 14.537 1.00 0.00 C ATOM 1971 CD1 PHE A 132 0.051 0.821 15.143 1.00 0.00 C ATOM 1972 CD2 PHE A 132 -1.202 0.142 13.233 1.00 0.00 C ATOM 1973 CE1 PHE A 132 0.482 1.945 14.465 1.00 0.00 C ATOM 1974 CE2 PHE A 132 -0.774 1.264 12.550 1.00 0.00 C ATOM 1975 CZ PHE A 132 0.069 2.166 13.168 1.00 0.00 C ATOM 0 H PHE A 132 -1.303 -0.568 17.807 1.00 0.00 H new ATOM 0 HA PHE A 132 -3.244 -0.589 15.581 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -0.429 -1.686 15.888 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -1.473 -2.101 14.544 1.00 0.00 H new ATOM 0 HD1 PHE A 132 0.378 0.652 16.158 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -1.861 -0.561 12.746 1.00 0.00 H new ATOM 0 HE1 PHE A 132 1.141 2.650 14.950 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -1.098 1.435 11.534 1.00 0.00 H new ATOM 0 HZ PHE A 132 0.405 3.044 12.636 1.00 0.00 H new ATOM 1985 N HIS A 133 -3.963 -3.001 15.885 1.00 0.00 N ATOM 1986 CA HIS A 133 -4.498 -4.319 16.191 1.00 0.00 C ATOM 1987 C HIS A 133 -4.373 -5.210 14.977 1.00 0.00 C ATOM 1988 O HIS A 133 -4.465 -4.746 13.842 1.00 0.00 O ATOM 1989 CB HIS A 133 -5.957 -4.237 16.645 1.00 0.00 C ATOM 1990 CG HIS A 133 -6.120 -3.714 18.038 1.00 0.00 C ATOM 1991 ND1 HIS A 133 -6.312 -4.529 19.131 1.00 0.00 N ATOM 1992 CD2 HIS A 133 -6.103 -2.449 18.518 1.00 0.00 C ATOM 1993 CE1 HIS A 133 -6.405 -3.792 20.218 1.00 0.00 C ATOM 1994 NE2 HIS A 133 -6.279 -2.524 19.879 1.00 0.00 N ATOM 0 H HIS A 133 -4.384 -2.552 15.072 1.00 0.00 H new ATOM 0 HA HIS A 133 -3.921 -4.743 17.013 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -6.508 -3.595 15.958 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -6.405 -5.229 16.583 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -5.975 -1.547 17.938 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -6.559 -4.164 21.220 1.00 0.00 H new ATOM 0 HE2 HIS A 133 -6.307 -1.731 20.520 1.00 0.00 H new ATOM 2003 N ARG A 134 -4.143 -6.483 15.219 1.00 0.00 N ATOM 2004 CA ARG A 134 -3.901 -7.425 14.148 1.00 0.00 C ATOM 2005 C ARG A 134 -5.212 -7.838 13.498 1.00 0.00 C ATOM 2006 O ARG A 134 -6.193 -8.142 14.179 1.00 0.00 O ATOM 2007 CB ARG A 134 -3.161 -8.641 14.692 1.00 0.00 C ATOM 2008 CG ARG A 134 -2.708 -9.619 13.628 1.00 0.00 C ATOM 2009 CD ARG A 134 -1.695 -8.996 12.681 1.00 0.00 C ATOM 2010 NE ARG A 134 -0.913 -10.014 11.981 1.00 0.00 N ATOM 2011 CZ ARG A 134 -1.108 -10.381 10.717 1.00 0.00 C ATOM 2012 NH1 ARG A 134 -2.072 -9.829 9.989 1.00 0.00 N ATOM 2013 NH2 ARG A 134 -0.329 -11.310 10.180 1.00 0.00 N ATOM 0 H ARG A 134 -4.119 -6.891 16.154 1.00 0.00 H new ATOM 0 HA ARG A 134 -3.283 -6.949 13.387 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -2.290 -8.302 15.252 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -3.810 -9.162 15.396 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -2.269 -10.496 14.104 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -3.572 -9.964 13.060 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -2.213 -8.371 11.954 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -1.025 -8.344 13.242 1.00 0.00 H new ATOM 0 HE ARG A 134 -0.165 -10.476 12.498 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -2.674 -9.114 10.398 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -2.210 -10.120 9.021 1.00 0.00 H new ATOM 0 HH21 ARG A 134 0.412 -11.737 10.735 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -0.471 -11.598 9.212 1.00 0.00 H new ATOM 2027 N GLU A 135 -5.217 -7.852 12.179 1.00 0.00 N ATOM 2028 CA GLU A 135 -6.421 -8.150 11.425 1.00 0.00 C ATOM 2029 C GLU A 135 -6.107 -9.191 10.359 1.00 0.00 C ATOM 2030 O GLU A 135 -4.942 -9.399 10.016 1.00 0.00 O ATOM 2031 CB GLU A 135 -6.971 -6.872 10.786 1.00 0.00 C ATOM 2032 CG GLU A 135 -8.487 -6.844 10.658 1.00 0.00 C ATOM 2033 CD GLU A 135 -9.192 -6.883 12.003 1.00 0.00 C ATOM 2034 OE1 GLU A 135 -9.270 -5.834 12.677 1.00 0.00 O ATOM 2035 OE2 GLU A 135 -9.677 -7.964 12.392 1.00 0.00 O ATOM 0 H GLU A 135 -4.397 -7.660 11.604 1.00 0.00 H new ATOM 0 HA GLU A 135 -7.181 -8.550 12.097 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -6.651 -6.015 11.379 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -6.531 -6.756 9.795 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -8.785 -5.943 10.123 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -8.812 -7.694 10.058 1.00 0.00 H new ATOM 2042 N ASP A 136 -7.140 -9.833 9.839 1.00 0.00 N ATOM 2043 CA ASP A 136 -6.961 -10.931 8.892 1.00 0.00 C ATOM 2044 C ASP A 136 -7.216 -10.474 7.456 1.00 0.00 C ATOM 2045 O ASP A 136 -8.087 -9.636 7.203 1.00 0.00 O ATOM 2046 CB ASP A 136 -7.889 -12.096 9.254 1.00 0.00 C ATOM 2047 CG ASP A 136 -7.631 -13.328 8.411 1.00 0.00 C ATOM 2048 OD1 ASP A 136 -6.507 -13.874 8.477 1.00 0.00 O ATOM 2049 OD2 ASP A 136 -8.544 -13.755 7.680 1.00 0.00 O ATOM 0 H ASP A 136 -8.113 -9.616 10.054 1.00 0.00 H new ATOM 0 HA ASP A 136 -5.926 -11.267 8.956 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -7.758 -12.346 10.307 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -8.925 -11.783 9.127 1.00 0.00 H new ATOM 2054 N ILE A 137 -6.448 -11.025 6.525 1.00 0.00 N ATOM 2055 CA ILE A 137 -6.552 -10.665 5.118 1.00 0.00 C ATOM 2056 C ILE A 137 -7.435 -11.663 4.374 1.00 0.00 C ATOM 2057 O ILE A 137 -7.256 -12.874 4.502 1.00 0.00 O ATOM 2058 CB ILE A 137 -5.161 -10.627 4.446 1.00 0.00 C ATOM 2059 CG1 ILE A 137 -4.219 -9.708 5.225 1.00 0.00 C ATOM 2060 CG2 ILE A 137 -5.280 -10.172 2.997 1.00 0.00 C ATOM 2061 CD1 ILE A 137 -2.799 -9.716 4.701 1.00 0.00 C ATOM 0 H ILE A 137 -5.739 -11.731 6.723 1.00 0.00 H new ATOM 0 HA ILE A 137 -6.997 -9.671 5.068 1.00 0.00 H new ATOM 0 HB ILE A 137 -4.744 -11.634 4.454 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -4.606 -8.689 5.189 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -4.213 -10.010 6.272 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -4.291 -10.151 2.540 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -5.918 -10.865 2.449 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -5.716 -9.174 2.964 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -2.186 -9.042 5.300 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -2.394 -10.726 4.763 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -2.793 -9.385 3.662 1.00 0.00 H new ATOM 2073 N VAL A 138 -8.374 -11.152 3.592 1.00 0.00 N ATOM 2074 CA VAL A 138 -9.261 -11.998 2.806 1.00 0.00 C ATOM 2075 C VAL A 138 -8.939 -11.888 1.320 1.00 0.00 C ATOM 2076 O VAL A 138 -8.463 -10.851 0.849 1.00 0.00 O ATOM 2077 CB VAL A 138 -10.751 -11.657 3.047 1.00 0.00 C ATOM 2078 CG1 VAL A 138 -11.257 -12.349 4.302 1.00 0.00 C ATOM 2079 CG2 VAL A 138 -10.951 -10.154 3.167 1.00 0.00 C ATOM 0 H VAL A 138 -8.542 -10.152 3.484 1.00 0.00 H new ATOM 0 HA VAL A 138 -9.094 -13.024 3.134 1.00 0.00 H new ATOM 0 HB VAL A 138 -11.322 -12.015 2.190 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -12.306 -12.099 4.457 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -11.154 -13.428 4.189 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -10.674 -12.017 5.161 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -12.006 -9.940 3.336 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -10.365 -9.775 4.004 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -10.625 -9.669 2.247 1.00 0.00 H new ATOM 2089 N ARG A 139 -9.187 -12.965 0.589 1.00 0.00 N ATOM 2090 CA ARG A 139 -8.831 -13.036 -0.821 1.00 0.00 C ATOM 2091 C ARG A 139 -10.019 -12.623 -1.695 1.00 0.00 C ATOM 2092 O ARG A 139 -11.158 -12.979 -1.398 1.00 0.00 O ATOM 2093 CB ARG A 139 -8.375 -14.458 -1.166 1.00 0.00 C ATOM 2094 CG ARG A 139 -7.279 -14.509 -2.219 1.00 0.00 C ATOM 2095 CD ARG A 139 -6.876 -15.935 -2.547 1.00 0.00 C ATOM 2096 NE ARG A 139 -7.858 -16.600 -3.398 1.00 0.00 N ATOM 2097 CZ ARG A 139 -7.546 -17.552 -4.277 1.00 0.00 C ATOM 2098 NH1 ARG A 139 -6.298 -17.999 -4.369 1.00 0.00 N ATOM 2099 NH2 ARG A 139 -8.480 -18.069 -5.067 1.00 0.00 N ATOM 0 H ARG A 139 -9.636 -13.806 0.951 1.00 0.00 H new ATOM 0 HA ARG A 139 -8.011 -12.345 -1.017 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -8.018 -14.946 -0.259 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -9.233 -15.030 -1.519 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -7.623 -14.011 -3.126 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -6.408 -13.958 -1.864 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -5.907 -15.932 -3.046 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -6.756 -16.500 -1.622 1.00 0.00 H new ATOM 0 HE ARG A 139 -8.836 -16.321 -3.315 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -5.572 -17.613 -3.765 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -6.066 -18.728 -5.044 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -9.443 -17.738 -5.003 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -8.235 -18.797 -5.738 1.00 0.00 H new ATOM 2113 N PRO A 140 -9.741 -11.855 -2.773 1.00 0.00 N ATOM 2114 CA PRO A 140 -10.725 -11.314 -3.716 1.00 0.00 C ATOM 2115 C PRO A 140 -12.014 -12.115 -3.863 1.00 0.00 C ATOM 2116 O PRO A 140 -12.011 -13.314 -4.161 1.00 0.00 O ATOM 2117 CB PRO A 140 -9.943 -11.324 -5.018 1.00 0.00 C ATOM 2118 CG PRO A 140 -8.544 -11.009 -4.611 1.00 0.00 C ATOM 2119 CD PRO A 140 -8.395 -11.422 -3.165 1.00 0.00 C ATOM 0 HA PRO A 140 -11.092 -10.344 -3.381 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -10.005 -12.294 -5.511 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -10.329 -10.584 -5.719 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -7.831 -11.543 -5.239 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -8.339 -9.945 -4.730 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -7.669 -12.228 -3.054 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -8.048 -10.593 -2.548 1.00 0.00 H new ATOM 2127 N ASP A 141 -13.113 -11.414 -3.660 1.00 0.00 N ATOM 2128 CA ASP A 141 -14.445 -11.969 -3.794 1.00 0.00 C ATOM 2129 C ASP A 141 -15.153 -11.359 -4.998 1.00 0.00 C ATOM 2130 O ASP A 141 -15.483 -10.176 -5.003 1.00 0.00 O ATOM 2131 CB ASP A 141 -15.246 -11.698 -2.519 1.00 0.00 C ATOM 2132 CG ASP A 141 -14.771 -10.447 -1.798 1.00 0.00 C ATOM 2133 OD1 ASP A 141 -14.602 -9.391 -2.448 1.00 0.00 O ATOM 2134 OD2 ASP A 141 -14.525 -10.521 -0.579 1.00 0.00 O ATOM 0 H ASP A 141 -13.105 -10.429 -3.394 1.00 0.00 H new ATOM 0 HA ASP A 141 -14.368 -13.046 -3.946 1.00 0.00 H new ATOM 0 HB2 ASP A 141 -16.301 -11.592 -2.771 1.00 0.00 H new ATOM 0 HB3 ASP A 141 -15.162 -12.555 -1.850 1.00 0.00 H new