USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 961 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 115 HIS :FLIP no HD1:sc= -0.204 X(o=-0.63,f=-0.41) USER MOD Set 1.2: A 119 GLN :FLIP amide:sc= -0.204 F(o=-5.9!,f=-0.41) USER MOD Set 2.1: A 55 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 105 LYS NZ :NH3+ 175:sc= 0.655 (180deg=0.651) USER MOD Set 3.1: A 99 MET CE :methyl 175:sc=-0.00596 (180deg=-0.0197) USER MOD Set 3.2: A 102 GLN : amide:sc= 0.214 X(o=0.21,f=-0.055) USER MOD Set 4.1: A 77 ASN : amide:sc= 0.0697 X(o=0.22,f=0.22) USER MOD Set 4.2: A 79 SER OG : rot 180:sc= 0.154 USER MOD Set 5.1: A 42 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 56 ASN : amide:sc= 0.669 X(o=0.67,f=0.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -109:sc= 0.0375 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HE2:sc= 0.834 K(o=0.83,f=-2.6!) USER MOD Single : A 6 GLN : amide:sc= 1.83 K(o=1.8,f=-4.1!) USER MOD Single : A 9 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0169) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HE2:sc= 1.52 K(o=1.5,f=-10!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0.0876 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -0.255 K(o=-0.25,f=-1.1) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0.0146 USER MOD Single : A 52 SER OG : rot 180:sc= 0.152 USER MOD Single : A 57 SER OG : rot 180:sc= -0.0212 USER MOD Single : A 61 LYS NZ :NH3+ 144:sc= 1.27 (180deg=0.607) USER MOD Single : A 72 CYS SG : rot -67:sc= 0.58 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 149:sc= 0.136 USER MOD Single : A 78 ASN : amide:sc= 0.14 K(o=0.14,f=-7.1!) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 TYR OH : rot 30:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 1.31 K(o=1.3,f=-4.8!) USER MOD Single : A 94 SER OG : rot 62:sc= 1.28 USER MOD Single : A 95 SER OG : rot 78:sc= 0.856 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl -157:sc= -0.119 (180deg=-1.1) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0.074 USER MOD Single : A 110 SER OG : rot 180:sc= 0.00109 USER MOD Single : A 112 ASN : amide:sc= 0.633 K(o=0.63,f=-0.011) USER MOD Single : A 113 CYS SG : rot 86:sc= 0.0291 USER MOD Single : A 118 THR OG1 : rot 69:sc= 1.37 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot 22:sc= 0.752 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.812 -8.060 -6.025 1.00 0.00 N ATOM 2 CA MET A 1 16.822 -7.875 -7.130 1.00 0.00 C ATOM 3 C MET A 1 15.535 -7.216 -6.613 1.00 0.00 C ATOM 4 O MET A 1 15.197 -7.348 -5.434 1.00 0.00 O ATOM 5 CB MET A 1 16.485 -9.200 -7.855 1.00 0.00 C ATOM 6 CG MET A 1 17.665 -9.779 -8.648 1.00 0.00 C ATOM 7 SD MET A 1 17.254 -11.278 -9.589 1.00 0.00 S ATOM 8 CE MET A 1 18.864 -11.612 -10.352 1.00 0.00 C ATOM 0 H1 MET A 1 18.604 -7.398 -6.154 1.00 0.00 H new ATOM 0 H2 MET A 1 17.351 -7.875 -5.111 1.00 0.00 H new ATOM 0 H3 MET A 1 18.171 -9.036 -6.040 1.00 0.00 H new ATOM 0 HA MET A 1 17.294 -7.215 -7.858 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.156 -9.934 -7.120 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.649 -9.032 -8.534 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.035 -9.019 -9.337 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.477 -10.006 -7.958 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.795 -12.507 -10.971 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.156 -10.764 -10.971 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.611 -11.767 -9.573 1.00 0.00 H new ATOM 20 N ALA A 2 14.808 -6.508 -7.486 1.00 0.00 N ATOM 21 CA ALA A 2 13.522 -5.867 -7.165 1.00 0.00 C ATOM 22 C ALA A 2 12.355 -6.877 -7.099 1.00 0.00 C ATOM 23 O ALA A 2 12.431 -7.980 -7.644 1.00 0.00 O ATOM 24 CB ALA A 2 13.261 -4.762 -8.202 1.00 0.00 C ATOM 0 H ALA A 2 15.100 -6.361 -8.452 1.00 0.00 H new ATOM 0 HA ALA A 2 13.583 -5.432 -6.167 1.00 0.00 H new ATOM 0 HB1 ALA A 2 12.312 -4.274 -7.982 1.00 0.00 H new ATOM 0 HB2 ALA A 2 14.065 -4.027 -8.161 1.00 0.00 H new ATOM 0 HB3 ALA A 2 13.221 -5.201 -9.199 1.00 0.00 H new ATOM 30 N SER A 3 11.253 -6.480 -6.460 1.00 0.00 N ATOM 31 CA SER A 3 10.054 -7.307 -6.225 1.00 0.00 C ATOM 32 C SER A 3 8.848 -6.449 -5.763 1.00 0.00 C ATOM 33 O SER A 3 9.052 -5.301 -5.336 1.00 0.00 O ATOM 34 CB SER A 3 10.361 -8.419 -5.196 1.00 0.00 C ATOM 35 OG SER A 3 10.767 -7.891 -3.939 1.00 0.00 O ATOM 0 H SER A 3 11.161 -5.540 -6.075 1.00 0.00 H new ATOM 0 HA SER A 3 9.779 -7.772 -7.172 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.475 -9.039 -5.059 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.146 -9.067 -5.587 1.00 0.00 H new ATOM 0 HG SER A 3 10.949 -8.627 -3.318 1.00 0.00 H new ATOM 41 N PRO A 4 7.599 -6.966 -5.827 1.00 0.00 N ATOM 42 CA PRO A 4 6.408 -6.274 -5.325 1.00 0.00 C ATOM 43 C PRO A 4 6.493 -5.954 -3.826 1.00 0.00 C ATOM 44 O PRO A 4 7.000 -6.753 -3.038 1.00 0.00 O ATOM 45 CB PRO A 4 5.217 -7.195 -5.624 1.00 0.00 C ATOM 46 CG PRO A 4 5.709 -8.041 -6.792 1.00 0.00 C ATOM 47 CD PRO A 4 7.195 -8.205 -6.488 1.00 0.00 C ATOM 0 HA PRO A 4 6.305 -5.307 -5.817 1.00 0.00 H new ATOM 0 HB2 PRO A 4 4.959 -7.811 -4.762 1.00 0.00 H new ATOM 0 HB3 PRO A 4 4.325 -6.626 -5.887 1.00 0.00 H new ATOM 0 HG2 PRO A 4 5.197 -9.002 -6.839 1.00 0.00 H new ATOM 0 HG3 PRO A 4 5.544 -7.545 -7.748 1.00 0.00 H new ATOM 0 HD2 PRO A 4 7.371 -9.068 -5.845 1.00 0.00 H new ATOM 0 HD3 PRO A 4 7.767 -8.366 -7.402 1.00 0.00 H new ATOM 55 N HIS A 5 5.962 -4.794 -3.431 1.00 0.00 N ATOM 56 CA HIS A 5 5.934 -4.299 -2.045 1.00 0.00 C ATOM 57 C HIS A 5 4.584 -3.623 -1.709 1.00 0.00 C ATOM 58 O HIS A 5 3.874 -3.129 -2.592 1.00 0.00 O ATOM 59 CB HIS A 5 7.098 -3.308 -1.831 1.00 0.00 C ATOM 60 CG HIS A 5 8.444 -3.963 -1.618 1.00 0.00 C ATOM 61 ND1 HIS A 5 9.248 -4.536 -2.580 1.00 0.00 N ATOM 62 CD2 HIS A 5 9.106 -4.084 -0.424 1.00 0.00 C ATOM 63 CE1 HIS A 5 10.355 -5.001 -1.979 1.00 0.00 C ATOM 64 NE2 HIS A 5 10.324 -4.741 -0.657 1.00 0.00 N ATOM 0 H HIS A 5 5.523 -4.148 -4.088 1.00 0.00 H new ATOM 0 HA HIS A 5 6.048 -5.150 -1.374 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.161 -2.648 -2.696 1.00 0.00 H new ATOM 0 HB3 HIS A 5 6.872 -2.681 -0.968 1.00 0.00 H new ATOM 0 HD1 HIS A 5 9.038 -4.596 -3.576 1.00 0.00 H new ATOM 0 HD2 HIS A 5 8.751 -3.733 0.534 1.00 0.00 H new ATOM 0 HE1 HIS A 5 11.160 -5.513 -2.485 1.00 0.00 H new ATOM 72 N GLN A 6 4.239 -3.576 -0.414 1.00 0.00 N ATOM 73 CA GLN A 6 2.995 -3.005 0.117 1.00 0.00 C ATOM 74 C GLN A 6 3.197 -2.633 1.597 1.00 0.00 C ATOM 75 O GLN A 6 3.849 -3.377 2.333 1.00 0.00 O ATOM 76 CB GLN A 6 1.856 -4.035 -0.069 1.00 0.00 C ATOM 77 CG GLN A 6 0.478 -3.532 0.393 1.00 0.00 C ATOM 78 CD GLN A 6 -0.648 -4.501 0.021 1.00 0.00 C ATOM 79 OE1 GLN A 6 -1.422 -4.259 -0.897 1.00 0.00 O ATOM 80 NE2 GLN A 6 -0.800 -5.618 0.706 1.00 0.00 N ATOM 0 H GLN A 6 4.842 -3.949 0.319 1.00 0.00 H new ATOM 0 HA GLN A 6 2.724 -2.096 -0.419 1.00 0.00 H new ATOM 0 HB2 GLN A 6 1.797 -4.310 -1.122 1.00 0.00 H new ATOM 0 HB3 GLN A 6 2.105 -4.941 0.484 1.00 0.00 H new ATOM 0 HG2 GLN A 6 0.489 -3.389 1.474 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.280 -2.558 -0.055 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -0.165 -5.836 1.474 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -1.553 -6.264 0.468 1.00 0.00 H new ATOM 89 N GLU A 7 2.638 -1.504 2.054 1.00 0.00 N ATOM 90 CA GLU A 7 2.846 -0.994 3.420 1.00 0.00 C ATOM 91 C GLU A 7 1.674 -0.128 3.930 1.00 0.00 C ATOM 92 O GLU A 7 1.214 0.760 3.201 1.00 0.00 O ATOM 93 CB GLU A 7 4.174 -0.211 3.536 1.00 0.00 C ATOM 94 CG GLU A 7 4.415 0.860 2.461 1.00 0.00 C ATOM 95 CD GLU A 7 5.790 1.517 2.654 1.00 0.00 C ATOM 96 OE1 GLU A 7 5.882 2.536 3.381 1.00 0.00 O ATOM 97 OE2 GLU A 7 6.786 1.031 2.066 1.00 0.00 O ATOM 0 H GLU A 7 2.027 -0.916 1.487 1.00 0.00 H new ATOM 0 HA GLU A 7 2.897 -1.876 4.059 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.207 0.269 4.514 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.998 -0.924 3.503 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.357 0.409 1.470 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.633 1.618 2.512 1.00 0.00 H new ATOM 104 N PRO A 8 1.206 -0.348 5.178 1.00 0.00 N ATOM 105 CA PRO A 8 0.261 0.534 5.854 1.00 0.00 C ATOM 106 C PRO A 8 1.002 1.718 6.487 1.00 0.00 C ATOM 107 O PRO A 8 2.171 1.616 6.864 1.00 0.00 O ATOM 108 CB PRO A 8 -0.408 -0.342 6.913 1.00 0.00 C ATOM 109 CG PRO A 8 0.727 -1.276 7.330 1.00 0.00 C ATOM 110 CD PRO A 8 1.495 -1.497 6.029 1.00 0.00 C ATOM 0 HA PRO A 8 -0.474 0.964 5.173 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.779 0.247 7.752 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.258 -0.891 6.508 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.357 -0.826 8.098 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.348 -2.213 7.738 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.565 -1.580 6.219 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.184 -2.424 5.548 1.00 0.00 H new ATOM 118 N LYS A 9 0.304 2.849 6.626 1.00 0.00 N ATOM 119 CA LYS A 9 0.794 4.052 7.316 1.00 0.00 C ATOM 120 C LYS A 9 0.170 4.182 8.722 1.00 0.00 C ATOM 121 O LYS A 9 -0.912 3.638 8.961 1.00 0.00 O ATOM 122 CB LYS A 9 0.527 5.281 6.422 1.00 0.00 C ATOM 123 CG LYS A 9 1.687 5.603 5.461 1.00 0.00 C ATOM 124 CD LYS A 9 2.215 4.393 4.666 1.00 0.00 C ATOM 125 CE LYS A 9 3.245 4.787 3.594 1.00 0.00 C ATOM 126 NZ LYS A 9 2.642 5.534 2.455 1.00 0.00 N ATOM 0 H LYS A 9 -0.639 2.959 6.254 1.00 0.00 H new ATOM 0 HA LYS A 9 1.869 3.978 7.479 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.379 5.108 5.841 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.339 6.148 7.056 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.357 6.368 4.758 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.509 6.031 6.035 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.669 3.681 5.355 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.377 3.884 4.189 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.022 5.399 4.052 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.730 3.887 3.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.365 5.698 1.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.862 4.978 2.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.277 6.447 2.793 1.00 0.00 H new ATOM 140 N PRO A 10 0.845 4.849 9.680 1.00 0.00 N ATOM 141 CA PRO A 10 0.427 4.825 11.072 1.00 0.00 C ATOM 142 C PRO A 10 -0.905 5.568 11.246 1.00 0.00 C ATOM 143 O PRO A 10 -1.102 6.660 10.713 1.00 0.00 O ATOM 144 CB PRO A 10 1.600 5.397 11.877 1.00 0.00 C ATOM 145 CG PRO A 10 2.278 6.327 10.872 1.00 0.00 C ATOM 146 CD PRO A 10 2.097 5.585 9.546 1.00 0.00 C ATOM 0 HA PRO A 10 0.215 3.821 11.439 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.259 5.936 12.761 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.274 4.613 12.222 1.00 0.00 H new ATOM 0 HG2 PRO A 10 1.809 7.311 10.852 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.331 6.480 11.109 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.055 6.282 8.709 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.931 4.909 9.357 1.00 0.00 H new ATOM 154 N GLY A 11 -1.837 4.920 11.954 1.00 0.00 N ATOM 155 CA GLY A 11 -3.229 5.354 12.132 1.00 0.00 C ATOM 156 C GLY A 11 -4.184 4.894 11.028 1.00 0.00 C ATOM 157 O GLY A 11 -5.389 5.105 11.165 1.00 0.00 O ATOM 0 H GLY A 11 -1.635 4.045 12.438 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.593 4.980 13.089 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.253 6.442 12.185 1.00 0.00 H new ATOM 161 N ASP A 12 -3.686 4.280 9.954 1.00 0.00 N ATOM 162 CA ASP A 12 -4.476 3.738 8.839 1.00 0.00 C ATOM 163 C ASP A 12 -4.863 2.258 9.072 1.00 0.00 C ATOM 164 O ASP A 12 -4.268 1.571 9.909 1.00 0.00 O ATOM 165 CB ASP A 12 -3.699 3.930 7.518 1.00 0.00 C ATOM 166 CG ASP A 12 -4.588 4.046 6.266 1.00 0.00 C ATOM 167 OD1 ASP A 12 -5.814 3.795 6.345 1.00 0.00 O ATOM 168 OD2 ASP A 12 -4.042 4.423 5.201 1.00 0.00 O ATOM 0 H ASP A 12 -2.684 4.139 9.829 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.415 4.288 8.775 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.087 4.828 7.598 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.017 3.090 7.387 1.00 0.00 H new ATOM 173 N LEU A 13 -5.870 1.770 8.338 1.00 0.00 N ATOM 174 CA LEU A 13 -6.448 0.432 8.506 1.00 0.00 C ATOM 175 C LEU A 13 -6.326 -0.473 7.270 1.00 0.00 C ATOM 176 O LEU A 13 -6.127 -0.035 6.135 1.00 0.00 O ATOM 177 CB LEU A 13 -7.898 0.511 9.031 1.00 0.00 C ATOM 178 CG LEU A 13 -8.982 0.816 7.979 1.00 0.00 C ATOM 179 CD1 LEU A 13 -10.347 0.461 8.569 1.00 0.00 C ATOM 180 CD2 LEU A 13 -8.991 2.290 7.566 1.00 0.00 C ATOM 0 H LEU A 13 -6.316 2.307 7.594 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.838 -0.058 9.264 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.142 -0.437 9.511 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.942 1.279 9.803 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.765 0.223 7.090 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.126 0.671 7.836 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.368 -0.598 8.827 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.522 1.056 9.465 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.772 2.455 6.823 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.185 2.912 8.440 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.023 2.554 7.140 1.00 0.00 H new ATOM 192 N ILE A 14 -6.455 -1.773 7.531 1.00 0.00 N ATOM 193 CA ILE A 14 -5.999 -2.865 6.669 1.00 0.00 C ATOM 194 C ILE A 14 -7.026 -4.004 6.696 1.00 0.00 C ATOM 195 O ILE A 14 -7.429 -4.430 7.778 1.00 0.00 O ATOM 196 CB ILE A 14 -4.636 -3.419 7.178 1.00 0.00 C ATOM 197 CG1 ILE A 14 -3.670 -2.368 7.788 1.00 0.00 C ATOM 198 CG2 ILE A 14 -3.946 -4.178 6.029 1.00 0.00 C ATOM 199 CD1 ILE A 14 -2.414 -2.985 8.415 1.00 0.00 C ATOM 0 H ILE A 14 -6.899 -2.109 8.385 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.884 -2.482 5.655 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.875 -4.081 8.011 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.371 -1.666 7.010 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.202 -1.795 8.547 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.990 -4.571 6.375 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.581 -5.003 5.705 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.778 -3.499 5.193 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.784 -2.194 8.822 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.704 -3.666 9.216 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.860 -3.535 7.654 1.00 0.00 H new ATOM 211 N GLU A 15 -7.424 -4.509 5.533 1.00 0.00 N ATOM 212 CA GLU A 15 -8.206 -5.735 5.397 1.00 0.00 C ATOM 213 C GLU A 15 -7.222 -6.909 5.380 1.00 0.00 C ATOM 214 O GLU A 15 -6.271 -6.910 4.596 1.00 0.00 O ATOM 215 CB GLU A 15 -9.022 -5.731 4.095 1.00 0.00 C ATOM 216 CG GLU A 15 -10.135 -4.683 4.089 1.00 0.00 C ATOM 217 CD GLU A 15 -10.960 -4.784 2.797 1.00 0.00 C ATOM 218 OE1 GLU A 15 -11.923 -5.586 2.748 1.00 0.00 O ATOM 219 OE2 GLU A 15 -10.647 -4.071 1.815 1.00 0.00 O ATOM 0 H GLU A 15 -7.208 -4.069 4.639 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.908 -5.817 6.227 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.353 -5.547 3.254 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.459 -6.718 3.944 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.783 -4.827 4.954 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.704 -3.685 4.176 1.00 0.00 H new ATOM 226 N ILE A 16 -7.439 -7.909 6.233 1.00 0.00 N ATOM 227 CA ILE A 16 -6.603 -9.108 6.365 1.00 0.00 C ATOM 228 C ILE A 16 -7.400 -10.331 5.891 1.00 0.00 C ATOM 229 O ILE A 16 -8.464 -10.645 6.427 1.00 0.00 O ATOM 230 CB ILE A 16 -6.131 -9.290 7.830 1.00 0.00 C ATOM 231 CG1 ILE A 16 -5.503 -8.032 8.482 1.00 0.00 C ATOM 232 CG2 ILE A 16 -5.159 -10.479 7.919 1.00 0.00 C ATOM 233 CD1 ILE A 16 -4.259 -7.472 7.778 1.00 0.00 C ATOM 0 H ILE A 16 -8.231 -7.909 6.876 1.00 0.00 H new ATOM 0 HA ILE A 16 -5.713 -8.998 5.745 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.036 -9.483 8.406 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.260 -7.249 8.521 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.239 -8.272 9.512 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.830 -10.603 8.951 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.663 -11.387 7.587 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.295 -10.291 7.282 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.901 -6.594 8.316 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.477 -8.231 7.762 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.514 -7.192 6.756 1.00 0.00 H new ATOM 245 N PHE A 17 -6.871 -11.047 4.901 1.00 0.00 N ATOM 246 CA PHE A 17 -7.410 -12.311 4.414 1.00 0.00 C ATOM 247 C PHE A 17 -6.927 -13.448 5.327 1.00 0.00 C ATOM 248 O PHE A 17 -5.832 -13.982 5.137 1.00 0.00 O ATOM 249 CB PHE A 17 -6.983 -12.485 2.947 1.00 0.00 C ATOM 250 CG PHE A 17 -7.485 -13.755 2.285 1.00 0.00 C ATOM 251 CD1 PHE A 17 -8.791 -13.811 1.762 1.00 0.00 C ATOM 252 CD2 PHE A 17 -6.649 -14.885 2.186 1.00 0.00 C ATOM 253 CE1 PHE A 17 -9.264 -14.991 1.162 1.00 0.00 C ATOM 254 CE2 PHE A 17 -7.121 -16.064 1.581 1.00 0.00 C ATOM 255 CZ PHE A 17 -8.429 -16.118 1.068 1.00 0.00 C ATOM 0 H PHE A 17 -6.031 -10.753 4.402 1.00 0.00 H new ATOM 0 HA PHE A 17 -8.500 -12.327 4.443 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -7.340 -11.628 2.375 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.894 -12.471 2.896 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -9.432 -12.944 1.822 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.643 -14.846 2.576 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.271 -15.032 0.773 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.478 -16.929 1.510 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.791 -17.023 0.603 1.00 0.00 H new ATOM 265 N ARG A 18 -7.732 -13.789 6.342 1.00 0.00 N ATOM 266 CA ARG A 18 -7.407 -14.800 7.356 1.00 0.00 C ATOM 267 C ARG A 18 -7.293 -16.197 6.745 1.00 0.00 C ATOM 268 O ARG A 18 -6.193 -16.745 6.669 1.00 0.00 O ATOM 269 CB ARG A 18 -8.415 -14.727 8.522 1.00 0.00 C ATOM 270 CG ARG A 18 -8.126 -15.660 9.718 1.00 0.00 C ATOM 271 CD ARG A 18 -6.674 -15.689 10.215 1.00 0.00 C ATOM 272 NE ARG A 18 -6.170 -14.334 10.500 1.00 0.00 N ATOM 273 CZ ARG A 18 -4.897 -13.985 10.627 1.00 0.00 C ATOM 274 NH1 ARG A 18 -3.922 -14.864 10.729 1.00 0.00 N ATOM 275 NH2 ARG A 18 -4.594 -12.711 10.631 1.00 0.00 N ATOM 0 H ARG A 18 -8.647 -13.360 6.484 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.422 -14.581 7.768 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.447 -13.700 8.886 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -9.407 -14.960 8.135 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.767 -15.363 10.548 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.414 -16.674 9.440 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.610 -16.299 11.116 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.041 -16.162 9.464 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.865 -13.596 10.610 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.131 -15.862 10.712 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.957 -14.547 10.825 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.330 -12.011 10.538 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.622 -12.418 10.727 1.00 0.00 H new ATOM 289 N LEU A 19 -8.425 -16.784 6.355 1.00 0.00 N ATOM 290 CA LEU A 19 -8.544 -18.216 6.053 1.00 0.00 C ATOM 291 C LEU A 19 -9.646 -18.387 4.991 1.00 0.00 C ATOM 292 O LEU A 19 -9.498 -17.867 3.885 1.00 0.00 O ATOM 293 CB LEU A 19 -8.768 -18.959 7.398 1.00 0.00 C ATOM 294 CG LEU A 19 -7.510 -19.279 8.236 1.00 0.00 C ATOM 295 CD1 LEU A 19 -7.940 -19.931 9.557 1.00 0.00 C ATOM 296 CD2 LEU A 19 -6.535 -20.217 7.505 1.00 0.00 C ATOM 0 H LEU A 19 -9.300 -16.273 6.237 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.650 -18.659 5.614 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.440 -18.358 8.010 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.283 -19.896 7.187 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.987 -18.339 8.414 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.057 -20.160 10.154 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.583 -19.246 10.109 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.485 -20.851 9.348 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.669 -20.408 8.139 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.036 -21.159 7.281 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.208 -19.750 6.576 1.00 0.00 H new ATOM 308 N GLY A 20 -10.767 -19.042 5.318 1.00 0.00 N ATOM 309 CA GLY A 20 -11.981 -19.084 4.480 1.00 0.00 C ATOM 310 C GLY A 20 -12.866 -17.843 4.687 1.00 0.00 C ATOM 311 O GLY A 20 -14.077 -17.901 4.476 1.00 0.00 O ATOM 0 H GLY A 20 -10.862 -19.568 6.187 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -11.695 -19.155 3.431 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.553 -19.981 4.715 1.00 0.00 H new ATOM 315 N TYR A 21 -12.254 -16.745 5.142 1.00 0.00 N ATOM 316 CA TYR A 21 -12.867 -15.506 5.624 1.00 0.00 C ATOM 317 C TYR A 21 -11.825 -14.385 5.812 1.00 0.00 C ATOM 318 O TYR A 21 -10.615 -14.649 5.830 1.00 0.00 O ATOM 319 CB TYR A 21 -13.618 -15.780 6.942 1.00 0.00 C ATOM 320 CG TYR A 21 -12.783 -16.299 8.098 1.00 0.00 C ATOM 321 CD1 TYR A 21 -12.608 -17.685 8.277 1.00 0.00 C ATOM 322 CD2 TYR A 21 -12.225 -15.399 9.028 1.00 0.00 C ATOM 323 CE1 TYR A 21 -11.884 -18.176 9.381 1.00 0.00 C ATOM 324 CE2 TYR A 21 -11.502 -15.883 10.137 1.00 0.00 C ATOM 325 CZ TYR A 21 -11.333 -17.274 10.317 1.00 0.00 C ATOM 326 OH TYR A 21 -10.646 -17.752 11.392 1.00 0.00 O ATOM 0 H TYR A 21 -11.236 -16.697 5.186 1.00 0.00 H new ATOM 0 HA TYR A 21 -13.574 -15.160 4.870 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -14.102 -14.856 7.258 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -14.409 -16.502 6.741 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -13.032 -18.376 7.563 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -12.352 -14.335 8.891 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -11.751 -19.240 9.511 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.077 -15.191 10.849 1.00 0.00 H new ATOM 0 HH TYR A 21 -10.331 -17.002 11.939 1.00 0.00 H new ATOM 336 N GLU A 22 -12.296 -13.148 6.002 1.00 0.00 N ATOM 337 CA GLU A 22 -11.472 -11.950 6.207 1.00 0.00 C ATOM 338 C GLU A 22 -11.783 -11.261 7.550 1.00 0.00 C ATOM 339 O GLU A 22 -12.839 -11.475 8.151 1.00 0.00 O ATOM 340 CB GLU A 22 -11.687 -10.940 5.063 1.00 0.00 C ATOM 341 CG GLU A 22 -11.443 -11.501 3.652 1.00 0.00 C ATOM 342 CD GLU A 22 -12.681 -12.195 3.057 1.00 0.00 C ATOM 343 OE1 GLU A 22 -13.697 -11.507 2.799 1.00 0.00 O ATOM 344 OE2 GLU A 22 -12.641 -13.426 2.825 1.00 0.00 O ATOM 0 H GLU A 22 -13.296 -12.945 6.018 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.433 -12.280 6.219 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.708 -10.563 5.117 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.025 -10.089 5.220 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.137 -10.689 2.992 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.617 -12.212 3.688 1.00 0.00 H new ATOM 351 N HIS A 23 -10.883 -10.385 7.995 1.00 0.00 N ATOM 352 CA HIS A 23 -11.055 -9.491 9.150 1.00 0.00 C ATOM 353 C HIS A 23 -10.230 -8.194 8.971 1.00 0.00 C ATOM 354 O HIS A 23 -9.663 -7.982 7.898 1.00 0.00 O ATOM 355 CB HIS A 23 -10.755 -10.258 10.458 1.00 0.00 C ATOM 356 CG HIS A 23 -9.309 -10.611 10.727 1.00 0.00 C ATOM 357 ND1 HIS A 23 -8.661 -10.452 11.928 1.00 0.00 N ATOM 358 CD2 HIS A 23 -8.428 -11.234 9.886 1.00 0.00 C ATOM 359 CE1 HIS A 23 -7.425 -10.957 11.814 1.00 0.00 C ATOM 360 NE2 HIS A 23 -7.232 -11.454 10.580 1.00 0.00 N ATOM 0 H HIS A 23 -9.975 -10.271 7.545 1.00 0.00 H new ATOM 0 HA HIS A 23 -12.093 -9.164 9.217 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -11.119 -9.660 11.293 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -11.334 -11.181 10.450 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -9.054 -10.022 12.765 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.622 -11.510 8.860 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -6.687 -10.964 12.603 1.00 0.00 H new ATOM 368 N TRP A 24 -10.168 -7.312 9.978 1.00 0.00 N ATOM 369 CA TRP A 24 -9.468 -6.018 9.879 1.00 0.00 C ATOM 370 C TRP A 24 -8.341 -5.840 10.909 1.00 0.00 C ATOM 371 O TRP A 24 -8.370 -6.418 12.000 1.00 0.00 O ATOM 372 CB TRP A 24 -10.467 -4.866 10.044 1.00 0.00 C ATOM 373 CG TRP A 24 -11.499 -4.690 8.980 1.00 0.00 C ATOM 374 CD1 TRP A 24 -12.701 -5.298 8.982 1.00 0.00 C ATOM 375 CD2 TRP A 24 -11.512 -3.785 7.830 1.00 0.00 C ATOM 376 NE1 TRP A 24 -13.470 -4.831 7.937 1.00 0.00 N ATOM 377 CE2 TRP A 24 -12.792 -3.880 7.202 1.00 0.00 C ATOM 378 CE3 TRP A 24 -10.594 -2.864 7.277 1.00 0.00 C ATOM 379 CZ2 TRP A 24 -13.145 -3.096 6.093 1.00 0.00 C ATOM 380 CZ3 TRP A 24 -10.940 -2.068 6.166 1.00 0.00 C ATOM 381 CH2 TRP A 24 -12.211 -2.184 5.573 1.00 0.00 C ATOM 0 H TRP A 24 -10.602 -7.473 10.887 1.00 0.00 H new ATOM 0 HA TRP A 24 -9.008 -6.006 8.891 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -10.984 -5.002 10.994 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -9.900 -3.938 10.120 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -13.016 -6.043 9.698 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -14.418 -5.148 7.733 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -9.611 -2.768 7.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -14.123 -3.192 5.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -10.225 -1.364 5.767 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -12.468 -1.573 4.720 1.00 0.00 H new ATOM 392 N ALA A 25 -7.405 -4.941 10.584 1.00 0.00 N ATOM 393 CA ALA A 25 -6.359 -4.443 11.477 1.00 0.00 C ATOM 394 C ALA A 25 -6.101 -2.926 11.322 1.00 0.00 C ATOM 395 O ALA A 25 -6.408 -2.340 10.285 1.00 0.00 O ATOM 396 CB ALA A 25 -5.085 -5.269 11.242 1.00 0.00 C ATOM 0 H ALA A 25 -7.356 -4.525 9.654 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.694 -4.566 12.507 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.293 -4.911 11.900 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.287 -6.319 11.455 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.769 -5.164 10.204 1.00 0.00 H new ATOM 402 N LEU A 26 -5.514 -2.307 12.350 1.00 0.00 N ATOM 403 CA LEU A 26 -5.145 -0.887 12.455 1.00 0.00 C ATOM 404 C LEU A 26 -3.652 -0.805 12.810 1.00 0.00 C ATOM 405 O LEU A 26 -3.232 -1.368 13.820 1.00 0.00 O ATOM 406 CB LEU A 26 -6.029 -0.264 13.565 1.00 0.00 C ATOM 407 CG LEU A 26 -6.154 1.271 13.671 1.00 0.00 C ATOM 408 CD1 LEU A 26 -4.819 2.019 13.782 1.00 0.00 C ATOM 409 CD2 LEU A 26 -6.980 1.845 12.512 1.00 0.00 C ATOM 0 H LEU A 26 -5.264 -2.821 13.195 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.305 -0.344 11.523 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.035 -0.665 13.444 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.654 -0.627 14.522 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.673 1.438 14.615 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.007 3.090 13.852 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.288 1.685 14.673 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.212 1.814 12.900 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.049 2.928 12.616 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.497 1.601 11.566 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.981 1.414 12.530 1.00 0.00 H new ATOM 421 N TYR A 27 -2.848 -0.111 12.006 1.00 0.00 N ATOM 422 CA TYR A 27 -1.396 0.028 12.211 1.00 0.00 C ATOM 423 C TYR A 27 -1.075 1.098 13.274 1.00 0.00 C ATOM 424 O TYR A 27 -1.186 2.299 13.020 1.00 0.00 O ATOM 425 CB TYR A 27 -0.767 0.326 10.842 1.00 0.00 C ATOM 426 CG TYR A 27 0.733 0.120 10.707 1.00 0.00 C ATOM 427 CD1 TYR A 27 1.290 -1.170 10.810 1.00 0.00 C ATOM 428 CD2 TYR A 27 1.553 1.196 10.329 1.00 0.00 C ATOM 429 CE1 TYR A 27 2.649 -1.384 10.506 1.00 0.00 C ATOM 430 CE2 TYR A 27 2.909 0.993 10.017 1.00 0.00 C ATOM 431 CZ TYR A 27 3.456 -0.305 10.082 1.00 0.00 C ATOM 432 OH TYR A 27 4.749 -0.520 9.712 1.00 0.00 O ATOM 0 H TYR A 27 -3.187 0.381 11.179 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.969 -0.893 12.607 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.262 -0.300 10.099 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.990 1.362 10.586 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.672 -1.999 11.123 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.137 2.191 10.277 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.074 -2.373 10.597 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.530 1.829 9.729 1.00 0.00 H new ATOM 0 HH TYR A 27 5.159 0.330 9.447 1.00 0.00 H new ATOM 442 N ILE A 28 -0.696 0.671 14.485 1.00 0.00 N ATOM 443 CA ILE A 28 -0.465 1.562 15.648 1.00 0.00 C ATOM 444 C ILE A 28 0.991 2.001 15.849 1.00 0.00 C ATOM 445 O ILE A 28 1.240 2.944 16.601 1.00 0.00 O ATOM 446 CB ILE A 28 -1.006 0.942 16.955 1.00 0.00 C ATOM 447 CG1 ILE A 28 -0.449 -0.474 17.228 1.00 0.00 C ATOM 448 CG2 ILE A 28 -2.542 0.968 16.944 1.00 0.00 C ATOM 449 CD1 ILE A 28 -0.517 -0.875 18.706 1.00 0.00 C ATOM 0 H ILE A 28 -0.537 -0.314 14.696 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.024 2.465 15.404 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.651 1.552 17.785 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.009 -1.198 16.636 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.587 -0.521 16.893 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.920 0.530 17.868 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.888 1.999 16.863 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.910 0.394 16.093 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.111 -1.879 18.830 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.066 -0.172 19.301 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.555 -0.860 19.040 1.00 0.00 H new ATOM 461 N GLY A 29 1.947 1.338 15.201 1.00 0.00 N ATOM 462 CA GLY A 29 3.368 1.684 15.245 1.00 0.00 C ATOM 463 C GLY A 29 4.113 1.064 14.074 1.00 0.00 C ATOM 464 O GLY A 29 3.520 0.327 13.287 1.00 0.00 O ATOM 0 H GLY A 29 1.751 0.525 14.616 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.484 2.768 15.222 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.802 1.337 16.183 1.00 0.00 H new ATOM 468 N ASP A 30 5.412 1.340 13.971 1.00 0.00 N ATOM 469 CA ASP A 30 6.251 0.805 12.895 1.00 0.00 C ATOM 470 C ASP A 30 6.432 -0.720 13.062 1.00 0.00 C ATOM 471 O ASP A 30 7.332 -1.193 13.762 1.00 0.00 O ATOM 472 CB ASP A 30 7.598 1.544 12.850 1.00 0.00 C ATOM 473 CG ASP A 30 7.447 3.007 12.414 1.00 0.00 C ATOM 474 OD1 ASP A 30 7.259 3.250 11.197 1.00 0.00 O ATOM 475 OD2 ASP A 30 7.530 3.909 13.283 1.00 0.00 O ATOM 0 H ASP A 30 5.913 1.938 14.628 1.00 0.00 H new ATOM 0 HA ASP A 30 5.756 0.971 11.938 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.063 1.507 13.835 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.269 1.030 12.162 1.00 0.00 H new ATOM 480 N GLY A 31 5.535 -1.478 12.425 1.00 0.00 N ATOM 481 CA GLY A 31 5.431 -2.939 12.476 1.00 0.00 C ATOM 482 C GLY A 31 4.387 -3.481 13.455 1.00 0.00 C ATOM 483 O GLY A 31 4.246 -4.696 13.545 1.00 0.00 O ATOM 0 H GLY A 31 4.821 -1.065 11.825 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.195 -3.306 11.477 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.405 -3.348 12.744 1.00 0.00 H new ATOM 487 N TYR A 32 3.644 -2.635 14.172 1.00 0.00 N ATOM 488 CA TYR A 32 2.698 -3.034 15.233 1.00 0.00 C ATOM 489 C TYR A 32 1.230 -2.782 14.842 1.00 0.00 C ATOM 490 O TYR A 32 0.910 -1.730 14.285 1.00 0.00 O ATOM 491 CB TYR A 32 3.045 -2.282 16.527 1.00 0.00 C ATOM 492 CG TYR A 32 4.356 -2.714 17.161 1.00 0.00 C ATOM 493 CD1 TYR A 32 5.573 -2.124 16.760 1.00 0.00 C ATOM 494 CD2 TYR A 32 4.362 -3.717 18.151 1.00 0.00 C ATOM 495 CE1 TYR A 32 6.789 -2.539 17.335 1.00 0.00 C ATOM 496 CE2 TYR A 32 5.573 -4.135 18.734 1.00 0.00 C ATOM 497 CZ TYR A 32 6.794 -3.548 18.326 1.00 0.00 C ATOM 498 OH TYR A 32 7.972 -3.943 18.884 1.00 0.00 O ATOM 0 H TYR A 32 3.680 -1.625 14.032 1.00 0.00 H new ATOM 0 HA TYR A 32 2.799 -4.109 15.385 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.091 -1.214 16.313 1.00 0.00 H new ATOM 0 HB3 TYR A 32 2.240 -2.428 17.247 1.00 0.00 H new ATOM 0 HD1 TYR A 32 5.572 -1.349 16.007 1.00 0.00 H new ATOM 0 HD2 TYR A 32 3.432 -4.168 18.464 1.00 0.00 H new ATOM 0 HE1 TYR A 32 7.718 -2.087 17.020 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.570 -4.904 19.493 1.00 0.00 H new ATOM 0 HH TYR A 32 7.801 -4.643 19.548 1.00 0.00 H new ATOM 508 N VAL A 33 0.324 -3.715 15.166 1.00 0.00 N ATOM 509 CA VAL A 33 -1.099 -3.659 14.771 1.00 0.00 C ATOM 510 C VAL A 33 -2.065 -4.033 15.899 1.00 0.00 C ATOM 511 O VAL A 33 -1.748 -4.818 16.790 1.00 0.00 O ATOM 512 CB VAL A 33 -1.424 -4.563 13.551 1.00 0.00 C ATOM 513 CG1 VAL A 33 -0.857 -4.005 12.244 1.00 0.00 C ATOM 514 CG2 VAL A 33 -0.943 -6.012 13.709 1.00 0.00 C ATOM 0 H VAL A 33 0.557 -4.542 15.716 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.248 -2.612 14.507 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.513 -4.566 13.509 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.112 -4.674 11.422 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.282 -3.019 12.055 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.227 -3.924 12.323 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.206 -6.582 12.818 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.139 -6.024 13.841 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.420 -6.461 14.580 1.00 0.00 H new ATOM 524 N ILE A 34 -3.271 -3.471 15.808 1.00 0.00 N ATOM 525 CA ILE A 34 -4.468 -3.809 16.594 1.00 0.00 C ATOM 526 C ILE A 34 -5.429 -4.521 15.646 1.00 0.00 C ATOM 527 O ILE A 34 -5.568 -4.097 14.505 1.00 0.00 O ATOM 528 CB ILE A 34 -5.110 -2.518 17.155 1.00 0.00 C ATOM 529 CG1 ILE A 34 -4.183 -1.839 18.182 1.00 0.00 C ATOM 530 CG2 ILE A 34 -6.520 -2.746 17.737 1.00 0.00 C ATOM 531 CD1 ILE A 34 -4.046 -2.579 19.512 1.00 0.00 C ATOM 0 H ILE A 34 -3.454 -2.720 15.143 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.221 -4.448 17.442 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.237 -1.844 16.308 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.193 -1.730 17.740 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.557 -0.834 18.379 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.915 -1.803 18.114 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.178 -3.129 16.957 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.465 -3.468 18.552 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.375 -2.026 20.169 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.025 -2.665 19.983 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.640 -3.575 19.334 1.00 0.00 H new ATOM 543 N HIS A 35 -6.086 -5.592 16.073 1.00 0.00 N ATOM 544 CA HIS A 35 -6.856 -6.454 15.171 1.00 0.00 C ATOM 545 C HIS A 35 -7.972 -7.203 15.915 1.00 0.00 C ATOM 546 O HIS A 35 -7.775 -7.659 17.042 1.00 0.00 O ATOM 547 CB HIS A 35 -5.886 -7.427 14.464 1.00 0.00 C ATOM 548 CG HIS A 35 -4.966 -8.181 15.399 1.00 0.00 C ATOM 549 ND1 HIS A 35 -5.114 -9.479 15.838 1.00 0.00 N ATOM 550 CD2 HIS A 35 -3.835 -7.688 15.995 1.00 0.00 C ATOM 551 CE1 HIS A 35 -4.096 -9.752 16.674 1.00 0.00 C ATOM 552 NE2 HIS A 35 -3.294 -8.681 16.816 1.00 0.00 N ATOM 0 H HIS A 35 -6.103 -5.891 17.048 1.00 0.00 H new ATOM 0 HA HIS A 35 -7.353 -5.837 14.423 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.468 -8.146 13.888 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -5.280 -6.865 13.753 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -5.863 -10.120 15.575 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.429 -6.697 15.854 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -3.943 -10.702 17.165 1.00 0.00 H new ATOM 560 N LEU A 36 -9.142 -7.346 15.284 1.00 0.00 N ATOM 561 CA LEU A 36 -10.269 -8.097 15.839 1.00 0.00 C ATOM 562 C LEU A 36 -10.157 -9.571 15.451 1.00 0.00 C ATOM 563 O LEU A 36 -10.148 -9.897 14.264 1.00 0.00 O ATOM 564 CB LEU A 36 -11.584 -7.480 15.317 1.00 0.00 C ATOM 565 CG LEU A 36 -12.879 -8.137 15.841 1.00 0.00 C ATOM 566 CD1 LEU A 36 -13.082 -7.825 17.328 1.00 0.00 C ATOM 567 CD2 LEU A 36 -14.086 -7.614 15.049 1.00 0.00 C ATOM 0 H LEU A 36 -9.333 -6.941 14.368 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.259 -8.039 16.927 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.600 -6.423 15.583 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.584 -7.535 14.228 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.790 -9.216 15.713 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -14.000 -8.298 17.677 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.237 -8.209 17.899 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -13.154 -6.746 17.467 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -14.997 -8.081 15.423 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -14.158 -6.533 15.167 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.961 -7.856 13.994 1.00 0.00 H new ATOM 579 N ALA A 37 -10.103 -10.467 16.432 1.00 0.00 N ATOM 580 CA ALA A 37 -10.228 -11.906 16.225 1.00 0.00 C ATOM 581 C ALA A 37 -11.742 -12.206 16.110 1.00 0.00 C ATOM 582 O ALA A 37 -12.458 -11.973 17.091 1.00 0.00 O ATOM 583 CB ALA A 37 -9.557 -12.629 17.403 1.00 0.00 C ATOM 0 H ALA A 37 -9.969 -10.209 17.410 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.733 -12.255 15.319 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.641 -13.707 17.264 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.504 -12.350 17.449 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.049 -12.343 18.333 1.00 0.00 H new ATOM 589 N PRO A 38 -12.251 -12.647 14.938 1.00 0.00 N ATOM 590 CA PRO A 38 -13.688 -12.745 14.679 1.00 0.00 C ATOM 591 C PRO A 38 -14.333 -13.977 15.350 1.00 0.00 C ATOM 592 O PRO A 38 -13.611 -14.858 15.830 1.00 0.00 O ATOM 593 CB PRO A 38 -13.809 -12.791 13.149 1.00 0.00 C ATOM 594 CG PRO A 38 -12.527 -13.497 12.721 1.00 0.00 C ATOM 595 CD PRO A 38 -11.504 -12.976 13.729 1.00 0.00 C ATOM 0 HA PRO A 38 -14.227 -11.900 15.107 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.696 -13.339 12.831 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.881 -11.791 12.720 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.627 -14.581 12.769 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.250 -13.247 11.697 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -10.743 -13.729 13.935 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.987 -12.098 13.340 1.00 0.00 H new ATOM 603 N PRO A 39 -15.681 -14.063 15.369 1.00 0.00 N ATOM 604 CA PRO A 39 -16.428 -15.229 15.843 1.00 0.00 C ATOM 605 C PRO A 39 -16.055 -16.534 15.124 1.00 0.00 C ATOM 606 O PRO A 39 -15.661 -16.531 13.957 1.00 0.00 O ATOM 607 CB PRO A 39 -17.909 -14.900 15.616 1.00 0.00 C ATOM 608 CG PRO A 39 -17.940 -13.375 15.637 1.00 0.00 C ATOM 609 CD PRO A 39 -16.618 -13.025 14.957 1.00 0.00 C ATOM 0 HA PRO A 39 -16.191 -15.409 16.892 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -18.267 -15.296 14.666 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -18.539 -15.325 16.397 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -18.797 -12.976 15.094 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -17.994 -12.981 16.652 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -16.728 -13.004 13.873 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.269 -12.038 15.262 1.00 0.00 H new ATOM 617 N SER A 40 -16.245 -17.665 15.810 1.00 0.00 N ATOM 618 CA SER A 40 -16.010 -19.021 15.284 1.00 0.00 C ATOM 619 C SER A 40 -16.771 -20.066 16.121 1.00 0.00 C ATOM 620 O SER A 40 -17.081 -19.819 17.289 1.00 0.00 O ATOM 621 CB SER A 40 -14.503 -19.326 15.257 1.00 0.00 C ATOM 622 OG SER A 40 -14.235 -20.531 14.554 1.00 0.00 O ATOM 0 H SER A 40 -16.576 -17.667 16.775 1.00 0.00 H new ATOM 0 HA SER A 40 -16.387 -19.071 14.263 1.00 0.00 H new ATOM 0 HB2 SER A 40 -13.971 -18.500 14.785 1.00 0.00 H new ATOM 0 HB3 SER A 40 -14.127 -19.406 16.277 1.00 0.00 H new ATOM 0 HG SER A 40 -13.270 -20.700 14.551 1.00 0.00 H new ATOM 628 N GLU A 41 -17.106 -21.223 15.543 1.00 0.00 N ATOM 629 CA GLU A 41 -17.951 -22.249 16.171 1.00 0.00 C ATOM 630 C GLU A 41 -17.140 -23.455 16.664 1.00 0.00 C ATOM 631 O GLU A 41 -16.199 -23.907 16.003 1.00 0.00 O ATOM 632 CB GLU A 41 -19.025 -22.733 15.182 1.00 0.00 C ATOM 633 CG GLU A 41 -20.039 -21.637 14.829 1.00 0.00 C ATOM 634 CD GLU A 41 -21.066 -22.135 13.800 1.00 0.00 C ATOM 635 OE1 GLU A 41 -20.695 -22.336 12.617 1.00 0.00 O ATOM 636 OE2 GLU A 41 -22.255 -22.305 14.157 1.00 0.00 O ATOM 0 H GLU A 41 -16.792 -21.480 14.607 1.00 0.00 H new ATOM 0 HA GLU A 41 -18.420 -21.783 17.038 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -18.542 -23.083 14.270 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -19.552 -23.585 15.612 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -20.555 -21.312 15.732 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.515 -20.768 14.431 1.00 0.00 H new ATOM 643 N TYR A 42 -17.542 -24.017 17.807 1.00 0.00 N ATOM 644 CA TYR A 42 -17.020 -25.298 18.301 1.00 0.00 C ATOM 645 C TYR A 42 -17.369 -26.481 17.353 1.00 0.00 C ATOM 646 O TYR A 42 -18.376 -26.417 16.635 1.00 0.00 O ATOM 647 CB TYR A 42 -17.559 -25.559 19.719 1.00 0.00 C ATOM 648 CG TYR A 42 -16.959 -24.683 20.804 1.00 0.00 C ATOM 649 CD1 TYR A 42 -15.608 -24.852 21.174 1.00 0.00 C ATOM 650 CD2 TYR A 42 -17.751 -23.733 21.477 1.00 0.00 C ATOM 651 CE1 TYR A 42 -15.055 -24.083 22.217 1.00 0.00 C ATOM 652 CE2 TYR A 42 -17.207 -22.963 22.523 1.00 0.00 C ATOM 653 CZ TYR A 42 -15.857 -23.142 22.902 1.00 0.00 C ATOM 654 OH TYR A 42 -15.336 -22.418 23.930 1.00 0.00 O ATOM 0 H TYR A 42 -18.241 -23.596 18.419 1.00 0.00 H new ATOM 0 HA TYR A 42 -15.932 -25.230 18.330 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -18.639 -25.415 19.713 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -17.378 -26.603 19.974 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -14.995 -25.574 20.655 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -18.783 -23.594 21.189 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -14.019 -24.212 22.493 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -17.821 -22.237 23.035 1.00 0.00 H new ATOM 0 HH TYR A 42 -16.023 -21.818 24.288 1.00 0.00 H new ATOM 664 N PRO A 43 -16.566 -27.567 17.346 1.00 0.00 N ATOM 665 CA PRO A 43 -16.813 -28.745 16.514 1.00 0.00 C ATOM 666 C PRO A 43 -17.984 -29.594 17.040 1.00 0.00 C ATOM 667 O PRO A 43 -18.427 -29.431 18.179 1.00 0.00 O ATOM 668 CB PRO A 43 -15.495 -29.527 16.522 1.00 0.00 C ATOM 669 CG PRO A 43 -14.901 -29.192 17.888 1.00 0.00 C ATOM 670 CD PRO A 43 -15.331 -27.741 18.106 1.00 0.00 C ATOM 0 HA PRO A 43 -17.109 -28.462 15.504 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -15.661 -30.598 16.407 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -14.838 -29.217 15.710 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -15.287 -29.849 18.668 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -13.816 -29.296 17.892 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -15.493 -27.537 19.164 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -14.561 -27.050 17.762 1.00 0.00 H new ATOM 678 N GLY A 44 -18.467 -30.518 16.200 1.00 0.00 N ATOM 679 CA GLY A 44 -19.506 -31.501 16.550 1.00 0.00 C ATOM 680 C GLY A 44 -20.948 -31.006 16.412 1.00 0.00 C ATOM 681 O GLY A 44 -21.870 -31.683 16.863 1.00 0.00 O ATOM 0 H GLY A 44 -18.141 -30.607 15.238 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -19.379 -32.380 15.918 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -19.347 -31.823 17.579 1.00 0.00 H new ATOM 685 N ALA A 45 -21.139 -29.840 15.791 1.00 0.00 N ATOM 686 CA ALA A 45 -22.434 -29.179 15.605 1.00 0.00 C ATOM 687 C ALA A 45 -23.481 -30.068 14.898 1.00 0.00 C ATOM 688 O ALA A 45 -23.159 -30.828 13.977 1.00 0.00 O ATOM 689 CB ALA A 45 -22.217 -27.880 14.820 1.00 0.00 C ATOM 0 H ALA A 45 -20.367 -29.309 15.388 1.00 0.00 H new ATOM 0 HA ALA A 45 -22.841 -28.969 16.594 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -23.174 -27.378 14.675 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -21.545 -27.226 15.377 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -21.777 -28.110 13.850 1.00 0.00 H new ATOM 695 N GLY A 46 -24.748 -29.941 15.313 1.00 0.00 N ATOM 696 CA GLY A 46 -25.889 -30.653 14.715 1.00 0.00 C ATOM 697 C GLY A 46 -25.949 -32.149 15.049 1.00 0.00 C ATOM 698 O GLY A 46 -26.564 -32.909 14.305 1.00 0.00 O ATOM 0 H GLY A 46 -25.015 -29.331 16.086 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -26.812 -30.181 15.051 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -25.847 -30.536 13.632 1.00 0.00 H new ATOM 702 N SER A 47 -25.305 -32.587 16.131 1.00 0.00 N ATOM 703 CA SER A 47 -25.196 -34.001 16.522 1.00 0.00 C ATOM 704 C SER A 47 -25.329 -34.190 18.045 1.00 0.00 C ATOM 705 O SER A 47 -25.311 -33.226 18.807 1.00 0.00 O ATOM 706 CB SER A 47 -23.858 -34.562 16.006 1.00 0.00 C ATOM 707 OG SER A 47 -23.831 -35.984 16.071 1.00 0.00 O ATOM 0 H SER A 47 -24.832 -31.957 16.778 1.00 0.00 H new ATOM 0 HA SER A 47 -26.021 -34.553 16.071 1.00 0.00 H new ATOM 0 HB2 SER A 47 -23.700 -34.240 14.977 1.00 0.00 H new ATOM 0 HB3 SER A 47 -23.038 -34.154 16.597 1.00 0.00 H new ATOM 0 HG SER A 47 -22.970 -36.311 15.735 1.00 0.00 H new ATOM 713 N SER A 48 -25.448 -35.432 18.522 1.00 0.00 N ATOM 714 CA SER A 48 -25.758 -35.765 19.927 1.00 0.00 C ATOM 715 C SER A 48 -24.733 -35.229 20.950 1.00 0.00 C ATOM 716 O SER A 48 -25.042 -35.101 22.137 1.00 0.00 O ATOM 717 CB SER A 48 -25.874 -37.292 20.072 1.00 0.00 C ATOM 718 OG SER A 48 -26.833 -37.836 19.169 1.00 0.00 O ATOM 0 H SER A 48 -25.330 -36.257 17.934 1.00 0.00 H new ATOM 0 HA SER A 48 -26.701 -35.269 20.157 1.00 0.00 H new ATOM 0 HB2 SER A 48 -24.902 -37.750 19.889 1.00 0.00 H new ATOM 0 HB3 SER A 48 -26.156 -37.540 21.095 1.00 0.00 H new ATOM 0 HG SER A 48 -26.879 -38.808 19.287 1.00 0.00 H new ATOM 724 N SER A 49 -23.521 -34.881 20.508 1.00 0.00 N ATOM 725 CA SER A 49 -22.488 -34.222 21.317 1.00 0.00 C ATOM 726 C SER A 49 -22.740 -32.711 21.527 1.00 0.00 C ATOM 727 O SER A 49 -22.234 -32.156 22.506 1.00 0.00 O ATOM 728 CB SER A 49 -21.118 -34.442 20.652 1.00 0.00 C ATOM 729 OG SER A 49 -21.138 -34.064 19.280 1.00 0.00 O ATOM 0 H SER A 49 -23.221 -35.055 19.549 1.00 0.00 H new ATOM 0 HA SER A 49 -22.516 -34.673 22.309 1.00 0.00 H new ATOM 0 HB2 SER A 49 -20.359 -33.863 21.179 1.00 0.00 H new ATOM 0 HB3 SER A 49 -20.835 -35.491 20.737 1.00 0.00 H new ATOM 0 HG SER A 49 -20.253 -34.214 18.886 1.00 0.00 H new ATOM 735 N VAL A 50 -23.536 -32.061 20.664 1.00 0.00 N ATOM 736 CA VAL A 50 -23.950 -30.641 20.690 1.00 0.00 C ATOM 737 C VAL A 50 -24.779 -30.296 19.441 1.00 0.00 C ATOM 738 O VAL A 50 -24.321 -30.444 18.309 1.00 0.00 O ATOM 739 CB VAL A 50 -22.788 -29.624 20.897 1.00 0.00 C ATOM 740 CG1 VAL A 50 -21.650 -29.727 19.864 1.00 0.00 C ATOM 741 CG2 VAL A 50 -23.320 -28.181 20.947 1.00 0.00 C ATOM 0 H VAL A 50 -23.941 -32.549 19.865 1.00 0.00 H new ATOM 0 HA VAL A 50 -24.571 -30.535 21.579 1.00 0.00 H new ATOM 0 HB VAL A 50 -22.349 -29.896 21.857 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -20.887 -28.981 20.088 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -21.208 -30.722 19.907 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -22.048 -29.550 18.865 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -22.488 -27.491 21.092 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -23.826 -27.947 20.010 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -24.023 -28.081 21.774 1.00 0.00 H new ATOM 751 N PHE A 51 -26.008 -29.816 19.662 1.00 0.00 N ATOM 752 CA PHE A 51 -26.978 -29.479 18.609 1.00 0.00 C ATOM 753 C PHE A 51 -27.650 -28.102 18.798 1.00 0.00 C ATOM 754 O PHE A 51 -28.469 -27.700 17.971 1.00 0.00 O ATOM 755 CB PHE A 51 -28.004 -30.622 18.516 1.00 0.00 C ATOM 756 CG PHE A 51 -28.756 -30.913 19.805 1.00 0.00 C ATOM 757 CD1 PHE A 51 -29.923 -30.191 20.125 1.00 0.00 C ATOM 758 CD2 PHE A 51 -28.282 -31.902 20.689 1.00 0.00 C ATOM 759 CE1 PHE A 51 -30.608 -30.452 21.326 1.00 0.00 C ATOM 760 CE2 PHE A 51 -28.969 -32.163 21.888 1.00 0.00 C ATOM 761 CZ PHE A 51 -30.130 -31.435 22.208 1.00 0.00 C ATOM 0 H PHE A 51 -26.367 -29.646 20.602 1.00 0.00 H new ATOM 0 HA PHE A 51 -26.441 -29.382 17.665 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -28.727 -30.379 17.737 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -27.488 -31.529 18.201 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -30.292 -29.436 19.447 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -27.390 -32.460 20.446 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -31.501 -29.896 21.570 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -28.605 -32.923 22.564 1.00 0.00 H new ATOM 0 HZ PHE A 51 -30.653 -31.632 23.132 1.00 0.00 H new ATOM 771 N SER A 52 -27.307 -27.363 19.858 1.00 0.00 N ATOM 772 CA SER A 52 -27.713 -25.960 20.059 1.00 0.00 C ATOM 773 C SER A 52 -26.642 -24.971 19.527 1.00 0.00 C ATOM 774 O SER A 52 -25.700 -25.369 18.835 1.00 0.00 O ATOM 775 CB SER A 52 -28.023 -25.744 21.553 1.00 0.00 C ATOM 776 OG SER A 52 -28.649 -24.486 21.779 1.00 0.00 O ATOM 0 H SER A 52 -26.729 -27.726 20.616 1.00 0.00 H new ATOM 0 HA SER A 52 -28.614 -25.755 19.481 1.00 0.00 H new ATOM 0 HB2 SER A 52 -28.672 -26.544 21.910 1.00 0.00 H new ATOM 0 HB3 SER A 52 -27.100 -25.801 22.129 1.00 0.00 H new ATOM 0 HG SER A 52 -28.834 -24.380 22.735 1.00 0.00 H new ATOM 782 N VAL A 53 -26.772 -23.677 19.846 1.00 0.00 N ATOM 783 CA VAL A 53 -25.807 -22.619 19.479 1.00 0.00 C ATOM 784 C VAL A 53 -24.455 -22.824 20.185 1.00 0.00 C ATOM 785 O VAL A 53 -24.414 -23.179 21.365 1.00 0.00 O ATOM 786 CB VAL A 53 -26.388 -21.203 19.721 1.00 0.00 C ATOM 787 CG1 VAL A 53 -26.636 -20.869 21.204 1.00 0.00 C ATOM 788 CG2 VAL A 53 -25.503 -20.114 19.086 1.00 0.00 C ATOM 0 H VAL A 53 -27.567 -23.323 20.378 1.00 0.00 H new ATOM 0 HA VAL A 53 -25.622 -22.700 18.408 1.00 0.00 H new ATOM 0 HB VAL A 53 -27.363 -21.215 19.233 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -27.043 -19.861 21.287 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -27.345 -21.582 21.624 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -25.696 -20.927 21.752 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -25.940 -19.134 19.275 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -24.505 -20.156 19.522 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -25.437 -20.280 18.011 1.00 0.00 H new ATOM 798 N LEU A 54 -23.354 -22.601 19.455 1.00 0.00 N ATOM 799 CA LEU A 54 -21.979 -22.892 19.901 1.00 0.00 C ATOM 800 C LEU A 54 -20.921 -21.944 19.300 1.00 0.00 C ATOM 801 O LEU A 54 -19.759 -22.311 19.135 1.00 0.00 O ATOM 802 CB LEU A 54 -21.687 -24.404 19.717 1.00 0.00 C ATOM 803 CG LEU A 54 -21.320 -24.927 18.307 1.00 0.00 C ATOM 804 CD1 LEU A 54 -21.257 -26.461 18.366 1.00 0.00 C ATOM 805 CD2 LEU A 54 -22.288 -24.504 17.194 1.00 0.00 C ATOM 0 H LEU A 54 -23.392 -22.204 18.516 1.00 0.00 H new ATOM 0 HA LEU A 54 -21.902 -22.678 20.967 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -20.870 -24.666 20.389 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -22.566 -24.953 20.054 1.00 0.00 H new ATOM 0 HG LEU A 54 -20.360 -24.480 18.047 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -21.000 -26.853 17.382 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -20.499 -26.767 19.088 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -22.227 -26.854 18.670 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -21.951 -24.916 16.243 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -23.287 -24.879 17.419 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -22.315 -23.416 17.129 1.00 0.00 H new ATOM 817 N SER A 55 -21.322 -20.719 18.948 1.00 0.00 N ATOM 818 CA SER A 55 -20.416 -19.680 18.438 1.00 0.00 C ATOM 819 C SER A 55 -19.757 -18.865 19.569 1.00 0.00 C ATOM 820 O SER A 55 -20.405 -18.422 20.522 1.00 0.00 O ATOM 821 CB SER A 55 -21.161 -18.763 17.451 1.00 0.00 C ATOM 822 OG SER A 55 -22.299 -18.143 18.039 1.00 0.00 O ATOM 0 H SER A 55 -22.294 -20.416 19.009 1.00 0.00 H new ATOM 0 HA SER A 55 -19.606 -20.182 17.909 1.00 0.00 H new ATOM 0 HB2 SER A 55 -20.479 -17.994 17.088 1.00 0.00 H new ATOM 0 HB3 SER A 55 -21.475 -19.345 16.585 1.00 0.00 H new ATOM 0 HG SER A 55 -22.738 -17.570 17.376 1.00 0.00 H new ATOM 828 N ASN A 56 -18.451 -18.621 19.441 1.00 0.00 N ATOM 829 CA ASN A 56 -17.646 -17.812 20.356 1.00 0.00 C ATOM 830 C ASN A 56 -17.807 -16.304 20.073 1.00 0.00 C ATOM 831 O ASN A 56 -18.073 -15.897 18.942 1.00 0.00 O ATOM 832 CB ASN A 56 -16.171 -18.237 20.234 1.00 0.00 C ATOM 833 CG ASN A 56 -15.931 -19.653 20.756 1.00 0.00 C ATOM 834 OD1 ASN A 56 -15.608 -19.841 21.921 1.00 0.00 O ATOM 835 ND2 ASN A 56 -16.088 -20.675 19.930 1.00 0.00 N ATOM 0 H ASN A 56 -17.905 -18.997 18.666 1.00 0.00 H new ATOM 0 HA ASN A 56 -17.994 -17.982 21.375 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -15.864 -18.180 19.190 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -15.546 -17.537 20.789 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -15.940 -21.628 20.263 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -16.357 -20.510 18.960 1.00 0.00 H new ATOM 842 N SER A 57 -17.630 -15.458 21.089 1.00 0.00 N ATOM 843 CA SER A 57 -17.549 -13.995 20.923 1.00 0.00 C ATOM 844 C SER A 57 -16.230 -13.567 20.236 1.00 0.00 C ATOM 845 O SER A 57 -15.213 -14.265 20.316 1.00 0.00 O ATOM 846 CB SER A 57 -17.681 -13.309 22.292 1.00 0.00 C ATOM 847 OG SER A 57 -18.901 -13.686 22.917 1.00 0.00 O ATOM 0 H SER A 57 -17.538 -15.764 22.058 1.00 0.00 H new ATOM 0 HA SER A 57 -18.370 -13.684 20.277 1.00 0.00 H new ATOM 0 HB2 SER A 57 -16.839 -13.584 22.927 1.00 0.00 H new ATOM 0 HB3 SER A 57 -17.647 -12.227 22.169 1.00 0.00 H new ATOM 0 HG SER A 57 -18.972 -13.244 23.789 1.00 0.00 H new ATOM 853 N ALA A 58 -16.237 -12.401 19.579 1.00 0.00 N ATOM 854 CA ALA A 58 -15.045 -11.760 19.020 1.00 0.00 C ATOM 855 C ALA A 58 -14.202 -11.087 20.122 1.00 0.00 C ATOM 856 O ALA A 58 -14.737 -10.737 21.176 1.00 0.00 O ATOM 857 CB ALA A 58 -15.507 -10.744 17.965 1.00 0.00 C ATOM 0 H ALA A 58 -17.091 -11.867 19.419 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.402 -12.508 18.556 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -14.638 -10.250 17.531 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -16.061 -11.260 17.181 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -16.151 -10.000 18.434 1.00 0.00 H new ATOM 863 N GLU A 59 -12.912 -10.844 19.868 1.00 0.00 N ATOM 864 CA GLU A 59 -11.980 -10.220 20.822 1.00 0.00 C ATOM 865 C GLU A 59 -10.993 -9.288 20.104 1.00 0.00 C ATOM 866 O GLU A 59 -10.401 -9.686 19.104 1.00 0.00 O ATOM 867 CB GLU A 59 -11.225 -11.321 21.593 1.00 0.00 C ATOM 868 CG GLU A 59 -10.377 -10.769 22.746 1.00 0.00 C ATOM 869 CD GLU A 59 -9.784 -11.912 23.588 1.00 0.00 C ATOM 870 OE1 GLU A 59 -10.448 -12.370 24.547 1.00 0.00 O ATOM 871 OE2 GLU A 59 -8.648 -12.356 23.294 1.00 0.00 O ATOM 0 H GLU A 59 -12.475 -11.079 18.977 1.00 0.00 H new ATOM 0 HA GLU A 59 -12.551 -9.613 21.525 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.944 -12.038 21.989 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.580 -11.864 20.902 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.573 -10.151 22.347 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.990 -10.126 23.378 1.00 0.00 H new ATOM 878 N VAL A 60 -10.795 -8.064 20.605 1.00 0.00 N ATOM 879 CA VAL A 60 -9.794 -7.109 20.086 1.00 0.00 C ATOM 880 C VAL A 60 -8.428 -7.389 20.716 1.00 0.00 C ATOM 881 O VAL A 60 -8.294 -7.421 21.940 1.00 0.00 O ATOM 882 CB VAL A 60 -10.197 -5.641 20.336 1.00 0.00 C ATOM 883 CG1 VAL A 60 -9.130 -4.660 19.816 1.00 0.00 C ATOM 884 CG2 VAL A 60 -11.528 -5.323 19.636 1.00 0.00 C ATOM 0 H VAL A 60 -11.330 -7.698 21.393 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.740 -7.252 19.007 1.00 0.00 H new ATOM 0 HB VAL A 60 -10.297 -5.519 21.415 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.451 -3.637 20.011 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.185 -4.847 20.325 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.998 -4.801 18.743 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.798 -4.284 19.822 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.422 -5.484 18.563 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -12.309 -5.976 20.025 1.00 0.00 H new ATOM 894 N LYS A 61 -7.413 -7.581 19.869 1.00 0.00 N ATOM 895 CA LYS A 61 -6.071 -8.064 20.230 1.00 0.00 C ATOM 896 C LYS A 61 -4.947 -7.209 19.586 1.00 0.00 C ATOM 897 O LYS A 61 -5.212 -6.317 18.773 1.00 0.00 O ATOM 898 CB LYS A 61 -5.982 -9.564 19.846 1.00 0.00 C ATOM 899 CG LYS A 61 -7.084 -10.408 20.517 1.00 0.00 C ATOM 900 CD LYS A 61 -6.988 -11.914 20.237 1.00 0.00 C ATOM 901 CE LYS A 61 -5.867 -12.657 20.984 1.00 0.00 C ATOM 902 NZ LYS A 61 -6.002 -12.565 22.465 1.00 0.00 N ATOM 0 H LYS A 61 -7.505 -7.397 18.870 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.917 -7.960 21.304 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.060 -9.664 18.763 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.005 -9.953 20.133 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.042 -10.248 21.594 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.056 -10.049 20.179 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.941 -12.375 20.496 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.845 -12.058 19.166 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.872 -13.706 20.688 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.903 -12.246 20.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.695 -13.460 22.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.409 -11.788 22.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.996 -12.384 22.712 1.00 0.00 H new ATOM 916 N ARG A 62 -3.693 -7.460 19.990 1.00 0.00 N ATOM 917 CA ARG A 62 -2.492 -6.683 19.619 1.00 0.00 C ATOM 918 C ARG A 62 -1.272 -7.595 19.401 1.00 0.00 C ATOM 919 O ARG A 62 -1.062 -8.512 20.194 1.00 0.00 O ATOM 920 CB ARG A 62 -2.196 -5.672 20.747 1.00 0.00 C ATOM 921 CG ARG A 62 -1.063 -4.685 20.410 1.00 0.00 C ATOM 922 CD ARG A 62 -0.840 -3.636 21.513 1.00 0.00 C ATOM 923 NE ARG A 62 -0.417 -4.250 22.792 1.00 0.00 N ATOM 924 CZ ARG A 62 0.813 -4.615 23.146 1.00 0.00 C ATOM 925 NH1 ARG A 62 1.853 -4.469 22.348 1.00 0.00 N ATOM 926 NH2 ARG A 62 1.014 -5.145 24.334 1.00 0.00 N ATOM 0 H ARG A 62 -3.475 -8.241 20.609 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.684 -6.165 18.680 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.103 -5.109 20.966 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.933 -6.218 21.653 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.139 -5.240 20.251 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.296 -4.178 19.474 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.083 -2.923 21.186 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.761 -3.074 21.669 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.152 -4.412 23.480 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.731 -4.063 21.420 1.00 0.00 H new ATOM 0 HH12 ARG A 62 2.779 -4.762 22.659 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.231 -5.273 24.975 1.00 0.00 H new ATOM 0 HH22 ARG A 62 1.953 -5.428 24.614 1.00 0.00 H new ATOM 940 N GLU A 63 -0.444 -7.269 18.398 1.00 0.00 N ATOM 941 CA GLU A 63 0.891 -7.814 18.072 1.00 0.00 C ATOM 942 C GLU A 63 1.392 -7.228 16.739 1.00 0.00 C ATOM 943 O GLU A 63 0.946 -6.150 16.337 1.00 0.00 O ATOM 944 CB GLU A 63 1.012 -9.355 18.194 1.00 0.00 C ATOM 945 CG GLU A 63 0.102 -10.187 17.283 1.00 0.00 C ATOM 946 CD GLU A 63 0.081 -11.659 17.739 1.00 0.00 C ATOM 947 OE1 GLU A 63 1.157 -12.227 18.053 1.00 0.00 O ATOM 948 OE2 GLU A 63 -1.021 -12.255 17.815 1.00 0.00 O ATOM 0 H GLU A 63 -0.714 -6.549 17.728 1.00 0.00 H new ATOM 0 HA GLU A 63 1.577 -7.478 18.850 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.046 -9.633 17.989 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.806 -9.633 19.228 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.909 -9.780 17.300 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.453 -10.124 16.253 1.00 0.00 H new ATOM 955 N ARG A 64 2.363 -7.870 16.083 1.00 0.00 N ATOM 956 CA ARG A 64 3.066 -7.307 14.921 1.00 0.00 C ATOM 957 C ARG A 64 2.486 -7.735 13.567 1.00 0.00 C ATOM 958 O ARG A 64 1.991 -8.853 13.396 1.00 0.00 O ATOM 959 CB ARG A 64 4.577 -7.583 15.026 1.00 0.00 C ATOM 960 CG ARG A 64 5.155 -6.942 16.304 1.00 0.00 C ATOM 961 CD ARG A 64 6.679 -6.759 16.269 1.00 0.00 C ATOM 962 NE ARG A 64 7.388 -8.021 15.978 1.00 0.00 N ATOM 963 CZ ARG A 64 7.984 -8.366 14.840 1.00 0.00 C ATOM 964 NH1 ARG A 64 8.033 -7.566 13.798 1.00 0.00 N ATOM 965 NH2 ARG A 64 8.542 -9.551 14.723 1.00 0.00 N ATOM 0 H ARG A 64 2.687 -8.801 16.343 1.00 0.00 H new ATOM 0 HA ARG A 64 2.906 -6.229 14.952 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.756 -8.658 15.038 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.087 -7.184 14.149 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.685 -5.971 16.457 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.892 -7.562 17.161 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.936 -6.017 15.513 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.018 -6.367 17.228 1.00 0.00 H new ATOM 0 HE ARG A 64 7.425 -8.705 16.734 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.604 -6.642 13.844 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.500 -7.869 12.944 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.518 -10.206 15.505 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.999 -9.816 13.850 1.00 0.00 H new ATOM 979 N LEU A 65 2.589 -6.837 12.579 1.00 0.00 N ATOM 980 CA LEU A 65 2.028 -6.985 11.227 1.00 0.00 C ATOM 981 C LEU A 65 2.486 -8.293 10.577 1.00 0.00 C ATOM 982 O LEU A 65 1.641 -9.084 10.176 1.00 0.00 O ATOM 983 CB LEU A 65 2.412 -5.739 10.391 1.00 0.00 C ATOM 984 CG LEU A 65 1.866 -5.733 8.943 1.00 0.00 C ATOM 985 CD1 LEU A 65 0.335 -5.615 8.901 1.00 0.00 C ATOM 986 CD2 LEU A 65 2.477 -4.560 8.161 1.00 0.00 C ATOM 0 H LEU A 65 3.084 -5.954 12.702 1.00 0.00 H new ATOM 0 HA LEU A 65 0.941 -7.044 11.280 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.049 -4.849 10.905 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.499 -5.665 10.354 1.00 0.00 H new ATOM 0 HG LEU A 65 2.146 -6.684 8.489 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.002 -5.615 7.864 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.110 -6.460 9.427 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.028 -4.686 9.382 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.089 -4.561 7.142 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.214 -3.621 8.649 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.562 -4.665 8.136 1.00 0.00 H new ATOM 998 N GLU A 66 3.794 -8.567 10.549 1.00 0.00 N ATOM 999 CA GLU A 66 4.331 -9.786 9.922 1.00 0.00 C ATOM 1000 C GLU A 66 3.829 -11.091 10.572 1.00 0.00 C ATOM 1001 O GLU A 66 3.748 -12.110 9.889 1.00 0.00 O ATOM 1002 CB GLU A 66 5.870 -9.744 9.867 1.00 0.00 C ATOM 1003 CG GLU A 66 6.570 -9.867 11.227 1.00 0.00 C ATOM 1004 CD GLU A 66 8.097 -9.853 11.063 1.00 0.00 C ATOM 1005 OE1 GLU A 66 8.672 -10.867 10.599 1.00 0.00 O ATOM 1006 OE2 GLU A 66 8.736 -8.840 11.431 1.00 0.00 O ATOM 0 H GLU A 66 4.506 -7.960 10.955 1.00 0.00 H new ATOM 0 HA GLU A 66 3.944 -9.797 8.903 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.218 -10.551 9.222 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.177 -8.808 9.400 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.263 -9.045 11.874 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.262 -10.791 11.717 1.00 0.00 H new ATOM 1013 N ASP A 67 3.429 -11.078 11.854 1.00 0.00 N ATOM 1014 CA ASP A 67 2.823 -12.247 12.505 1.00 0.00 C ATOM 1015 C ASP A 67 1.345 -12.382 12.100 1.00 0.00 C ATOM 1016 O ASP A 67 0.904 -13.468 11.719 1.00 0.00 O ATOM 1017 CB ASP A 67 2.975 -12.147 14.027 1.00 0.00 C ATOM 1018 CG ASP A 67 2.591 -13.475 14.697 1.00 0.00 C ATOM 1019 OD1 ASP A 67 1.385 -13.700 14.947 1.00 0.00 O ATOM 1020 OD2 ASP A 67 3.503 -14.299 14.950 1.00 0.00 O ATOM 0 H ASP A 67 3.516 -10.264 12.462 1.00 0.00 H new ATOM 0 HA ASP A 67 3.344 -13.145 12.172 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.004 -11.890 14.279 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.344 -11.345 14.409 1.00 0.00 H new ATOM 1025 N VAL A 68 0.607 -11.263 12.105 1.00 0.00 N ATOM 1026 CA VAL A 68 -0.788 -11.189 11.632 1.00 0.00 C ATOM 1027 C VAL A 68 -0.915 -11.554 10.144 1.00 0.00 C ATOM 1028 O VAL A 68 -1.898 -12.186 9.758 1.00 0.00 O ATOM 1029 CB VAL A 68 -1.411 -9.806 11.948 1.00 0.00 C ATOM 1030 CG1 VAL A 68 -2.835 -9.631 11.391 1.00 0.00 C ATOM 1031 CG2 VAL A 68 -1.455 -9.602 13.472 1.00 0.00 C ATOM 0 H VAL A 68 0.965 -10.369 12.442 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.359 -11.938 12.181 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.778 -9.065 11.461 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.208 -8.640 11.650 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.817 -9.740 10.307 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.490 -10.389 11.821 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.893 -8.629 13.696 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.060 -10.386 13.927 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.443 -9.646 13.874 1.00 0.00 H new ATOM 1041 N VAL A 69 0.080 -11.201 9.330 1.00 0.00 N ATOM 1042 CA VAL A 69 0.136 -11.437 7.879 1.00 0.00 C ATOM 1043 C VAL A 69 0.765 -12.797 7.517 1.00 0.00 C ATOM 1044 O VAL A 69 0.544 -13.293 6.414 1.00 0.00 O ATOM 1045 CB VAL A 69 0.886 -10.254 7.218 1.00 0.00 C ATOM 1046 CG1 VAL A 69 1.247 -10.458 5.740 1.00 0.00 C ATOM 1047 CG2 VAL A 69 0.023 -8.982 7.348 1.00 0.00 C ATOM 0 H VAL A 69 0.910 -10.720 9.676 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.882 -11.487 7.492 1.00 0.00 H new ATOM 0 HB VAL A 69 1.835 -10.169 7.748 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.769 -9.576 5.368 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.892 -11.331 5.640 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.336 -10.612 5.161 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.541 -8.142 6.886 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.933 -9.138 6.848 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.150 -8.766 8.402 1.00 0.00 H new ATOM 1057 N GLY A 70 1.500 -13.442 8.433 1.00 0.00 N ATOM 1058 CA GLY A 70 2.117 -14.759 8.212 1.00 0.00 C ATOM 1059 C GLY A 70 1.075 -15.847 7.927 1.00 0.00 C ATOM 1060 O GLY A 70 0.209 -16.123 8.760 1.00 0.00 O ATOM 0 H GLY A 70 1.686 -13.060 9.360 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.813 -14.696 7.375 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.699 -15.037 9.090 1.00 0.00 H new ATOM 1064 N GLY A 71 1.157 -16.453 6.735 1.00 0.00 N ATOM 1065 CA GLY A 71 0.186 -17.441 6.227 1.00 0.00 C ATOM 1066 C GLY A 71 -1.080 -16.832 5.602 1.00 0.00 C ATOM 1067 O GLY A 71 -1.990 -17.574 5.229 1.00 0.00 O ATOM 0 H GLY A 71 1.916 -16.268 6.079 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.679 -18.065 5.482 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.109 -18.096 7.047 1.00 0.00 H new ATOM 1071 N CYS A 72 -1.140 -15.501 5.487 1.00 0.00 N ATOM 1072 CA CYS A 72 -2.294 -14.704 5.045 1.00 0.00 C ATOM 1073 C CYS A 72 -1.920 -13.714 3.919 1.00 0.00 C ATOM 1074 O CYS A 72 -0.751 -13.576 3.541 1.00 0.00 O ATOM 1075 CB CYS A 72 -2.828 -13.945 6.280 1.00 0.00 C ATOM 1076 SG CYS A 72 -3.507 -15.124 7.481 1.00 0.00 S ATOM 0 H CYS A 72 -0.337 -14.914 5.713 1.00 0.00 H new ATOM 0 HA CYS A 72 -3.056 -15.364 4.630 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -2.025 -13.367 6.738 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -3.599 -13.236 5.977 1.00 0.00 H new ATOM 0 HG CYS A 72 -4.577 -15.676 6.990 1.00 0.00 H new ATOM 1082 N CYS A 73 -2.927 -12.997 3.412 1.00 0.00 N ATOM 1083 CA CYS A 73 -2.783 -11.853 2.498 1.00 0.00 C ATOM 1084 C CYS A 73 -3.418 -10.599 3.133 1.00 0.00 C ATOM 1085 O CYS A 73 -4.145 -10.701 4.122 1.00 0.00 O ATOM 1086 CB CYS A 73 -3.403 -12.203 1.128 1.00 0.00 C ATOM 1087 SG CYS A 73 -2.596 -13.663 0.401 1.00 0.00 S ATOM 0 H CYS A 73 -3.901 -13.202 3.633 1.00 0.00 H new ATOM 0 HA CYS A 73 -1.729 -11.632 2.330 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.470 -12.393 1.246 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.303 -11.354 0.452 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.141 -13.933 -0.748 1.00 0.00 H new ATOM 1093 N TYR A 74 -3.175 -9.414 2.570 1.00 0.00 N ATOM 1094 CA TYR A 74 -3.701 -8.145 3.104 1.00 0.00 C ATOM 1095 C TYR A 74 -3.814 -7.023 2.057 1.00 0.00 C ATOM 1096 O TYR A 74 -3.217 -7.104 0.982 1.00 0.00 O ATOM 1097 CB TYR A 74 -2.863 -7.692 4.316 1.00 0.00 C ATOM 1098 CG TYR A 74 -1.458 -7.191 4.012 1.00 0.00 C ATOM 1099 CD1 TYR A 74 -0.437 -8.099 3.671 1.00 0.00 C ATOM 1100 CD2 TYR A 74 -1.162 -5.816 4.096 1.00 0.00 C ATOM 1101 CE1 TYR A 74 0.872 -7.639 3.431 1.00 0.00 C ATOM 1102 CE2 TYR A 74 0.147 -5.349 3.872 1.00 0.00 C ATOM 1103 CZ TYR A 74 1.173 -6.265 3.546 1.00 0.00 C ATOM 1104 OH TYR A 74 2.441 -5.832 3.330 1.00 0.00 O ATOM 0 H TYR A 74 -2.608 -9.301 1.730 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.724 -8.345 3.421 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -3.406 -6.899 4.831 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.786 -8.528 5.011 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -0.659 -9.153 3.593 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.947 -5.114 4.335 1.00 0.00 H new ATOM 0 HE1 TYR A 74 1.648 -8.339 3.158 1.00 0.00 H new ATOM 0 HE2 TYR A 74 0.367 -4.294 3.949 1.00 0.00 H new ATOM 0 HH TYR A 74 2.418 -4.923 2.964 1.00 0.00 H new ATOM 1114 N ARG A 75 -4.545 -5.951 2.398 1.00 0.00 N ATOM 1115 CA ARG A 75 -4.720 -4.747 1.565 1.00 0.00 C ATOM 1116 C ARG A 75 -5.137 -3.541 2.423 1.00 0.00 C ATOM 1117 O ARG A 75 -6.000 -3.680 3.283 1.00 0.00 O ATOM 1118 CB ARG A 75 -5.776 -5.054 0.475 1.00 0.00 C ATOM 1119 CG ARG A 75 -5.877 -4.032 -0.671 1.00 0.00 C ATOM 1120 CD ARG A 75 -4.579 -3.938 -1.484 1.00 0.00 C ATOM 1121 NE ARG A 75 -4.742 -3.101 -2.684 1.00 0.00 N ATOM 1122 CZ ARG A 75 -3.767 -2.733 -3.511 1.00 0.00 C ATOM 1123 NH1 ARG A 75 -2.505 -3.050 -3.289 1.00 0.00 N ATOM 1124 NH2 ARG A 75 -4.055 -2.032 -4.586 1.00 0.00 N ATOM 0 H ARG A 75 -5.045 -5.894 3.285 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.774 -4.486 1.090 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.553 -6.031 0.046 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -6.752 -5.131 0.954 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -6.698 -4.311 -1.332 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.118 -3.051 -0.260 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.788 -3.525 -0.858 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.262 -4.938 -1.779 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.684 -2.775 -2.900 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.253 -3.593 -2.463 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.782 -2.752 -3.943 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.022 -1.773 -4.782 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.311 -1.747 -5.223 1.00 0.00 H new ATOM 1138 N VAL A 76 -4.552 -2.360 2.202 1.00 0.00 N ATOM 1139 CA VAL A 76 -4.986 -1.107 2.869 1.00 0.00 C ATOM 1140 C VAL A 76 -6.284 -0.616 2.216 1.00 0.00 C ATOM 1141 O VAL A 76 -6.388 -0.612 0.989 1.00 0.00 O ATOM 1142 CB VAL A 76 -3.895 -0.008 2.811 1.00 0.00 C ATOM 1143 CG1 VAL A 76 -4.354 1.353 3.367 1.00 0.00 C ATOM 1144 CG2 VAL A 76 -2.651 -0.460 3.594 1.00 0.00 C ATOM 0 H VAL A 76 -3.768 -2.235 1.562 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.159 -1.321 3.924 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.670 0.131 1.754 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.537 2.071 3.293 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.206 1.713 2.791 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.644 1.240 4.412 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.889 0.318 3.548 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.922 -0.642 4.634 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.259 -1.378 3.156 1.00 0.00 H new ATOM 1154 N ASN A 77 -7.255 -0.181 3.028 1.00 0.00 N ATOM 1155 CA ASN A 77 -8.512 0.395 2.536 1.00 0.00 C ATOM 1156 C ASN A 77 -9.118 1.380 3.546 1.00 0.00 C ATOM 1157 O ASN A 77 -9.325 1.032 4.705 1.00 0.00 O ATOM 1158 CB ASN A 77 -9.518 -0.719 2.186 1.00 0.00 C ATOM 1159 CG ASN A 77 -10.786 -0.142 1.558 1.00 0.00 C ATOM 1160 OD1 ASN A 77 -10.870 0.050 0.351 1.00 0.00 O ATOM 1161 ND2 ASN A 77 -11.783 0.221 2.352 1.00 0.00 N ATOM 0 H ASN A 77 -7.191 -0.219 4.045 1.00 0.00 H new ATOM 0 HA ASN A 77 -8.286 0.956 1.629 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -9.057 -1.426 1.496 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.776 -1.276 3.087 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -12.616 0.658 1.958 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.718 0.063 3.358 1.00 0.00 H new ATOM 1168 N ASN A 78 -9.456 2.589 3.083 1.00 0.00 N ATOM 1169 CA ASN A 78 -9.895 3.707 3.931 1.00 0.00 C ATOM 1170 C ASN A 78 -10.961 4.571 3.215 1.00 0.00 C ATOM 1171 O ASN A 78 -10.926 5.798 3.234 1.00 0.00 O ATOM 1172 CB ASN A 78 -8.630 4.480 4.355 1.00 0.00 C ATOM 1173 CG ASN A 78 -8.816 5.370 5.575 1.00 0.00 C ATOM 1174 OD1 ASN A 78 -9.717 5.188 6.385 1.00 0.00 O ATOM 1175 ND2 ASN A 78 -7.933 6.334 5.758 1.00 0.00 N ATOM 0 H ASN A 78 -9.432 2.824 2.091 1.00 0.00 H new ATOM 0 HA ASN A 78 -10.401 3.355 4.830 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.834 3.765 4.560 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -8.298 5.095 3.519 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -7.997 6.935 6.579 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -7.186 6.478 5.078 1.00 0.00 H new ATOM 1182 N SER A 79 -11.887 3.913 2.511 1.00 0.00 N ATOM 1183 CA SER A 79 -12.849 4.541 1.589 1.00 0.00 C ATOM 1184 C SER A 79 -13.954 5.367 2.265 1.00 0.00 C ATOM 1185 O SER A 79 -14.236 6.487 1.827 1.00 0.00 O ATOM 1186 CB SER A 79 -13.463 3.455 0.690 1.00 0.00 C ATOM 1187 OG SER A 79 -13.926 2.345 1.453 1.00 0.00 O ATOM 0 H SER A 79 -11.994 2.900 2.566 1.00 0.00 H new ATOM 0 HA SER A 79 -12.283 5.265 1.003 1.00 0.00 H new ATOM 0 HB2 SER A 79 -14.291 3.878 0.121 1.00 0.00 H new ATOM 0 HB3 SER A 79 -12.720 3.117 -0.032 1.00 0.00 H new ATOM 0 HG SER A 79 -14.312 1.673 0.853 1.00 0.00 H new ATOM 1193 N LEU A 80 -14.556 4.853 3.347 1.00 0.00 N ATOM 1194 CA LEU A 80 -15.623 5.550 4.086 1.00 0.00 C ATOM 1195 C LEU A 80 -15.122 6.867 4.699 1.00 0.00 C ATOM 1196 O LEU A 80 -15.837 7.862 4.734 1.00 0.00 O ATOM 1197 CB LEU A 80 -16.182 4.606 5.174 1.00 0.00 C ATOM 1198 CG LEU A 80 -17.432 5.163 5.890 1.00 0.00 C ATOM 1199 CD1 LEU A 80 -18.659 5.193 4.965 1.00 0.00 C ATOM 1200 CD2 LEU A 80 -17.731 4.341 7.151 1.00 0.00 C ATOM 0 H LEU A 80 -14.318 3.941 3.736 1.00 0.00 H new ATOM 0 HA LEU A 80 -16.420 5.813 3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -16.431 3.647 4.719 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -15.404 4.416 5.913 1.00 0.00 H new ATOM 0 HG LEU A 80 -17.216 6.192 6.176 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -19.515 5.592 5.509 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -18.450 5.827 4.103 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -18.884 4.182 4.626 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -18.614 4.744 7.647 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -17.912 3.302 6.874 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -16.879 4.392 7.829 1.00 0.00 H new ATOM 1212 N ASP A 81 -13.866 6.885 5.142 1.00 0.00 N ATOM 1213 CA ASP A 81 -13.220 8.016 5.814 1.00 0.00 C ATOM 1214 C ASP A 81 -13.167 9.300 4.973 1.00 0.00 C ATOM 1215 O ASP A 81 -13.212 10.404 5.515 1.00 0.00 O ATOM 1216 CB ASP A 81 -11.807 7.558 6.166 1.00 0.00 C ATOM 1217 CG ASP A 81 -11.105 8.518 7.112 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -11.387 8.401 8.326 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -10.228 9.296 6.676 1.00 0.00 O ATOM 0 H ASP A 81 -13.245 6.082 5.040 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.808 8.283 6.692 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -11.852 6.570 6.623 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -11.222 7.460 5.252 1.00 0.00 H new ATOM 1224 N HIS A 82 -13.137 9.149 3.647 1.00 0.00 N ATOM 1225 CA HIS A 82 -13.190 10.252 2.687 1.00 0.00 C ATOM 1226 C HIS A 82 -14.533 11.025 2.746 1.00 0.00 C ATOM 1227 O HIS A 82 -14.598 12.186 2.333 1.00 0.00 O ATOM 1228 CB HIS A 82 -12.918 9.659 1.296 1.00 0.00 C ATOM 1229 CG HIS A 82 -12.742 10.685 0.204 1.00 0.00 C ATOM 1230 ND1 HIS A 82 -11.582 11.365 -0.099 1.00 0.00 N ATOM 1231 CD2 HIS A 82 -13.696 11.100 -0.687 1.00 0.00 C ATOM 1232 CE1 HIS A 82 -11.832 12.170 -1.147 1.00 0.00 C ATOM 1233 NE2 HIS A 82 -13.114 12.045 -1.546 1.00 0.00 N ATOM 0 H HIS A 82 -13.074 8.234 3.201 1.00 0.00 H new ATOM 0 HA HIS A 82 -12.432 10.996 2.932 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -12.020 9.043 1.347 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -13.743 8.999 1.028 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -14.720 10.759 -0.722 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -11.107 12.826 -1.605 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -13.568 12.537 -2.315 1.00 0.00 H new ATOM 1241 N GLU A 83 -15.587 10.415 3.305 1.00 0.00 N ATOM 1242 CA GLU A 83 -16.878 11.064 3.548 1.00 0.00 C ATOM 1243 C GLU A 83 -16.871 11.967 4.800 1.00 0.00 C ATOM 1244 O GLU A 83 -17.770 12.799 4.953 1.00 0.00 O ATOM 1245 CB GLU A 83 -17.997 10.015 3.699 1.00 0.00 C ATOM 1246 CG GLU A 83 -18.147 9.064 2.501 1.00 0.00 C ATOM 1247 CD GLU A 83 -18.517 9.812 1.211 1.00 0.00 C ATOM 1248 OE1 GLU A 83 -19.658 10.325 1.110 1.00 0.00 O ATOM 1249 OE2 GLU A 83 -17.680 9.877 0.280 1.00 0.00 O ATOM 0 H GLU A 83 -15.564 9.440 3.605 1.00 0.00 H new ATOM 0 HA GLU A 83 -17.065 11.694 2.678 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -17.804 9.423 4.594 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -18.943 10.532 3.856 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -17.213 8.522 2.350 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -18.914 8.322 2.722 1.00 0.00 H new ATOM 1256 N TYR A 84 -15.877 11.824 5.693 1.00 0.00 N ATOM 1257 CA TYR A 84 -15.878 12.456 7.020 1.00 0.00 C ATOM 1258 C TYR A 84 -14.748 13.471 7.290 1.00 0.00 C ATOM 1259 O TYR A 84 -15.025 14.668 7.399 1.00 0.00 O ATOM 1260 CB TYR A 84 -15.881 11.361 8.104 1.00 0.00 C ATOM 1261 CG TYR A 84 -16.967 10.300 8.018 1.00 0.00 C ATOM 1262 CD1 TYR A 84 -18.290 10.635 7.663 1.00 0.00 C ATOM 1263 CD2 TYR A 84 -16.643 8.963 8.326 1.00 0.00 C ATOM 1264 CE1 TYR A 84 -19.273 9.632 7.562 1.00 0.00 C ATOM 1265 CE2 TYR A 84 -17.626 7.960 8.246 1.00 0.00 C ATOM 1266 CZ TYR A 84 -18.939 8.290 7.840 1.00 0.00 C ATOM 1267 OH TYR A 84 -19.884 7.319 7.712 1.00 0.00 O ATOM 0 H TYR A 84 -15.045 11.262 5.511 1.00 0.00 H new ATOM 0 HA TYR A 84 -16.787 13.056 7.050 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -14.914 10.858 8.078 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -15.961 11.848 9.076 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -18.550 11.665 7.468 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -15.637 8.708 8.624 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -20.281 9.890 7.272 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -17.378 6.939 8.495 1.00 0.00 H new ATOM 0 HH TYR A 84 -20.525 7.576 7.016 1.00 0.00 H new ATOM 1277 N GLN A 85 -13.511 13.008 7.534 1.00 0.00 N ATOM 1278 CA GLN A 85 -12.662 13.616 8.574 1.00 0.00 C ATOM 1279 C GLN A 85 -11.218 13.967 8.143 1.00 0.00 C ATOM 1280 O GLN A 85 -10.665 13.293 7.271 1.00 0.00 O ATOM 1281 CB GLN A 85 -12.643 12.683 9.806 1.00 0.00 C ATOM 1282 CG GLN A 85 -11.964 11.313 9.604 1.00 0.00 C ATOM 1283 CD GLN A 85 -11.942 10.462 10.878 1.00 0.00 C ATOM 1284 OE1 GLN A 85 -11.673 10.924 11.972 1.00 0.00 O ATOM 1285 NE2 GLN A 85 -12.210 9.183 10.805 1.00 0.00 N ATOM 0 H GLN A 85 -13.081 12.229 7.036 1.00 0.00 H new ATOM 0 HA GLN A 85 -13.114 14.581 8.803 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -12.138 13.200 10.621 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.671 12.513 10.125 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -12.486 10.767 8.818 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.942 11.468 9.259 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -12.440 8.761 9.905 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -12.189 8.609 11.648 1.00 0.00 H new ATOM 1294 N PRO A 86 -10.575 14.969 8.795 1.00 0.00 N ATOM 1295 CA PRO A 86 -9.143 15.264 8.654 1.00 0.00 C ATOM 1296 C PRO A 86 -8.211 14.169 9.207 1.00 0.00 C ATOM 1297 O PRO A 86 -7.025 14.176 8.879 1.00 0.00 O ATOM 1298 CB PRO A 86 -8.897 16.567 9.429 1.00 0.00 C ATOM 1299 CG PRO A 86 -10.273 17.218 9.515 1.00 0.00 C ATOM 1300 CD PRO A 86 -11.202 16.011 9.607 1.00 0.00 C ATOM 0 HA PRO A 86 -8.911 15.334 7.591 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -8.487 16.370 10.420 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.184 17.209 8.912 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -10.362 17.866 10.387 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -10.488 17.830 8.639 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -11.320 15.685 10.640 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -12.197 16.253 9.234 1.00 0.00 H new ATOM 1308 N ARG A 87 -8.734 13.256 10.049 1.00 0.00 N ATOM 1309 CA ARG A 87 -8.093 12.033 10.562 1.00 0.00 C ATOM 1310 C ARG A 87 -6.988 12.320 11.616 1.00 0.00 C ATOM 1311 O ARG A 87 -5.807 12.396 11.263 1.00 0.00 O ATOM 1312 CB ARG A 87 -7.614 11.175 9.370 1.00 0.00 C ATOM 1313 CG ARG A 87 -7.231 9.738 9.752 1.00 0.00 C ATOM 1314 CD ARG A 87 -8.457 8.872 10.052 1.00 0.00 C ATOM 1315 NE ARG A 87 -8.031 7.478 10.307 1.00 0.00 N ATOM 1316 CZ ARG A 87 -8.479 6.386 9.695 1.00 0.00 C ATOM 1317 NH1 ARG A 87 -9.531 6.415 8.909 1.00 0.00 N ATOM 1318 NH2 ARG A 87 -7.863 5.238 9.856 1.00 0.00 N ATOM 0 H ARG A 87 -9.681 13.363 10.413 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.831 11.454 11.118 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -8.403 11.143 8.618 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.753 11.660 8.909 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.661 9.288 8.939 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.580 9.758 10.626 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.989 9.265 10.919 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -9.151 8.903 9.212 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.321 7.341 11.026 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.028 7.292 8.754 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.851 5.560 8.453 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.037 5.181 10.452 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.210 4.403 9.385 1.00 0.00 H new ATOM 1332 N PRO A 88 -7.340 12.448 12.917 1.00 0.00 N ATOM 1333 CA PRO A 88 -6.378 12.668 14.000 1.00 0.00 C ATOM 1334 C PRO A 88 -5.668 11.354 14.360 1.00 0.00 C ATOM 1335 O PRO A 88 -6.155 10.568 15.169 1.00 0.00 O ATOM 1336 CB PRO A 88 -7.202 13.247 15.155 1.00 0.00 C ATOM 1337 CG PRO A 88 -8.561 12.578 14.976 1.00 0.00 C ATOM 1338 CD PRO A 88 -8.698 12.494 13.454 1.00 0.00 C ATOM 0 HA PRO A 88 -5.577 13.355 13.728 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -6.761 13.011 16.123 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.275 14.333 15.094 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.591 11.592 15.440 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.363 13.165 15.423 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -9.260 11.607 13.164 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -9.240 13.356 13.065 1.00 0.00 H new ATOM 1346 N VAL A 89 -4.501 11.117 13.751 1.00 0.00 N ATOM 1347 CA VAL A 89 -3.755 9.844 13.853 1.00 0.00 C ATOM 1348 C VAL A 89 -3.427 9.481 15.307 1.00 0.00 C ATOM 1349 O VAL A 89 -3.570 8.321 15.680 1.00 0.00 O ATOM 1350 CB VAL A 89 -2.480 9.892 12.970 1.00 0.00 C ATOM 1351 CG1 VAL A 89 -1.443 8.804 13.288 1.00 0.00 C ATOM 1352 CG2 VAL A 89 -2.875 9.776 11.488 1.00 0.00 C ATOM 0 H VAL A 89 -4.036 11.809 13.164 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.399 9.049 13.477 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.006 10.849 13.190 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.586 8.913 12.624 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.115 8.905 14.323 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.891 7.821 13.144 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.979 9.810 10.869 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.395 8.832 11.323 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.532 10.604 11.221 1.00 0.00 H new ATOM 1362 N GLU A 90 -3.074 10.458 16.150 1.00 0.00 N ATOM 1363 CA GLU A 90 -2.715 10.194 17.554 1.00 0.00 C ATOM 1364 C GLU A 90 -3.927 9.750 18.379 1.00 0.00 C ATOM 1365 O GLU A 90 -3.839 8.799 19.157 1.00 0.00 O ATOM 1366 CB GLU A 90 -2.086 11.445 18.195 1.00 0.00 C ATOM 1367 CG GLU A 90 -0.794 11.923 17.524 1.00 0.00 C ATOM 1368 CD GLU A 90 0.349 10.905 17.651 1.00 0.00 C ATOM 1369 OE1 GLU A 90 0.881 10.723 18.772 1.00 0.00 O ATOM 1370 OE2 GLU A 90 0.742 10.299 16.627 1.00 0.00 O ATOM 0 H GLU A 90 -3.028 11.442 15.886 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.989 9.381 17.552 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -2.814 12.255 18.170 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.879 11.235 19.244 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -0.987 12.117 16.469 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.485 12.868 17.971 1.00 0.00 H new ATOM 1377 N VAL A 91 -5.084 10.391 18.176 1.00 0.00 N ATOM 1378 CA VAL A 91 -6.334 10.062 18.894 1.00 0.00 C ATOM 1379 C VAL A 91 -6.866 8.698 18.439 1.00 0.00 C ATOM 1380 O VAL A 91 -7.372 7.926 19.249 1.00 0.00 O ATOM 1381 CB VAL A 91 -7.393 11.173 18.698 1.00 0.00 C ATOM 1382 CG1 VAL A 91 -8.746 10.840 19.354 1.00 0.00 C ATOM 1383 CG2 VAL A 91 -6.882 12.515 19.255 1.00 0.00 C ATOM 0 H VAL A 91 -5.186 11.156 17.509 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.116 10.002 19.960 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.555 11.247 17.623 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -9.445 11.658 19.181 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.145 9.923 18.920 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -8.606 10.703 20.426 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.641 13.283 19.107 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.673 12.411 20.320 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.969 12.802 18.733 1.00 0.00 H new ATOM 1393 N ILE A 92 -6.701 8.365 17.155 1.00 0.00 N ATOM 1394 CA ILE A 92 -7.118 7.072 16.576 1.00 0.00 C ATOM 1395 C ILE A 92 -6.194 5.926 17.009 1.00 0.00 C ATOM 1396 O ILE A 92 -6.690 4.876 17.407 1.00 0.00 O ATOM 1397 CB ILE A 92 -7.296 7.263 15.048 1.00 0.00 C ATOM 1398 CG1 ILE A 92 -8.598 8.085 14.867 1.00 0.00 C ATOM 1399 CG2 ILE A 92 -7.326 5.934 14.266 1.00 0.00 C ATOM 1400 CD1 ILE A 92 -8.846 8.601 13.453 1.00 0.00 C ATOM 0 H ILE A 92 -6.269 8.990 16.475 1.00 0.00 H new ATOM 0 HA ILE A 92 -8.085 6.756 16.967 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.437 7.788 14.630 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.444 7.466 15.165 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -8.570 8.936 15.548 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -7.453 6.140 13.203 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.390 5.399 14.423 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.157 5.323 14.619 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -9.780 9.163 13.429 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.024 9.251 13.153 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.912 7.758 12.765 1.00 0.00 H new ATOM 1412 N ILE A 93 -4.873 6.137 17.073 1.00 0.00 N ATOM 1413 CA ILE A 93 -3.937 5.159 17.668 1.00 0.00 C ATOM 1414 C ILE A 93 -4.191 4.997 19.172 1.00 0.00 C ATOM 1415 O ILE A 93 -4.160 3.879 19.677 1.00 0.00 O ATOM 1416 CB ILE A 93 -2.477 5.567 17.346 1.00 0.00 C ATOM 1417 CG1 ILE A 93 -2.222 5.343 15.837 1.00 0.00 C ATOM 1418 CG2 ILE A 93 -1.457 4.786 18.200 1.00 0.00 C ATOM 1419 CD1 ILE A 93 -0.885 5.902 15.349 1.00 0.00 C ATOM 0 H ILE A 93 -4.421 6.980 16.719 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.109 4.178 17.224 1.00 0.00 H new ATOM 0 HB ILE A 93 -2.343 6.620 17.593 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -2.257 4.274 15.627 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.028 5.806 15.269 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -0.447 5.104 17.941 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -1.640 4.983 19.256 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -1.562 3.718 18.007 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.777 5.707 14.282 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -0.853 6.977 15.527 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.070 5.421 15.890 1.00 0.00 H new ATOM 1431 N SER A 94 -4.485 6.080 19.887 1.00 0.00 N ATOM 1432 CA SER A 94 -4.783 6.018 21.327 1.00 0.00 C ATOM 1433 C SER A 94 -6.083 5.242 21.583 1.00 0.00 C ATOM 1434 O SER A 94 -6.159 4.415 22.490 1.00 0.00 O ATOM 1435 CB SER A 94 -4.890 7.428 21.930 1.00 0.00 C ATOM 1436 OG SER A 94 -3.702 8.181 21.741 1.00 0.00 O ATOM 0 H SER A 94 -4.525 7.021 19.495 1.00 0.00 H new ATOM 0 HA SER A 94 -3.959 5.494 21.811 1.00 0.00 H new ATOM 0 HB2 SER A 94 -5.729 7.954 21.474 1.00 0.00 H new ATOM 0 HB3 SER A 94 -5.104 7.351 22.996 1.00 0.00 H new ATOM 0 HG SER A 94 -3.542 8.304 20.782 1.00 0.00 H new ATOM 1442 N SER A 95 -7.096 5.453 20.738 1.00 0.00 N ATOM 1443 CA SER A 95 -8.352 4.700 20.752 1.00 0.00 C ATOM 1444 C SER A 95 -8.110 3.209 20.475 1.00 0.00 C ATOM 1445 O SER A 95 -8.587 2.357 21.225 1.00 0.00 O ATOM 1446 CB SER A 95 -9.317 5.287 19.711 1.00 0.00 C ATOM 1447 OG SER A 95 -9.739 6.599 20.067 1.00 0.00 O ATOM 0 H SER A 95 -7.065 6.167 20.010 1.00 0.00 H new ATOM 0 HA SER A 95 -8.795 4.785 21.744 1.00 0.00 H new ATOM 0 HB2 SER A 95 -8.829 5.313 18.736 1.00 0.00 H new ATOM 0 HB3 SER A 95 -10.187 4.638 19.615 1.00 0.00 H new ATOM 0 HG SER A 95 -9.028 7.240 19.856 1.00 0.00 H new ATOM 1453 N ALA A 96 -7.318 2.881 19.448 1.00 0.00 N ATOM 1454 CA ALA A 96 -6.965 1.505 19.106 1.00 0.00 C ATOM 1455 C ALA A 96 -6.241 0.779 20.254 1.00 0.00 C ATOM 1456 O ALA A 96 -6.585 -0.356 20.580 1.00 0.00 O ATOM 1457 CB ALA A 96 -6.139 1.549 17.810 1.00 0.00 C ATOM 0 H ALA A 96 -6.901 3.574 18.826 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.868 0.917 18.944 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.857 0.536 17.524 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.734 1.999 17.015 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.240 2.144 17.972 1.00 0.00 H new ATOM 1463 N LYS A 97 -5.306 1.452 20.937 1.00 0.00 N ATOM 1464 CA LYS A 97 -4.678 0.928 22.157 1.00 0.00 C ATOM 1465 C LYS A 97 -5.699 0.731 23.295 1.00 0.00 C ATOM 1466 O LYS A 97 -5.744 -0.342 23.899 1.00 0.00 O ATOM 1467 CB LYS A 97 -3.523 1.858 22.567 1.00 0.00 C ATOM 1468 CG LYS A 97 -2.322 1.743 21.611 1.00 0.00 C ATOM 1469 CD LYS A 97 -1.227 2.747 21.995 1.00 0.00 C ATOM 1470 CE LYS A 97 -0.019 2.611 21.056 1.00 0.00 C ATOM 1471 NZ LYS A 97 1.078 3.545 21.437 1.00 0.00 N ATOM 0 H LYS A 97 -4.964 2.372 20.661 1.00 0.00 H new ATOM 0 HA LYS A 97 -4.275 -0.063 21.950 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -3.876 2.889 22.583 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -3.204 1.615 23.580 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.921 0.730 21.643 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.647 1.925 20.587 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.622 3.762 21.944 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.915 2.577 23.026 1.00 0.00 H new ATOM 0 HE2 LYS A 97 0.350 1.586 21.082 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.330 2.812 20.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 1.878 3.427 20.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.732 4.525 21.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 1.391 3.336 22.407 1.00 0.00 H new ATOM 1485 N GLU A 98 -6.576 1.704 23.552 1.00 0.00 N ATOM 1486 CA GLU A 98 -7.607 1.615 24.600 1.00 0.00 C ATOM 1487 C GLU A 98 -8.603 0.460 24.381 1.00 0.00 C ATOM 1488 O GLU A 98 -9.085 -0.127 25.351 1.00 0.00 O ATOM 1489 CB GLU A 98 -8.370 2.946 24.719 1.00 0.00 C ATOM 1490 CG GLU A 98 -7.576 4.033 25.455 1.00 0.00 C ATOM 1491 CD GLU A 98 -7.452 3.740 26.956 1.00 0.00 C ATOM 1492 OE1 GLU A 98 -8.412 4.021 27.712 1.00 0.00 O ATOM 1493 OE2 GLU A 98 -6.389 3.242 27.397 1.00 0.00 O ATOM 0 H GLU A 98 -6.595 2.584 23.037 1.00 0.00 H new ATOM 0 HA GLU A 98 -7.078 1.405 25.529 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.623 3.303 23.721 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.310 2.773 25.244 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -6.581 4.113 25.018 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.065 4.997 25.313 1.00 0.00 H new ATOM 1500 N MET A 99 -8.869 0.083 23.125 1.00 0.00 N ATOM 1501 CA MET A 99 -9.747 -1.050 22.773 1.00 0.00 C ATOM 1502 C MET A 99 -9.146 -2.436 23.076 1.00 0.00 C ATOM 1503 O MET A 99 -9.881 -3.423 23.045 1.00 0.00 O ATOM 1504 CB MET A 99 -10.146 -0.979 21.290 1.00 0.00 C ATOM 1505 CG MET A 99 -11.123 0.161 20.996 1.00 0.00 C ATOM 1506 SD MET A 99 -11.696 0.209 19.280 1.00 0.00 S ATOM 1507 CE MET A 99 -12.918 -1.124 19.337 1.00 0.00 C ATOM 0 H MET A 99 -8.478 0.559 22.312 1.00 0.00 H new ATOM 0 HA MET A 99 -10.623 -0.946 23.413 1.00 0.00 H new ATOM 0 HB2 MET A 99 -9.250 -0.850 20.683 1.00 0.00 H new ATOM 0 HB3 MET A 99 -10.598 -1.925 20.994 1.00 0.00 H new ATOM 0 HG2 MET A 99 -11.986 0.066 21.655 1.00 0.00 H new ATOM 0 HG3 MET A 99 -10.642 1.110 21.235 1.00 0.00 H new ATOM 0 HE1 MET A 99 -13.440 -1.180 18.382 1.00 0.00 H new ATOM 0 HE2 MET A 99 -12.415 -2.071 19.531 1.00 0.00 H new ATOM 0 HE3 MET A 99 -13.636 -0.925 20.132 1.00 0.00 H new ATOM 1517 N VAL A 100 -7.847 -2.545 23.369 1.00 0.00 N ATOM 1518 CA VAL A 100 -7.186 -3.840 23.634 1.00 0.00 C ATOM 1519 C VAL A 100 -7.888 -4.594 24.766 1.00 0.00 C ATOM 1520 O VAL A 100 -8.073 -4.079 25.870 1.00 0.00 O ATOM 1521 CB VAL A 100 -5.675 -3.695 23.939 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -5.020 -5.014 24.387 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -4.929 -3.231 22.683 1.00 0.00 C ATOM 0 H VAL A 100 -7.219 -1.744 23.431 1.00 0.00 H new ATOM 0 HA VAL A 100 -7.271 -4.419 22.715 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.604 -2.971 24.750 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.962 -4.846 24.585 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -5.507 -5.372 25.294 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -5.127 -5.760 23.599 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -3.867 -3.132 22.907 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.065 -3.963 21.887 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.324 -2.267 22.361 1.00 0.00 H new ATOM 1533 N GLY A 101 -8.271 -5.837 24.459 1.00 0.00 N ATOM 1534 CA GLY A 101 -8.929 -6.769 25.376 1.00 0.00 C ATOM 1535 C GLY A 101 -10.457 -6.692 25.375 1.00 0.00 C ATOM 1536 O GLY A 101 -11.073 -7.471 26.103 1.00 0.00 O ATOM 0 H GLY A 101 -8.125 -6.235 23.531 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -8.629 -7.785 25.118 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -8.569 -6.578 26.387 1.00 0.00 H new ATOM 1540 N GLN A 102 -11.085 -5.798 24.594 1.00 0.00 N ATOM 1541 CA GLN A 102 -12.546 -5.739 24.518 1.00 0.00 C ATOM 1542 C GLN A 102 -13.098 -6.894 23.673 1.00 0.00 C ATOM 1543 O GLN A 102 -12.512 -7.293 22.665 1.00 0.00 O ATOM 1544 CB GLN A 102 -13.074 -4.349 24.094 1.00 0.00 C ATOM 1545 CG GLN A 102 -13.172 -4.034 22.587 1.00 0.00 C ATOM 1546 CD GLN A 102 -13.947 -2.734 22.351 1.00 0.00 C ATOM 1547 OE1 GLN A 102 -13.604 -1.672 22.854 1.00 0.00 O ATOM 1548 NE2 GLN A 102 -15.037 -2.761 21.607 1.00 0.00 N ATOM 0 H GLN A 102 -10.604 -5.112 24.012 1.00 0.00 H new ATOM 0 HA GLN A 102 -12.933 -5.877 25.528 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -14.067 -4.225 24.525 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -12.432 -3.596 24.550 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -12.171 -3.948 22.163 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -13.667 -4.856 22.071 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -15.340 -3.635 21.179 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -15.576 -1.907 21.461 1.00 0.00 H new ATOM 1557 N LYS A 103 -14.250 -7.411 24.100 1.00 0.00 N ATOM 1558 CA LYS A 103 -14.974 -8.527 23.474 1.00 0.00 C ATOM 1559 C LYS A 103 -16.368 -8.099 22.974 1.00 0.00 C ATOM 1560 O LYS A 103 -17.015 -7.238 23.577 1.00 0.00 O ATOM 1561 CB LYS A 103 -15.085 -9.696 24.471 1.00 0.00 C ATOM 1562 CG LYS A 103 -13.715 -10.326 24.778 1.00 0.00 C ATOM 1563 CD LYS A 103 -13.779 -11.413 25.861 1.00 0.00 C ATOM 1564 CE LYS A 103 -14.577 -12.646 25.414 1.00 0.00 C ATOM 1565 NZ LYS A 103 -14.551 -13.714 26.451 1.00 0.00 N ATOM 0 H LYS A 103 -14.728 -7.051 24.926 1.00 0.00 H new ATOM 0 HA LYS A 103 -14.409 -8.851 22.600 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -15.536 -9.340 25.397 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -15.751 -10.457 24.064 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -13.307 -10.757 23.864 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -13.026 -9.544 25.097 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -12.766 -11.717 26.126 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.233 -10.998 26.761 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.609 -12.359 25.210 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -14.163 -13.031 24.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -15.099 -14.533 26.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -13.568 -14.003 26.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -14.968 -13.352 27.332 1.00 0.00 H new ATOM 1579 N MET A 104 -16.824 -8.691 21.861 1.00 0.00 N ATOM 1580 CA MET A 104 -18.055 -8.302 21.136 1.00 0.00 C ATOM 1581 C MET A 104 -18.793 -9.516 20.555 1.00 0.00 C ATOM 1582 O MET A 104 -18.196 -10.563 20.322 1.00 0.00 O ATOM 1583 CB MET A 104 -17.702 -7.297 20.018 1.00 0.00 C ATOM 1584 CG MET A 104 -17.214 -5.952 20.582 1.00 0.00 C ATOM 1585 SD MET A 104 -16.774 -4.701 19.348 1.00 0.00 S ATOM 1586 CE MET A 104 -15.286 -5.484 18.680 1.00 0.00 C ATOM 0 H MET A 104 -16.339 -9.474 21.424 1.00 0.00 H new ATOM 0 HA MET A 104 -18.731 -7.832 21.851 1.00 0.00 H new ATOM 0 HB2 MET A 104 -16.929 -7.723 19.379 1.00 0.00 H new ATOM 0 HB3 MET A 104 -18.578 -7.130 19.391 1.00 0.00 H new ATOM 0 HG2 MET A 104 -17.993 -5.544 21.225 1.00 0.00 H new ATOM 0 HG3 MET A 104 -16.344 -6.137 21.213 1.00 0.00 H new ATOM 0 HE1 MET A 104 -14.651 -4.726 18.221 1.00 0.00 H new ATOM 0 HE2 MET A 104 -14.740 -5.975 19.486 1.00 0.00 H new ATOM 0 HE3 MET A 104 -15.569 -6.223 17.930 1.00 0.00 H new ATOM 1596 N LYS A 105 -20.096 -9.379 20.301 1.00 0.00 N ATOM 1597 CA LYS A 105 -20.975 -10.493 19.882 1.00 0.00 C ATOM 1598 C LYS A 105 -22.189 -10.039 19.042 1.00 0.00 C ATOM 1599 O LYS A 105 -22.625 -10.767 18.150 1.00 0.00 O ATOM 1600 CB LYS A 105 -21.397 -11.229 21.178 1.00 0.00 C ATOM 1601 CG LYS A 105 -22.560 -12.234 21.072 1.00 0.00 C ATOM 1602 CD LYS A 105 -22.330 -13.463 20.176 1.00 0.00 C ATOM 1603 CE LYS A 105 -21.592 -14.590 20.914 1.00 0.00 C ATOM 1604 NZ LYS A 105 -21.585 -15.843 20.107 1.00 0.00 N ATOM 0 H LYS A 105 -20.583 -8.486 20.379 1.00 0.00 H new ATOM 0 HA LYS A 105 -20.434 -11.159 19.211 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -20.526 -11.760 21.563 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -21.667 -10.478 21.920 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -22.800 -12.585 22.076 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -23.437 -11.702 20.702 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -23.290 -13.834 19.818 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -21.755 -13.168 19.299 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -20.567 -14.282 21.123 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -22.072 -14.775 21.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -21.009 -16.563 20.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -22.559 -16.193 20.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -21.182 -15.649 19.168 1.00 0.00 H new ATOM 1618 N TYR A 106 -22.739 -8.851 19.317 1.00 0.00 N ATOM 1619 CA TYR A 106 -24.000 -8.374 18.722 1.00 0.00 C ATOM 1620 C TYR A 106 -23.893 -7.983 17.232 1.00 0.00 C ATOM 1621 O TYR A 106 -22.811 -7.662 16.735 1.00 0.00 O ATOM 1622 CB TYR A 106 -24.533 -7.201 19.563 1.00 0.00 C ATOM 1623 CG TYR A 106 -24.712 -7.526 21.038 1.00 0.00 C ATOM 1624 CD1 TYR A 106 -25.734 -8.407 21.443 1.00 0.00 C ATOM 1625 CD2 TYR A 106 -23.842 -6.977 22.001 1.00 0.00 C ATOM 1626 CE1 TYR A 106 -25.889 -8.738 22.804 1.00 0.00 C ATOM 1627 CE2 TYR A 106 -23.989 -7.305 23.362 1.00 0.00 C ATOM 1628 CZ TYR A 106 -25.015 -8.188 23.770 1.00 0.00 C ATOM 1629 OH TYR A 106 -25.157 -8.504 25.087 1.00 0.00 O ATOM 0 H TYR A 106 -22.320 -8.184 19.965 1.00 0.00 H new ATOM 0 HA TYR A 106 -24.699 -9.210 18.740 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -23.848 -6.359 19.468 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -25.491 -6.880 19.154 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -26.402 -8.831 20.707 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -23.058 -6.301 21.693 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -26.676 -9.412 23.109 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -23.318 -6.882 24.095 1.00 0.00 H new ATOM 0 HH TYR A 106 -24.472 -8.038 25.611 1.00 0.00 H new ATOM 1639 N SER A 107 -25.039 -7.990 16.538 1.00 0.00 N ATOM 1640 CA SER A 107 -25.221 -7.654 15.109 1.00 0.00 C ATOM 1641 C SER A 107 -24.742 -8.777 14.157 1.00 0.00 C ATOM 1642 O SER A 107 -24.317 -9.857 14.582 1.00 0.00 O ATOM 1643 CB SER A 107 -24.590 -6.286 14.765 1.00 0.00 C ATOM 1644 OG SER A 107 -25.182 -5.742 13.591 1.00 0.00 O ATOM 0 H SER A 107 -25.921 -8.245 16.982 1.00 0.00 H new ATOM 0 HA SER A 107 -26.295 -7.568 14.945 1.00 0.00 H new ATOM 0 HB2 SER A 107 -24.725 -5.597 15.599 1.00 0.00 H new ATOM 0 HB3 SER A 107 -23.516 -6.402 14.617 1.00 0.00 H new ATOM 0 HG SER A 107 -24.772 -4.875 13.389 1.00 0.00 H new ATOM 1650 N ILE A 108 -24.824 -8.534 12.842 1.00 0.00 N ATOM 1651 CA ILE A 108 -24.309 -9.432 11.789 1.00 0.00 C ATOM 1652 C ILE A 108 -22.779 -9.298 11.721 1.00 0.00 C ATOM 1653 O ILE A 108 -22.272 -8.184 11.829 1.00 0.00 O ATOM 1654 CB ILE A 108 -24.975 -9.105 10.424 1.00 0.00 C ATOM 1655 CG1 ILE A 108 -26.523 -9.065 10.486 1.00 0.00 C ATOM 1656 CG2 ILE A 108 -24.522 -10.091 9.328 1.00 0.00 C ATOM 1657 CD1 ILE A 108 -27.203 -10.348 10.989 1.00 0.00 C ATOM 0 H ILE A 108 -25.259 -7.690 12.468 1.00 0.00 H new ATOM 0 HA ILE A 108 -24.558 -10.466 12.028 1.00 0.00 H new ATOM 0 HB ILE A 108 -24.638 -8.100 10.170 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -26.821 -8.240 11.133 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -26.903 -8.841 9.489 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -25.006 -9.835 8.386 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -23.440 -10.030 9.209 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -24.799 -11.106 9.614 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -28.284 -10.210 10.992 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -26.945 -11.178 10.331 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -26.863 -10.567 12.001 1.00 0.00 H new ATOM 1669 N VAL A 109 -22.037 -10.393 11.518 1.00 0.00 N ATOM 1670 CA VAL A 109 -20.556 -10.406 11.634 1.00 0.00 C ATOM 1671 C VAL A 109 -19.844 -9.394 10.715 1.00 0.00 C ATOM 1672 O VAL A 109 -18.838 -8.811 11.110 1.00 0.00 O ATOM 1673 CB VAL A 109 -19.986 -11.834 11.454 1.00 0.00 C ATOM 1674 CG1 VAL A 109 -20.116 -12.367 10.017 1.00 0.00 C ATOM 1675 CG2 VAL A 109 -18.524 -11.928 11.917 1.00 0.00 C ATOM 0 H VAL A 109 -22.436 -11.298 11.269 1.00 0.00 H new ATOM 0 HA VAL A 109 -20.342 -10.075 12.650 1.00 0.00 H new ATOM 0 HB VAL A 109 -20.601 -12.469 12.091 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -19.697 -13.372 9.962 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -21.168 -12.397 9.734 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -19.575 -11.711 9.335 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -18.162 -12.946 11.774 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -17.913 -11.240 11.333 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -18.459 -11.665 12.973 1.00 0.00 H new ATOM 1685 N SER A 110 -20.388 -9.115 9.527 1.00 0.00 N ATOM 1686 CA SER A 110 -19.871 -8.078 8.622 1.00 0.00 C ATOM 1687 C SER A 110 -19.977 -6.678 9.249 1.00 0.00 C ATOM 1688 O SER A 110 -18.978 -5.952 9.320 1.00 0.00 O ATOM 1689 CB SER A 110 -20.622 -8.148 7.280 1.00 0.00 C ATOM 1690 OG SER A 110 -22.033 -8.136 7.468 1.00 0.00 O ATOM 0 H SER A 110 -21.205 -9.604 9.161 1.00 0.00 H new ATOM 0 HA SER A 110 -18.812 -8.264 8.445 1.00 0.00 H new ATOM 0 HB2 SER A 110 -20.330 -7.304 6.655 1.00 0.00 H new ATOM 0 HB3 SER A 110 -20.333 -9.054 6.747 1.00 0.00 H new ATOM 0 HG SER A 110 -22.479 -8.180 6.597 1.00 0.00 H new ATOM 1696 N ARG A 111 -21.148 -6.325 9.800 1.00 0.00 N ATOM 1697 CA ARG A 111 -21.320 -5.077 10.553 1.00 0.00 C ATOM 1698 C ARG A 111 -20.526 -5.093 11.855 1.00 0.00 C ATOM 1699 O ARG A 111 -19.969 -4.063 12.200 1.00 0.00 O ATOM 1700 CB ARG A 111 -22.805 -4.758 10.800 1.00 0.00 C ATOM 1701 CG ARG A 111 -23.029 -3.367 11.437 1.00 0.00 C ATOM 1702 CD ARG A 111 -22.640 -2.183 10.540 1.00 0.00 C ATOM 1703 NE ARG A 111 -22.995 -0.910 11.193 1.00 0.00 N ATOM 1704 CZ ARG A 111 -22.708 0.316 10.759 1.00 0.00 C ATOM 1705 NH1 ARG A 111 -22.020 0.529 9.657 1.00 0.00 N ATOM 1706 NH2 ARG A 111 -23.122 1.361 11.444 1.00 0.00 N ATOM 0 H ARG A 111 -21.994 -6.891 9.736 1.00 0.00 H new ATOM 0 HA ARG A 111 -20.918 -4.273 9.937 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -23.344 -4.809 9.854 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -23.231 -5.522 11.451 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -24.081 -3.271 11.707 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -22.455 -3.309 12.362 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -21.570 -2.209 10.335 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -23.150 -2.262 9.580 1.00 0.00 H new ATOM 0 HE ARG A 111 -23.515 -0.975 12.068 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -21.687 -0.260 9.103 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -21.820 1.483 9.357 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -23.659 1.229 12.301 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -22.906 2.303 11.118 1.00 0.00 H new ATOM 1720 N ASN A 112 -20.392 -6.217 12.552 1.00 0.00 N ATOM 1721 CA ASN A 112 -19.580 -6.316 13.774 1.00 0.00 C ATOM 1722 C ASN A 112 -18.120 -5.873 13.520 1.00 0.00 C ATOM 1723 O ASN A 112 -17.597 -5.029 14.247 1.00 0.00 O ATOM 1724 CB ASN A 112 -19.672 -7.748 14.322 1.00 0.00 C ATOM 1725 CG ASN A 112 -19.077 -7.859 15.721 1.00 0.00 C ATOM 1726 OD1 ASN A 112 -17.878 -8.033 15.893 1.00 0.00 O ATOM 1727 ND2 ASN A 112 -19.892 -7.742 16.754 1.00 0.00 N ATOM 0 H ASN A 112 -20.843 -7.093 12.289 1.00 0.00 H new ATOM 0 HA ASN A 112 -19.972 -5.633 14.528 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -20.716 -8.062 14.345 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -19.149 -8.429 13.650 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -19.523 -7.797 17.703 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -20.890 -7.597 16.602 1.00 0.00 H new ATOM 1734 N CYS A 113 -17.516 -6.338 12.422 1.00 0.00 N ATOM 1735 CA CYS A 113 -16.199 -5.912 11.934 1.00 0.00 C ATOM 1736 C CYS A 113 -16.165 -4.437 11.476 1.00 0.00 C ATOM 1737 O CYS A 113 -15.299 -3.673 11.908 1.00 0.00 O ATOM 1738 CB CYS A 113 -15.810 -6.885 10.807 1.00 0.00 C ATOM 1739 SG CYS A 113 -15.495 -8.535 11.506 1.00 0.00 S ATOM 0 H CYS A 113 -17.945 -7.047 11.827 1.00 0.00 H new ATOM 0 HA CYS A 113 -15.473 -5.950 12.746 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -16.609 -6.939 10.068 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -14.921 -6.522 10.290 1.00 0.00 H new ATOM 0 HG CYS A 113 -16.615 -9.189 11.597 1.00 0.00 H new ATOM 1745 N GLU A 114 -17.116 -4.013 10.641 1.00 0.00 N ATOM 1746 CA GLU A 114 -17.201 -2.630 10.137 1.00 0.00 C ATOM 1747 C GLU A 114 -17.429 -1.608 11.270 1.00 0.00 C ATOM 1748 O GLU A 114 -16.799 -0.553 11.323 1.00 0.00 O ATOM 1749 CB GLU A 114 -18.333 -2.572 9.100 1.00 0.00 C ATOM 1750 CG GLU A 114 -18.473 -1.218 8.400 1.00 0.00 C ATOM 1751 CD GLU A 114 -19.644 -1.259 7.406 1.00 0.00 C ATOM 1752 OE1 GLU A 114 -20.812 -1.218 7.860 1.00 0.00 O ATOM 1753 OE2 GLU A 114 -19.398 -1.329 6.179 1.00 0.00 O ATOM 0 H GLU A 114 -17.857 -4.620 10.290 1.00 0.00 H new ATOM 0 HA GLU A 114 -16.252 -2.357 9.676 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -18.161 -3.342 8.347 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -19.275 -2.813 9.593 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -18.639 -0.433 9.138 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -17.549 -0.973 7.876 1.00 0.00 H new ATOM 1760 N HIS A 115 -18.292 -1.932 12.230 1.00 0.00 N ATOM 1761 CA HIS A 115 -18.563 -1.132 13.420 1.00 0.00 C ATOM 1762 C HIS A 115 -17.301 -1.050 14.307 1.00 0.00 C ATOM 1763 O HIS A 115 -16.918 0.043 14.721 1.00 0.00 O ATOM 1764 CB HIS A 115 -19.784 -1.730 14.138 1.00 0.00 C ATOM 1765 CG HIS A 115 -20.367 -0.888 15.246 1.00 0.00 C ATOM 1766 ND1 HIS A 115 -20.809 -1.352 16.459 1.00 0.00 N flip ATOM 1767 CD2 HIS A 115 -20.668 0.460 15.197 1.00 0.00 C flip ATOM 1768 CE1 HIS A 115 -21.351 -0.272 17.167 1.00 0.00 C flip ATOM 1769 NE2 HIS A 115 -21.259 0.797 16.355 1.00 0.00 N flip ATOM 0 H HIS A 115 -18.842 -2.791 12.199 1.00 0.00 H new ATOM 0 HA HIS A 115 -18.806 -0.102 13.157 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -20.563 -1.915 13.398 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -19.501 -2.698 14.552 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -20.464 1.126 14.372 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -21.761 -0.293 18.166 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -21.592 1.733 16.587 1.00 0.00 H new ATOM 1777 N PHE A 116 -16.572 -2.164 14.487 1.00 0.00 N ATOM 1778 CA PHE A 116 -15.246 -2.211 15.117 1.00 0.00 C ATOM 1779 C PHE A 116 -14.251 -1.253 14.440 1.00 0.00 C ATOM 1780 O PHE A 116 -13.679 -0.413 15.132 1.00 0.00 O ATOM 1781 CB PHE A 116 -14.738 -3.666 15.148 1.00 0.00 C ATOM 1782 CG PHE A 116 -13.225 -3.819 15.208 1.00 0.00 C ATOM 1783 CD1 PHE A 116 -12.538 -3.541 16.403 1.00 0.00 C ATOM 1784 CD2 PHE A 116 -12.498 -4.194 14.058 1.00 0.00 C ATOM 1785 CE1 PHE A 116 -11.137 -3.635 16.453 1.00 0.00 C ATOM 1786 CE2 PHE A 116 -11.095 -4.284 14.109 1.00 0.00 C ATOM 1787 CZ PHE A 116 -10.414 -4.013 15.309 1.00 0.00 C ATOM 0 H PHE A 116 -16.900 -3.082 14.189 1.00 0.00 H new ATOM 0 HA PHE A 116 -15.335 -1.861 16.145 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -15.173 -4.168 16.012 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -15.105 -4.182 14.261 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -13.090 -3.254 17.286 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -13.019 -4.412 13.138 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -10.615 -3.416 17.373 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -10.540 -4.562 13.225 1.00 0.00 H new ATOM 0 HZ PHE A 116 -9.338 -4.095 15.351 1.00 0.00 H new ATOM 1797 N VAL A 117 -14.073 -1.306 13.114 1.00 0.00 N ATOM 1798 CA VAL A 117 -13.164 -0.344 12.445 1.00 0.00 C ATOM 1799 C VAL A 117 -13.676 1.102 12.446 1.00 0.00 C ATOM 1800 O VAL A 117 -12.869 2.020 12.306 1.00 0.00 O ATOM 1801 CB VAL A 117 -12.678 -0.751 11.037 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -11.688 -1.912 11.134 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -13.794 -1.070 10.042 1.00 0.00 C ATOM 0 H VAL A 117 -14.525 -1.977 12.494 1.00 0.00 H new ATOM 0 HA VAL A 117 -12.283 -0.386 13.086 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.181 0.130 10.631 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.353 -2.189 10.134 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -10.829 -1.609 11.733 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -12.175 -2.767 11.604 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -13.358 -1.345 9.082 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -14.392 -1.899 10.420 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -14.429 -0.193 9.914 1.00 0.00 H new ATOM 1813 N THR A 118 -14.978 1.329 12.676 1.00 0.00 N ATOM 1814 CA THR A 118 -15.518 2.680 12.915 1.00 0.00 C ATOM 1815 C THR A 118 -15.164 3.133 14.330 1.00 0.00 C ATOM 1816 O THR A 118 -14.630 4.225 14.460 1.00 0.00 O ATOM 1817 CB THR A 118 -17.019 2.784 12.624 1.00 0.00 C ATOM 1818 OG1 THR A 118 -17.302 2.137 11.399 1.00 0.00 O ATOM 1819 CG2 THR A 118 -17.449 4.238 12.429 1.00 0.00 C ATOM 0 H THR A 118 -15.682 0.591 12.702 1.00 0.00 H new ATOM 0 HA THR A 118 -15.047 3.361 12.206 1.00 0.00 H new ATOM 0 HB THR A 118 -17.542 2.337 13.469 1.00 0.00 H new ATOM 0 HG1 THR A 118 -17.179 1.170 11.503 1.00 0.00 H new ATOM 0 HG21 THR A 118 -18.519 4.277 12.224 1.00 0.00 H new ATOM 0 HG22 THR A 118 -17.232 4.806 13.334 1.00 0.00 H new ATOM 0 HG23 THR A 118 -16.903 4.669 11.590 1.00 0.00 H new ATOM 1827 N GLN A 119 -15.328 2.292 15.359 1.00 0.00 N ATOM 1828 CA GLN A 119 -14.834 2.536 16.720 1.00 0.00 C ATOM 1829 C GLN A 119 -13.323 2.838 16.778 1.00 0.00 C ATOM 1830 O GLN A 119 -12.907 3.667 17.590 1.00 0.00 O ATOM 1831 CB GLN A 119 -15.157 1.332 17.622 1.00 0.00 C ATOM 1832 CG GLN A 119 -16.470 1.482 18.400 1.00 0.00 C ATOM 1833 CD GLN A 119 -17.739 1.307 17.568 1.00 0.00 C ATOM 1834 OE1 GLN A 119 -18.346 0.141 17.608 1.00 0.00 O flip ATOM 1835 NE2 GLN A 119 -18.222 2.220 16.911 1.00 0.00 N flip ATOM 0 H GLN A 119 -15.819 1.403 15.266 1.00 0.00 H new ATOM 0 HA GLN A 119 -15.348 3.428 17.079 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -15.209 0.433 17.008 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -14.340 1.189 18.329 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -16.481 0.751 19.209 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -16.490 2.469 18.862 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -17.755 3.126 16.877 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -19.091 2.075 16.398 1.00 0.00 H new ATOM 1844 N LEU A 120 -12.504 2.221 15.911 1.00 0.00 N ATOM 1845 CA LEU A 120 -11.086 2.561 15.764 1.00 0.00 C ATOM 1846 C LEU A 120 -10.903 3.991 15.226 1.00 0.00 C ATOM 1847 O LEU A 120 -10.303 4.829 15.901 1.00 0.00 O ATOM 1848 CB LEU A 120 -10.392 1.514 14.868 1.00 0.00 C ATOM 1849 CG LEU A 120 -10.213 0.119 15.505 1.00 0.00 C ATOM 1850 CD1 LEU A 120 -9.793 -0.891 14.427 1.00 0.00 C ATOM 1851 CD2 LEU A 120 -9.157 0.141 16.618 1.00 0.00 C ATOM 0 H LEU A 120 -12.811 1.471 15.292 1.00 0.00 H new ATOM 0 HA LEU A 120 -10.614 2.539 16.746 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -10.969 1.405 13.950 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.411 1.895 14.584 1.00 0.00 H new ATOM 0 HG LEU A 120 -11.167 -0.174 15.944 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -9.667 -1.875 14.879 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -10.562 -0.942 13.656 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.851 -0.575 13.979 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -9.057 -0.857 17.044 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -8.199 0.457 16.205 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -9.464 0.839 17.397 1.00 0.00 H new ATOM 1863 N ARG A 121 -11.440 4.290 14.030 1.00 0.00 N ATOM 1864 CA ARG A 121 -11.320 5.606 13.362 1.00 0.00 C ATOM 1865 C ARG A 121 -12.304 6.678 13.880 1.00 0.00 C ATOM 1866 O ARG A 121 -12.429 7.738 13.268 1.00 0.00 O ATOM 1867 CB ARG A 121 -11.381 5.432 11.828 1.00 0.00 C ATOM 1868 CG ARG A 121 -12.799 5.143 11.306 1.00 0.00 C ATOM 1869 CD ARG A 121 -12.813 4.465 9.930 1.00 0.00 C ATOM 1870 NE ARG A 121 -14.145 3.888 9.644 1.00 0.00 N ATOM 1871 CZ ARG A 121 -14.411 2.829 8.886 1.00 0.00 C ATOM 1872 NH1 ARG A 121 -13.512 2.307 8.080 1.00 0.00 N ATOM 1873 NH2 ARG A 121 -15.600 2.272 8.931 1.00 0.00 N ATOM 0 H ARG A 121 -11.980 3.615 13.488 1.00 0.00 H new ATOM 0 HA ARG A 121 -10.341 6.003 13.629 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -11.003 6.336 11.351 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -10.720 4.616 11.535 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -13.320 4.507 12.022 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -13.355 6.079 11.248 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -12.552 5.190 9.159 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -12.057 3.680 9.898 1.00 0.00 H new ATOM 0 HE ARG A 121 -14.945 4.352 10.074 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -12.579 2.715 8.024 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -13.748 1.494 7.511 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -16.318 2.652 9.547 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -15.805 1.459 8.350 1.00 0.00 H new ATOM 1887 N TYR A 122 -12.992 6.422 14.994 1.00 0.00 N ATOM 1888 CA TYR A 122 -14.113 7.208 15.531 1.00 0.00 C ATOM 1889 C TYR A 122 -13.739 8.664 15.901 1.00 0.00 C ATOM 1890 O TYR A 122 -14.606 9.528 16.048 1.00 0.00 O ATOM 1891 CB TYR A 122 -14.611 6.502 16.803 1.00 0.00 C ATOM 1892 CG TYR A 122 -16.023 6.860 17.229 1.00 0.00 C ATOM 1893 CD1 TYR A 122 -17.120 6.219 16.618 1.00 0.00 C ATOM 1894 CD2 TYR A 122 -16.243 7.798 18.258 1.00 0.00 C ATOM 1895 CE1 TYR A 122 -18.432 6.531 17.015 1.00 0.00 C ATOM 1896 CE2 TYR A 122 -17.554 8.108 18.665 1.00 0.00 C ATOM 1897 CZ TYR A 122 -18.657 7.477 18.042 1.00 0.00 C ATOM 1898 OH TYR A 122 -19.929 7.768 18.431 1.00 0.00 O ATOM 0 H TYR A 122 -12.773 5.617 15.581 1.00 0.00 H new ATOM 0 HA TYR A 122 -14.871 7.267 14.750 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -14.558 5.425 16.646 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -13.931 6.739 17.621 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -16.952 5.486 15.843 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -15.403 8.280 18.736 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -19.270 6.047 16.535 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -17.718 8.828 19.453 1.00 0.00 H new ATOM 0 HH TYR A 122 -19.907 8.436 19.147 1.00 0.00 H new ATOM 1908 N GLY A 123 -12.430 8.909 16.080 1.00 0.00 N ATOM 1909 CA GLY A 123 -11.826 10.133 16.642 1.00 0.00 C ATOM 1910 C GLY A 123 -12.340 11.469 16.091 1.00 0.00 C ATOM 1911 O GLY A 123 -12.495 12.412 16.867 1.00 0.00 O ATOM 0 H GLY A 123 -11.723 8.220 15.822 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -11.984 10.126 17.721 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -10.749 10.088 16.477 1.00 0.00 H new ATOM 1915 N LYS A 124 -12.630 11.556 14.786 1.00 0.00 N ATOM 1916 CA LYS A 124 -13.226 12.753 14.162 1.00 0.00 C ATOM 1917 C LYS A 124 -14.292 12.426 13.082 1.00 0.00 C ATOM 1918 O LYS A 124 -14.785 13.331 12.406 1.00 0.00 O ATOM 1919 CB LYS A 124 -12.056 13.650 13.681 1.00 0.00 C ATOM 1920 CG LYS A 124 -12.384 15.093 13.254 1.00 0.00 C ATOM 1921 CD LYS A 124 -13.115 15.904 14.335 1.00 0.00 C ATOM 1922 CE LYS A 124 -13.252 17.369 13.892 1.00 0.00 C ATOM 1923 NZ LYS A 124 -13.942 18.194 14.920 1.00 0.00 N ATOM 0 H LYS A 124 -12.458 10.796 14.127 1.00 0.00 H new ATOM 0 HA LYS A 124 -13.816 13.308 14.891 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -11.319 13.698 14.483 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -11.577 13.152 12.838 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -11.458 15.605 12.992 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -12.999 15.066 12.354 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -14.101 15.477 14.517 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -12.566 15.850 15.275 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -12.263 17.784 13.697 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -13.808 17.415 12.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -14.016 19.176 14.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -14.895 17.813 15.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -13.398 18.170 15.806 1.00 0.00 H new ATOM 1937 N SER A 125 -14.680 11.146 12.938 1.00 0.00 N ATOM 1938 CA SER A 125 -15.747 10.666 12.035 1.00 0.00 C ATOM 1939 C SER A 125 -17.122 11.255 12.392 1.00 0.00 C ATOM 1940 O SER A 125 -17.737 11.932 11.536 1.00 0.00 O ATOM 1941 CB SER A 125 -15.801 9.137 12.038 1.00 0.00 C ATOM 1942 OG SER A 125 -16.204 8.752 13.328 1.00 0.00 O ATOM 1943 OXT SER A 125 -17.585 11.004 13.531 1.00 0.00 O ATOM 0 H SER A 125 -14.245 10.389 13.465 1.00 0.00 H new ATOM 0 HA SER A 125 -15.501 11.012 11.031 1.00 0.00 H new ATOM 0 HB2 SER A 125 -16.503 8.773 11.288 1.00 0.00 H new ATOM 0 HB3 SER A 125 -14.826 8.714 11.794 1.00 0.00 H new ATOM 0 HG SER A 125 -16.674 9.496 13.760 1.00 0.00 H new TER 1949 SER A 125