USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 683 hydrogens (8 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 NoAdj-H: B 203 SEP H2 : B 203 SEP N : B 202 ILE C :(H bumps) USER MOD NoAdj-H: B 203 SEP H : B 203 SEP N : B 202 ILE C :(H bumps) USER MOD NoAdj-H: B 205 SEP H2 : B 205 SEP N : B 204 ASP C :(H bumps) USER MOD NoAdj-H: B 205 SEP H : B 205 SEP N : B 204 ASP C :(H bumps) USER MOD Set 1.1: A 89 GLN : amide:sc= -0.309 K(o=-1.6,f=-2.3) USER MOD Set 1.2: A 90 GLN : amide:sc= -1.3 K(o=-1.6,f=-3.6!) USER MOD Set 2.1: A 57 GLN : amide:sc= -0.797 K(o=-0.53,f=-5.8!) USER MOD Set 2.2: A 88 GLN : amide:sc= 0.264 K(o=-0.53,f=-6.2!) USER MOD Set 3.1: A 44 MET CE :methyl 175:sc= -0.918 (180deg=-0.97) USER MOD Set 3.2: A 55 MET CE :methyl 175:sc= 0 (180deg=-0.0166) USER MOD Set 4.1: A 47 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 51 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.17) USER MOD Set 5.1: A 19 ASN : amide:sc= 0.95 K(o=1.9,f=-2) USER MOD Set 5.2: A 31 GLN : amide:sc= 0.948 K(o=1.9,f=-1.4!) USER MOD Single : A 17 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-7.9!) USER MOD Single : A 21 LYS NZ :NH3+ 152:sc= 1.21 (180deg=1.15) USER MOD Single : A 25 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.62) USER MOD Single : A 28 SER OG : rot -88:sc= 1.19 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 38 THR OG1 : rot -160:sc= -1.18 USER MOD Single : A 41 SER OG : rot 180:sc= -0.124 USER MOD Single : A 42 LYS NZ :NH3+ 160:sc= 1.32 (180deg=1.08) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot -62:sc= 0.151 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0261 USER MOD Single : A 65 GLN : amide:sc=-0.00205 X(o=-0.002,f=-0.28) USER MOD Single : A 68 ASN : amide:sc= 0.936 K(o=0.94,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.171 USER MOD Single : A 75 GLN : amide:sc= -0.184 K(o=-0.18,f=-0.8) USER MOD Single : A 78 MET CE :methyl -109:sc= -1.13 (180deg=-2.21) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0468 USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD Single : B 199 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 10.536 15.447 0.348 1.00 10.00 N ATOM 2 CA ASP A 16 9.702 14.943 1.432 1.00 10.00 C ATOM 3 C ASP A 16 8.790 13.829 0.922 1.00 10.00 C ATOM 4 O ASP A 16 8.940 13.363 -0.209 1.00 10.00 O ATOM 5 CB ASP A 16 8.863 16.075 2.030 1.00 10.00 C ATOM 6 CG ASP A 16 8.636 15.909 3.520 1.00 10.00 C ATOM 7 OD1 ASP A 16 8.094 14.863 3.940 1.00 10.00 O ATOM 8 OD2 ASP A 16 8.995 16.827 4.283 1.00 10.00 O ATOM 0 HA ASP A 16 10.351 14.540 2.210 1.00 10.00 H new ATOM 0 HB2 ASP A 16 9.361 17.027 1.846 1.00 10.00 H new ATOM 0 HB3 ASP A 16 7.900 16.116 1.522 1.00 10.00 H new ATOM 13 N HIS A 17 7.854 13.406 1.752 1.00 10.00 N ATOM 14 CA HIS A 17 6.920 12.353 1.381 1.00 10.00 C ATOM 15 C HIS A 17 5.582 12.956 0.981 1.00 10.00 C ATOM 16 O HIS A 17 5.215 14.034 1.449 1.00 10.00 O ATOM 17 CB HIS A 17 6.700 11.381 2.544 1.00 10.00 C ATOM 18 CG HIS A 17 7.890 10.541 2.894 1.00 10.00 C ATOM 19 ND1 HIS A 17 8.853 10.993 3.770 1.00 10.00 N ATOM 20 CD2 HIS A 17 8.215 9.288 2.488 1.00 10.00 C ATOM 21 CE1 HIS A 17 9.732 10.010 3.879 1.00 10.00 C ATOM 22 NE2 HIS A 17 9.385 8.961 3.124 1.00 10.00 N ATOM 0 H HIS A 17 7.718 13.776 2.693 1.00 10.00 H new ATOM 0 HA HIS A 17 7.348 11.809 0.539 1.00 10.00 H new ATOM 0 HB2 HIS A 17 6.404 11.951 3.424 1.00 10.00 H new ATOM 0 HB3 HIS A 17 5.868 10.722 2.296 1.00 10.00 H new ATOM 0 HD2 HIS A 17 7.660 8.669 1.798 1.00 10.00 H new ATOM 0 HE1 HIS A 17 10.616 10.049 4.498 1.00 10.00 H new ATOM 0 HE2 HIS A 17 9.896 8.082 3.038 1.00 10.00 H new ATOM 30 N ILE A 18 4.862 12.262 0.121 1.00 10.00 N ATOM 31 CA ILE A 18 3.557 12.713 -0.318 1.00 10.00 C ATOM 32 C ILE A 18 2.492 11.861 0.368 1.00 10.00 C ATOM 33 O ILE A 18 2.516 10.629 0.288 1.00 10.00 O ATOM 34 CB ILE A 18 3.420 12.658 -1.863 1.00 10.00 C ATOM 35 CG1 ILE A 18 2.044 13.161 -2.309 1.00 10.00 C ATOM 36 CG2 ILE A 18 3.672 11.252 -2.393 1.00 10.00 C ATOM 37 CD1 ILE A 18 1.930 13.336 -3.808 1.00 10.00 C ATOM 0 H ILE A 18 5.162 11.378 -0.290 1.00 10.00 H new ATOM 0 HA ILE A 18 3.424 13.758 -0.037 1.00 10.00 H new ATOM 0 HB ILE A 18 4.180 13.317 -2.283 1.00 10.00 H new ATOM 0 HG12 ILE A 18 1.281 12.459 -1.973 1.00 10.00 H new ATOM 0 HG13 ILE A 18 1.837 14.114 -1.822 1.00 10.00 H new ATOM 0 HG21 ILE A 18 3.568 11.248 -3.478 1.00 10.00 H new ATOM 0 HG22 ILE A 18 4.680 10.937 -2.124 1.00 10.00 H new ATOM 0 HG23 ILE A 18 2.948 10.564 -1.957 1.00 10.00 H new ATOM 0 HD11 ILE A 18 0.931 13.694 -4.058 1.00 10.00 H new ATOM 0 HD12 ILE A 18 2.671 14.060 -4.147 1.00 10.00 H new ATOM 0 HD13 ILE A 18 2.106 12.380 -4.300 1.00 10.00 H new ATOM 49 N ASN A 19 1.582 12.509 1.077 1.00 10.00 N ATOM 50 CA ASN A 19 0.542 11.793 1.800 1.00 10.00 C ATOM 51 C ASN A 19 -0.696 11.609 0.940 1.00 10.00 C ATOM 52 O ASN A 19 -1.432 12.558 0.667 1.00 10.00 O ATOM 53 CB ASN A 19 0.179 12.522 3.098 1.00 10.00 C ATOM 54 CG ASN A 19 1.171 12.256 4.215 1.00 10.00 C ATOM 55 OD1 ASN A 19 1.034 11.288 4.968 1.00 10.00 O ATOM 56 ND2 ASN A 19 2.167 13.119 4.342 1.00 10.00 N ATOM 0 H ASN A 19 1.542 13.524 1.168 1.00 10.00 H new ATOM 0 HA ASN A 19 0.935 10.808 2.052 1.00 10.00 H new ATOM 0 HB2 ASN A 19 0.132 13.594 2.907 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -0.815 12.211 3.419 1.00 10.00 H new ATOM 0 HD21 ASN A 19 2.857 12.996 5.083 1.00 10.00 H new ATOM 0 HD22 ASN A 19 2.245 13.907 3.698 1.00 10.00 H new ATOM 63 N LEU A 20 -0.906 10.382 0.499 1.00 10.00 N ATOM 64 CA LEU A 20 -2.055 10.044 -0.321 1.00 10.00 C ATOM 65 C LEU A 20 -3.138 9.439 0.559 1.00 10.00 C ATOM 66 O LEU A 20 -2.863 9.003 1.677 1.00 10.00 O ATOM 67 CB LEU A 20 -1.649 9.069 -1.430 1.00 10.00 C ATOM 68 CG LEU A 20 -0.494 9.542 -2.317 1.00 10.00 C ATOM 69 CD1 LEU A 20 -0.073 8.442 -3.276 1.00 10.00 C ATOM 70 CD2 LEU A 20 -0.890 10.796 -3.084 1.00 10.00 C ATOM 0 H LEU A 20 -0.288 9.595 0.698 1.00 10.00 H new ATOM 0 HA LEU A 20 -2.443 10.947 -0.793 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -1.371 8.119 -0.974 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -2.517 8.878 -2.061 1.00 10.00 H new ATOM 0 HG LEU A 20 0.355 9.783 -1.677 1.00 10.00 H new ATOM 0 HD11 LEU A 20 0.749 8.797 -3.898 1.00 10.00 H new ATOM 0 HD12 LEU A 20 0.251 7.569 -2.709 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -0.917 8.170 -3.910 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -0.057 11.118 -3.709 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -1.754 10.580 -3.713 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -1.143 11.589 -2.380 1.00 10.00 H new ATOM 82 N LYS A 21 -4.364 9.412 0.069 1.00 10.00 N ATOM 83 CA LYS A 21 -5.466 8.876 0.853 1.00 10.00 C ATOM 84 C LYS A 21 -6.260 7.839 0.068 1.00 10.00 C ATOM 85 O LYS A 21 -6.474 7.980 -1.138 1.00 10.00 O ATOM 86 CB LYS A 21 -6.393 10.003 1.314 1.00 10.00 C ATOM 87 CG LYS A 21 -5.799 10.878 2.409 1.00 10.00 C ATOM 88 CD LYS A 21 -6.723 12.035 2.763 1.00 10.00 C ATOM 89 CE LYS A 21 -6.194 12.828 3.949 1.00 10.00 C ATOM 90 NZ LYS A 21 -7.084 13.966 4.301 1.00 10.00 N ATOM 0 H LYS A 21 -4.622 9.751 -0.858 1.00 10.00 H new ATOM 0 HA LYS A 21 -5.038 8.384 1.726 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -6.643 10.629 0.457 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -7.326 9.569 1.674 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -5.613 10.275 3.298 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -4.835 11.268 2.082 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -6.829 12.694 1.901 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -7.716 11.651 2.995 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -6.093 12.168 4.810 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -5.198 13.205 3.717 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -6.992 14.178 5.315 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -6.813 14.803 3.747 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -8.070 13.714 4.088 1.00 10.00 H new ATOM 104 N VAL A 22 -6.666 6.786 0.758 1.00 10.00 N ATOM 105 CA VAL A 22 -7.464 5.725 0.165 1.00 10.00 C ATOM 106 C VAL A 22 -8.845 5.725 0.806 1.00 10.00 C ATOM 107 O VAL A 22 -8.964 5.681 2.033 1.00 10.00 O ATOM 108 CB VAL A 22 -6.815 4.335 0.358 1.00 10.00 C ATOM 109 CG1 VAL A 22 -7.672 3.247 -0.269 1.00 10.00 C ATOM 110 CG2 VAL A 22 -5.413 4.308 -0.228 1.00 10.00 C ATOM 0 H VAL A 22 -6.452 6.642 1.745 1.00 10.00 H new ATOM 0 HA VAL A 22 -7.533 5.915 -0.906 1.00 10.00 H new ATOM 0 HB VAL A 22 -6.744 4.143 1.429 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -7.196 2.278 -0.121 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -8.656 3.243 0.200 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -7.780 3.439 -1.337 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -4.976 3.320 -0.081 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -5.460 4.529 -1.294 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -4.796 5.056 0.270 1.00 10.00 H new ATOM 120 N ALA A 23 -9.881 5.797 -0.016 1.00 10.00 N ATOM 121 CA ALA A 23 -11.243 5.814 0.483 1.00 10.00 C ATOM 122 C ALA A 23 -11.910 4.461 0.286 1.00 10.00 C ATOM 123 O ALA A 23 -12.219 4.067 -0.840 1.00 10.00 O ATOM 124 CB ALA A 23 -12.043 6.908 -0.207 1.00 10.00 C ATOM 0 H ALA A 23 -9.802 5.845 -1.032 1.00 10.00 H new ATOM 0 HA ALA A 23 -11.214 6.024 1.552 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -13.063 6.910 0.177 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -11.580 7.875 -0.012 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -12.060 6.724 -1.281 1.00 10.00 H new ATOM 130 N GLY A 24 -12.117 3.749 1.385 1.00 10.00 N ATOM 131 CA GLY A 24 -12.754 2.451 1.314 1.00 10.00 C ATOM 132 C GLY A 24 -14.241 2.569 1.047 1.00 10.00 C ATOM 133 O GLY A 24 -14.843 3.611 1.317 1.00 10.00 O ATOM 0 H GLY A 24 -11.855 4.048 2.324 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -12.289 1.860 0.525 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -12.594 1.916 2.250 1.00 10.00 H new ATOM 137 N GLN A 25 -14.839 1.503 0.532 1.00 10.00 N ATOM 138 CA GLN A 25 -16.269 1.500 0.222 1.00 10.00 C ATOM 139 C GLN A 25 -17.111 1.372 1.488 1.00 10.00 C ATOM 140 O GLN A 25 -18.339 1.434 1.437 1.00 10.00 O ATOM 141 CB GLN A 25 -16.602 0.371 -0.757 1.00 10.00 C ATOM 142 CG GLN A 25 -16.098 0.630 -2.170 1.00 10.00 C ATOM 143 CD GLN A 25 -16.739 1.850 -2.806 1.00 10.00 C ATOM 144 OE1 GLN A 25 -17.915 2.144 -2.575 1.00 10.00 O ATOM 145 NE2 GLN A 25 -15.971 2.580 -3.598 1.00 10.00 N ATOM 0 H GLN A 25 -14.360 0.628 0.319 1.00 10.00 H new ATOM 0 HA GLN A 25 -16.511 2.454 -0.246 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -16.169 -0.559 -0.389 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -17.683 0.230 -0.784 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -15.016 0.763 -2.147 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -16.298 -0.245 -2.789 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -15.003 2.305 -3.765 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -16.347 3.418 -4.042 1.00 10.00 H new ATOM 154 N ASP A 26 -16.446 1.189 2.619 1.00 10.00 N ATOM 155 CA ASP A 26 -17.132 1.073 3.900 1.00 10.00 C ATOM 156 C ASP A 26 -17.073 2.404 4.644 1.00 10.00 C ATOM 157 O ASP A 26 -17.973 2.744 5.411 1.00 10.00 O ATOM 158 CB ASP A 26 -16.502 -0.035 4.753 1.00 10.00 C ATOM 159 CG ASP A 26 -15.217 0.401 5.428 1.00 10.00 C ATOM 160 OD1 ASP A 26 -14.306 0.879 4.722 1.00 10.00 O ATOM 161 OD2 ASP A 26 -15.116 0.274 6.670 1.00 10.00 O ATOM 0 H ASP A 26 -15.430 1.117 2.677 1.00 10.00 H new ATOM 0 HA ASP A 26 -18.174 0.813 3.713 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -17.216 -0.353 5.513 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -16.300 -0.901 4.123 1.00 10.00 H new ATOM 166 N GLY A 27 -16.004 3.153 4.406 1.00 10.00 N ATOM 167 CA GLY A 27 -15.837 4.435 5.054 1.00 10.00 C ATOM 168 C GLY A 27 -14.461 4.600 5.671 1.00 10.00 C ATOM 169 O GLY A 27 -14.063 5.718 6.001 1.00 10.00 O ATOM 0 H GLY A 27 -15.248 2.892 3.773 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -16.003 5.230 4.327 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -16.595 4.548 5.829 1.00 10.00 H new ATOM 173 N SER A 28 -13.731 3.496 5.815 1.00 10.00 N ATOM 174 CA SER A 28 -12.394 3.535 6.403 1.00 10.00 C ATOM 175 C SER A 28 -11.452 4.395 5.565 1.00 10.00 C ATOM 176 O SER A 28 -11.470 4.347 4.330 1.00 10.00 O ATOM 177 CB SER A 28 -11.825 2.120 6.560 1.00 10.00 C ATOM 178 OG SER A 28 -11.873 1.392 5.343 1.00 10.00 O ATOM 0 H SER A 28 -14.042 2.566 5.534 1.00 10.00 H new ATOM 0 HA SER A 28 -12.479 3.985 7.392 1.00 10.00 H new ATOM 0 HB2 SER A 28 -10.793 2.180 6.907 1.00 10.00 H new ATOM 0 HB3 SER A 28 -12.388 1.585 7.325 1.00 10.00 H new ATOM 0 HG SER A 28 -12.734 0.930 5.272 1.00 10.00 H new ATOM 184 N VAL A 29 -10.654 5.202 6.243 1.00 10.00 N ATOM 185 CA VAL A 29 -9.702 6.074 5.579 1.00 10.00 C ATOM 186 C VAL A 29 -8.278 5.579 5.818 1.00 10.00 C ATOM 187 O VAL A 29 -7.875 5.333 6.958 1.00 10.00 O ATOM 188 CB VAL A 29 -9.847 7.542 6.058 1.00 10.00 C ATOM 189 CG1 VAL A 29 -9.740 7.646 7.573 1.00 10.00 C ATOM 190 CG2 VAL A 29 -8.817 8.440 5.386 1.00 10.00 C ATOM 0 H VAL A 29 -10.648 5.271 7.261 1.00 10.00 H new ATOM 0 HA VAL A 29 -9.915 6.049 4.510 1.00 10.00 H new ATOM 0 HB VAL A 29 -10.841 7.883 5.768 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -9.846 8.688 7.875 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -10.529 7.053 8.035 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -8.768 7.272 7.896 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -8.941 9.464 5.740 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -7.814 8.090 5.631 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -8.958 8.410 4.306 1.00 10.00 H new ATOM 200 N VAL A 30 -7.532 5.398 4.743 1.00 10.00 N ATOM 201 CA VAL A 30 -6.157 4.936 4.845 1.00 10.00 C ATOM 202 C VAL A 30 -5.217 5.977 4.256 1.00 10.00 C ATOM 203 O VAL A 30 -5.360 6.368 3.098 1.00 10.00 O ATOM 204 CB VAL A 30 -5.941 3.579 4.132 1.00 10.00 C ATOM 205 CG1 VAL A 30 -4.615 2.949 4.540 1.00 10.00 C ATOM 206 CG2 VAL A 30 -7.090 2.625 4.421 1.00 10.00 C ATOM 0 H VAL A 30 -7.854 5.563 3.789 1.00 10.00 H new ATOM 0 HA VAL A 30 -5.940 4.791 5.903 1.00 10.00 H new ATOM 0 HB VAL A 30 -5.912 3.771 3.059 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -4.490 1.997 4.024 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -3.797 3.617 4.272 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -4.608 2.781 5.617 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -6.915 1.679 3.909 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -7.156 2.450 5.495 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -8.024 3.062 4.067 1.00 10.00 H new ATOM 216 N GLN A 31 -4.278 6.439 5.064 1.00 10.00 N ATOM 217 CA GLN A 31 -3.312 7.433 4.627 1.00 10.00 C ATOM 218 C GLN A 31 -2.006 6.748 4.248 1.00 10.00 C ATOM 219 O GLN A 31 -1.394 6.054 5.066 1.00 10.00 O ATOM 220 CB GLN A 31 -3.081 8.472 5.728 1.00 10.00 C ATOM 221 CG GLN A 31 -2.192 9.631 5.303 1.00 10.00 C ATOM 222 CD GLN A 31 -2.451 10.893 6.105 1.00 10.00 C ATOM 223 OE1 GLN A 31 -3.573 11.146 6.546 1.00 10.00 O ATOM 224 NE2 GLN A 31 -1.418 11.695 6.298 1.00 10.00 N ATOM 0 H GLN A 31 -4.164 6.139 6.032 1.00 10.00 H new ATOM 0 HA GLN A 31 -3.703 7.951 3.751 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -4.045 8.865 6.051 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -2.632 7.980 6.591 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -1.147 9.342 5.415 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -2.353 9.838 4.245 1.00 10.00 H new ATOM 0 HE21 GLN A 31 -0.504 11.450 5.917 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -1.535 12.558 6.828 1.00 10.00 H new ATOM 233 N PHE A 32 -1.591 6.942 3.007 1.00 10.00 N ATOM 234 CA PHE A 32 -0.373 6.332 2.500 1.00 10.00 C ATOM 235 C PHE A 32 0.766 7.341 2.431 1.00 10.00 C ATOM 236 O PHE A 32 0.697 8.323 1.691 1.00 10.00 O ATOM 237 CB PHE A 32 -0.613 5.747 1.108 1.00 10.00 C ATOM 238 CG PHE A 32 -0.856 4.266 1.103 1.00 10.00 C ATOM 239 CD1 PHE A 32 -2.131 3.758 1.291 1.00 10.00 C ATOM 240 CD2 PHE A 32 0.191 3.380 0.902 1.00 10.00 C ATOM 241 CE1 PHE A 32 -2.358 2.395 1.274 1.00 10.00 C ATOM 242 CE2 PHE A 32 -0.030 2.016 0.886 1.00 10.00 C ATOM 243 CZ PHE A 32 -1.307 1.524 1.073 1.00 10.00 C ATOM 0 H PHE A 32 -2.084 7.522 2.328 1.00 10.00 H new ATOM 0 HA PHE A 32 -0.092 5.537 3.190 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -1.470 6.247 0.658 1.00 10.00 H new ATOM 0 HB3 PHE A 32 0.250 5.966 0.479 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -2.957 4.435 1.453 1.00 10.00 H new ATOM 0 HD2 PHE A 32 1.191 3.760 0.756 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -3.357 2.012 1.418 1.00 10.00 H new ATOM 0 HE2 PHE A 32 0.794 1.336 0.728 1.00 10.00 H new ATOM 0 HZ PHE A 32 -1.483 0.458 1.062 1.00 10.00 H new ATOM 253 N LYS A 33 1.804 7.093 3.212 1.00 10.00 N ATOM 254 CA LYS A 33 2.976 7.949 3.224 1.00 10.00 C ATOM 255 C LYS A 33 4.030 7.337 2.315 1.00 10.00 C ATOM 256 O LYS A 33 4.726 6.393 2.695 1.00 10.00 O ATOM 257 CB LYS A 33 3.524 8.117 4.646 1.00 10.00 C ATOM 258 CG LYS A 33 4.891 8.783 4.695 1.00 10.00 C ATOM 259 CD LYS A 33 5.492 8.740 6.089 1.00 10.00 C ATOM 260 CE LYS A 33 7.012 8.765 6.028 1.00 10.00 C ATOM 261 NZ LYS A 33 7.634 8.547 7.360 1.00 10.00 N ATOM 0 H LYS A 33 1.858 6.299 3.850 1.00 10.00 H new ATOM 0 HA LYS A 33 2.703 8.941 2.863 1.00 10.00 H new ATOM 0 HB2 LYS A 33 2.819 8.708 5.231 1.00 10.00 H new ATOM 0 HB3 LYS A 33 3.589 7.138 5.120 1.00 10.00 H new ATOM 0 HG2 LYS A 33 5.562 8.286 3.995 1.00 10.00 H new ATOM 0 HG3 LYS A 33 4.802 9.820 4.370 1.00 10.00 H new ATOM 0 HD2 LYS A 33 5.134 9.590 6.670 1.00 10.00 H new ATOM 0 HD3 LYS A 33 5.160 7.839 6.605 1.00 10.00 H new ATOM 0 HE2 LYS A 33 7.358 7.996 5.338 1.00 10.00 H new ATOM 0 HE3 LYS A 33 7.342 9.724 5.628 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 8.670 8.573 7.268 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 7.326 9.295 8.014 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 7.342 7.621 7.732 1.00 10.00 H new ATOM 275 N ILE A 34 4.103 7.839 1.092 1.00 10.00 N ATOM 276 CA ILE A 34 5.055 7.333 0.118 1.00 10.00 C ATOM 277 C ILE A 34 5.748 8.501 -0.581 1.00 10.00 C ATOM 278 O ILE A 34 5.388 9.653 -0.355 1.00 10.00 O ATOM 279 CB ILE A 34 4.357 6.394 -0.919 1.00 10.00 C ATOM 280 CG1 ILE A 34 4.125 7.094 -2.265 1.00 10.00 C ATOM 281 CG2 ILE A 34 3.028 5.877 -0.373 1.00 10.00 C ATOM 282 CD1 ILE A 34 3.401 6.237 -3.283 1.00 10.00 C ATOM 0 H ILE A 34 3.513 8.598 0.751 1.00 10.00 H new ATOM 0 HA ILE A 34 5.806 6.740 0.640 1.00 10.00 H new ATOM 0 HB ILE A 34 5.030 5.553 -1.087 1.00 10.00 H new ATOM 0 HG12 ILE A 34 3.550 8.005 -2.096 1.00 10.00 H new ATOM 0 HG13 ILE A 34 5.088 7.396 -2.677 1.00 10.00 H new ATOM 0 HG21 ILE A 34 2.560 5.226 -1.111 1.00 10.00 H new ATOM 0 HG22 ILE A 34 3.205 5.317 0.545 1.00 10.00 H new ATOM 0 HG23 ILE A 34 2.369 6.719 -0.162 1.00 10.00 H new ATOM 0 HD11 ILE A 34 3.274 6.800 -4.208 1.00 10.00 H new ATOM 0 HD12 ILE A 34 3.984 5.338 -3.482 1.00 10.00 H new ATOM 0 HD13 ILE A 34 2.423 5.956 -2.892 1.00 10.00 H new ATOM 294 N LYS A 35 6.756 8.221 -1.395 1.00 10.00 N ATOM 295 CA LYS A 35 7.455 9.279 -2.111 1.00 10.00 C ATOM 296 C LYS A 35 6.978 9.351 -3.556 1.00 10.00 C ATOM 297 O LYS A 35 6.410 8.393 -4.077 1.00 10.00 O ATOM 298 CB LYS A 35 8.964 9.061 -2.060 1.00 10.00 C ATOM 299 CG LYS A 35 9.575 9.431 -0.722 1.00 10.00 C ATOM 300 CD LYS A 35 11.069 9.167 -0.698 1.00 10.00 C ATOM 301 CE LYS A 35 11.657 9.459 0.671 1.00 10.00 C ATOM 302 NZ LYS A 35 12.881 8.660 0.928 1.00 10.00 N ATOM 0 H LYS A 35 7.106 7.280 -1.575 1.00 10.00 H new ATOM 0 HA LYS A 35 7.229 10.227 -1.623 1.00 10.00 H new ATOM 0 HB2 LYS A 35 9.181 8.015 -2.275 1.00 10.00 H new ATOM 0 HB3 LYS A 35 9.437 9.652 -2.844 1.00 10.00 H new ATOM 0 HG2 LYS A 35 9.388 10.485 -0.515 1.00 10.00 H new ATOM 0 HG3 LYS A 35 9.091 8.859 0.070 1.00 10.00 H new ATOM 0 HD2 LYS A 35 11.262 8.128 -0.965 1.00 10.00 H new ATOM 0 HD3 LYS A 35 11.562 9.786 -1.448 1.00 10.00 H new ATOM 0 HE2 LYS A 35 11.894 10.520 0.746 1.00 10.00 H new ATOM 0 HE3 LYS A 35 10.914 9.243 1.439 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 13.252 8.888 1.872 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 12.650 7.647 0.882 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 13.599 8.885 0.210 1.00 10.00 H new ATOM 316 N ARG A 36 7.221 10.479 -4.205 1.00 10.00 N ATOM 317 CA ARG A 36 6.799 10.677 -5.586 1.00 10.00 C ATOM 318 C ARG A 36 7.530 9.741 -6.549 1.00 10.00 C ATOM 319 O ARG A 36 7.012 9.423 -7.621 1.00 10.00 O ATOM 320 CB ARG A 36 6.998 12.133 -6.003 1.00 10.00 C ATOM 321 CG ARG A 36 5.710 12.938 -5.987 1.00 10.00 C ATOM 322 CD ARG A 36 5.915 14.329 -6.558 1.00 10.00 C ATOM 323 NE ARG A 36 4.647 15.020 -6.785 1.00 10.00 N ATOM 324 CZ ARG A 36 4.163 15.980 -5.994 1.00 10.00 C ATOM 325 NH1 ARG A 36 4.838 16.376 -4.920 1.00 10.00 N ATOM 326 NH2 ARG A 36 2.987 16.528 -6.263 1.00 10.00 N ATOM 0 H ARG A 36 7.710 11.275 -3.797 1.00 10.00 H new ATOM 0 HA ARG A 36 5.738 10.435 -5.639 1.00 10.00 H new ATOM 0 HB2 ARG A 36 7.720 12.601 -5.334 1.00 10.00 H new ATOM 0 HB3 ARG A 36 7.426 12.163 -7.005 1.00 10.00 H new ATOM 0 HG2 ARG A 36 4.947 12.416 -6.564 1.00 10.00 H new ATOM 0 HG3 ARG A 36 5.340 13.014 -4.964 1.00 10.00 H new ATOM 0 HD2 ARG A 36 6.530 14.915 -5.874 1.00 10.00 H new ATOM 0 HD3 ARG A 36 6.463 14.258 -7.498 1.00 10.00 H new ATOM 0 HE ARG A 36 4.097 14.751 -7.601 1.00 10.00 H new ATOM 0 HH11 ARG A 36 5.735 15.946 -4.694 1.00 10.00 H new ATOM 0 HH12 ARG A 36 4.460 17.110 -4.322 1.00 10.00 H new ATOM 0 HH21 ARG A 36 2.453 16.216 -7.074 1.00 10.00 H new ATOM 0 HH22 ARG A 36 2.616 17.262 -5.659 1.00 10.00 H new ATOM 340 N HIS A 37 8.730 9.309 -6.172 1.00 10.00 N ATOM 341 CA HIS A 37 9.504 8.393 -7.007 1.00 10.00 C ATOM 342 C HIS A 37 9.120 6.949 -6.695 1.00 10.00 C ATOM 343 O HIS A 37 9.475 6.021 -7.423 1.00 10.00 O ATOM 344 CB HIS A 37 11.017 8.606 -6.799 1.00 10.00 C ATOM 345 CG HIS A 37 11.630 7.786 -5.689 1.00 10.00 C ATOM 346 ND1 HIS A 37 12.258 6.586 -5.946 1.00 10.00 N ATOM 347 CD2 HIS A 37 11.674 8.028 -4.354 1.00 10.00 C ATOM 348 CE1 HIS A 37 12.669 6.130 -4.773 1.00 10.00 C ATOM 349 NE2 HIS A 37 12.338 6.970 -3.784 1.00 10.00 N ATOM 0 H HIS A 37 9.186 9.576 -5.300 1.00 10.00 H new ATOM 0 HA HIS A 37 9.275 8.601 -8.052 1.00 10.00 H new ATOM 0 HB2 HIS A 37 11.533 8.373 -7.730 1.00 10.00 H new ATOM 0 HB3 HIS A 37 11.195 9.661 -6.592 1.00 10.00 H new ATOM 0 HD2 HIS A 37 11.266 8.886 -3.840 1.00 10.00 H new ATOM 0 HE1 HIS A 37 13.202 5.201 -4.632 1.00 10.00 H new ATOM 0 HE2 HIS A 37 12.541 6.847 -2.792 1.00 10.00 H new ATOM 357 N THR A 38 8.381 6.785 -5.609 1.00 10.00 N ATOM 358 CA THR A 38 7.945 5.478 -5.152 1.00 10.00 C ATOM 359 C THR A 38 6.797 4.941 -6.003 1.00 10.00 C ATOM 360 O THR A 38 5.759 5.589 -6.135 1.00 10.00 O ATOM 361 CB THR A 38 7.509 5.558 -3.678 1.00 10.00 C ATOM 362 OG1 THR A 38 8.619 5.971 -2.874 1.00 10.00 O ATOM 363 CG2 THR A 38 6.979 4.225 -3.175 1.00 10.00 C ATOM 0 H THR A 38 8.067 7.556 -5.020 1.00 10.00 H new ATOM 0 HA THR A 38 8.786 4.791 -5.250 1.00 10.00 H new ATOM 0 HB THR A 38 6.701 6.286 -3.604 1.00 10.00 H new ATOM 0 HG1 THR A 38 8.456 5.724 -1.940 1.00 10.00 H new ATOM 0 HG21 THR A 38 6.682 4.322 -2.131 1.00 10.00 H new ATOM 0 HG22 THR A 38 6.117 3.928 -3.772 1.00 10.00 H new ATOM 0 HG23 THR A 38 7.758 3.468 -3.261 1.00 10.00 H new ATOM 371 N PRO A 39 6.987 3.760 -6.616 1.00 10.00 N ATOM 372 CA PRO A 39 5.963 3.120 -7.448 1.00 10.00 C ATOM 373 C PRO A 39 4.674 2.857 -6.676 1.00 10.00 C ATOM 374 O PRO A 39 4.704 2.468 -5.507 1.00 10.00 O ATOM 375 CB PRO A 39 6.606 1.793 -7.861 1.00 10.00 C ATOM 376 CG PRO A 39 8.067 1.994 -7.693 1.00 10.00 C ATOM 377 CD PRO A 39 8.224 2.964 -6.560 1.00 10.00 C ATOM 0 HA PRO A 39 5.677 3.751 -8.290 1.00 10.00 H new ATOM 0 HB2 PRO A 39 6.248 0.973 -7.239 1.00 10.00 H new ATOM 0 HB3 PRO A 39 6.360 1.541 -8.893 1.00 10.00 H new ATOM 0 HG2 PRO A 39 8.567 1.051 -7.472 1.00 10.00 H new ATOM 0 HG3 PRO A 39 8.514 2.386 -8.607 1.00 10.00 H new ATOM 0 HD2 PRO A 39 8.328 2.451 -5.604 1.00 10.00 H new ATOM 0 HD3 PRO A 39 9.109 3.588 -6.685 1.00 10.00 H new ATOM 385 N LEU A 40 3.541 3.056 -7.339 1.00 10.00 N ATOM 386 CA LEU A 40 2.241 2.838 -6.715 1.00 10.00 C ATOM 387 C LEU A 40 1.926 1.346 -6.633 1.00 10.00 C ATOM 388 O LEU A 40 0.933 0.941 -6.025 1.00 10.00 O ATOM 389 CB LEU A 40 1.150 3.569 -7.502 1.00 10.00 C ATOM 390 CG LEU A 40 1.258 5.092 -7.503 1.00 10.00 C ATOM 391 CD1 LEU A 40 0.493 5.671 -8.680 1.00 10.00 C ATOM 392 CD2 LEU A 40 0.735 5.664 -6.197 1.00 10.00 C ATOM 0 H LEU A 40 3.496 3.368 -8.309 1.00 10.00 H new ATOM 0 HA LEU A 40 2.272 3.238 -5.701 1.00 10.00 H new ATOM 0 HB2 LEU A 40 1.172 3.219 -8.534 1.00 10.00 H new ATOM 0 HB3 LEU A 40 0.180 3.290 -7.092 1.00 10.00 H new ATOM 0 HG LEU A 40 2.308 5.366 -7.601 1.00 10.00 H new ATOM 0 HD11 LEU A 40 0.578 6.758 -8.670 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.909 5.283 -9.610 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.557 5.388 -8.606 1.00 10.00 H new ATOM 0 HD21 LEU A 40 0.820 6.751 -6.216 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -0.311 5.384 -6.070 1.00 10.00 H new ATOM 0 HD23 LEU A 40 1.320 5.269 -5.367 1.00 10.00 H new ATOM 404 N SER A 41 2.785 0.532 -7.238 1.00 10.00 N ATOM 405 CA SER A 41 2.612 -0.912 -7.230 1.00 10.00 C ATOM 406 C SER A 41 2.661 -1.451 -5.805 1.00 10.00 C ATOM 407 O SER A 41 1.849 -2.296 -5.422 1.00 10.00 O ATOM 408 CB SER A 41 3.688 -1.572 -8.094 1.00 10.00 C ATOM 409 OG SER A 41 4.846 -0.757 -8.165 1.00 10.00 O ATOM 0 H SER A 41 3.612 0.853 -7.742 1.00 10.00 H new ATOM 0 HA SER A 41 1.634 -1.150 -7.647 1.00 10.00 H new ATOM 0 HB2 SER A 41 3.948 -2.546 -7.679 1.00 10.00 H new ATOM 0 HB3 SER A 41 3.299 -1.747 -9.097 1.00 10.00 H new ATOM 0 HG SER A 41 5.523 -1.198 -8.720 1.00 10.00 H new ATOM 415 N LYS A 42 3.600 -0.940 -5.009 1.00 10.00 N ATOM 416 CA LYS A 42 3.726 -1.374 -3.624 1.00 10.00 C ATOM 417 C LYS A 42 2.536 -0.876 -2.810 1.00 10.00 C ATOM 418 O LYS A 42 2.155 -1.497 -1.824 1.00 10.00 O ATOM 419 CB LYS A 42 5.041 -0.901 -2.981 1.00 10.00 C ATOM 420 CG LYS A 42 5.876 0.033 -3.845 1.00 10.00 C ATOM 421 CD LYS A 42 6.990 0.698 -3.041 1.00 10.00 C ATOM 422 CE LYS A 42 8.014 -0.312 -2.528 1.00 10.00 C ATOM 423 NZ LYS A 42 8.899 -0.814 -3.614 1.00 10.00 N ATOM 0 H LYS A 42 4.276 -0.233 -5.298 1.00 10.00 H new ATOM 0 HA LYS A 42 3.740 -2.464 -3.625 1.00 10.00 H new ATOM 0 HB2 LYS A 42 4.809 -0.395 -2.044 1.00 10.00 H new ATOM 0 HB3 LYS A 42 5.642 -1.776 -2.731 1.00 10.00 H new ATOM 0 HG2 LYS A 42 6.309 -0.527 -4.673 1.00 10.00 H new ATOM 0 HG3 LYS A 42 5.234 0.799 -4.280 1.00 10.00 H new ATOM 0 HD2 LYS A 42 7.493 1.438 -3.664 1.00 10.00 H new ATOM 0 HD3 LYS A 42 6.556 1.234 -2.197 1.00 10.00 H new ATOM 0 HE2 LYS A 42 8.622 0.152 -1.751 1.00 10.00 H new ATOM 0 HE3 LYS A 42 7.494 -1.152 -2.067 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 9.765 -1.213 -3.199 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 8.402 -1.551 -4.154 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 9.149 -0.029 -4.249 1.00 10.00 H new ATOM 437 N LEU A 43 1.943 0.237 -3.242 1.00 10.00 N ATOM 438 CA LEU A 43 0.784 0.807 -2.561 1.00 10.00 C ATOM 439 C LEU A 43 -0.398 -0.146 -2.677 1.00 10.00 C ATOM 440 O LEU A 43 -1.069 -0.448 -1.688 1.00 10.00 O ATOM 441 CB LEU A 43 0.434 2.177 -3.166 1.00 10.00 C ATOM 442 CG LEU A 43 -0.572 3.025 -2.378 1.00 10.00 C ATOM 443 CD1 LEU A 43 -0.323 4.505 -2.618 1.00 10.00 C ATOM 444 CD2 LEU A 43 -2.004 2.675 -2.760 1.00 10.00 C ATOM 0 H LEU A 43 2.248 0.761 -4.062 1.00 10.00 H new ATOM 0 HA LEU A 43 1.021 0.948 -1.506 1.00 10.00 H new ATOM 0 HB2 LEU A 43 1.355 2.750 -3.274 1.00 10.00 H new ATOM 0 HB3 LEU A 43 0.038 2.018 -4.169 1.00 10.00 H new ATOM 0 HG LEU A 43 -0.434 2.806 -1.319 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -1.046 5.092 -2.051 1.00 10.00 H new ATOM 0 HD12 LEU A 43 0.686 4.761 -2.295 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -0.430 4.724 -3.680 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -2.695 3.292 -2.185 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -2.152 2.859 -3.824 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -2.191 1.623 -2.544 1.00 10.00 H new ATOM 456 N MET A 44 -0.626 -0.633 -3.889 1.00 10.00 N ATOM 457 CA MET A 44 -1.719 -1.561 -4.152 1.00 10.00 C ATOM 458 C MET A 44 -1.521 -2.855 -3.377 1.00 10.00 C ATOM 459 O MET A 44 -2.455 -3.371 -2.764 1.00 10.00 O ATOM 460 CB MET A 44 -1.817 -1.865 -5.647 1.00 10.00 C ATOM 461 CG MET A 44 -2.125 -0.644 -6.496 1.00 10.00 C ATOM 462 SD MET A 44 -2.536 -1.062 -8.204 1.00 10.00 S ATOM 463 CE MET A 44 -0.993 -1.779 -8.764 1.00 10.00 C ATOM 0 H MET A 44 -0.066 -0.400 -4.709 1.00 10.00 H new ATOM 0 HA MET A 44 -2.647 -1.092 -3.824 1.00 10.00 H new ATOM 0 HB2 MET A 44 -0.877 -2.303 -5.983 1.00 10.00 H new ATOM 0 HB3 MET A 44 -2.593 -2.614 -5.807 1.00 10.00 H new ATOM 0 HG2 MET A 44 -2.957 -0.098 -6.051 1.00 10.00 H new ATOM 0 HG3 MET A 44 -1.264 0.025 -6.488 1.00 10.00 H new ATOM 0 HE1 MET A 44 -1.118 -2.167 -9.775 1.00 10.00 H new ATOM 0 HE2 MET A 44 -0.215 -1.016 -8.761 1.00 10.00 H new ATOM 0 HE3 MET A 44 -0.706 -2.592 -8.097 1.00 10.00 H new ATOM 473 N LYS A 45 -0.295 -3.363 -3.390 1.00 10.00 N ATOM 474 CA LYS A 45 0.024 -4.604 -2.695 1.00 10.00 C ATOM 475 C LYS A 45 -0.075 -4.434 -1.179 1.00 10.00 C ATOM 476 O LYS A 45 -0.675 -5.262 -0.502 1.00 10.00 O ATOM 477 CB LYS A 45 1.427 -5.091 -3.070 1.00 10.00 C ATOM 478 CG LYS A 45 1.628 -5.305 -4.562 1.00 10.00 C ATOM 479 CD LYS A 45 2.968 -5.960 -4.851 1.00 10.00 C ATOM 480 CE LYS A 45 3.522 -5.530 -6.198 1.00 10.00 C ATOM 481 NZ LYS A 45 4.755 -6.281 -6.559 1.00 10.00 N ATOM 0 H LYS A 45 0.494 -2.935 -3.874 1.00 10.00 H new ATOM 0 HA LYS A 45 -0.707 -5.349 -3.007 1.00 10.00 H new ATOM 0 HB2 LYS A 45 2.159 -4.366 -2.715 1.00 10.00 H new ATOM 0 HB3 LYS A 45 1.627 -6.027 -2.549 1.00 10.00 H new ATOM 0 HG2 LYS A 45 0.824 -5.929 -4.953 1.00 10.00 H new ATOM 0 HG3 LYS A 45 1.570 -4.348 -5.080 1.00 10.00 H new ATOM 0 HD2 LYS A 45 3.678 -5.700 -4.065 1.00 10.00 H new ATOM 0 HD3 LYS A 45 2.855 -7.044 -4.833 1.00 10.00 H new ATOM 0 HE2 LYS A 45 2.765 -5.684 -6.967 1.00 10.00 H new ATOM 0 HE3 LYS A 45 3.741 -4.462 -6.176 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 5.100 -5.957 -7.485 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 5.487 -6.114 -5.839 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 4.541 -7.298 -6.606 1.00 10.00 H new ATOM 495 N ALA A 46 0.500 -3.352 -0.655 1.00 10.00 N ATOM 496 CA ALA A 46 0.489 -3.087 0.783 1.00 10.00 C ATOM 497 C ALA A 46 -0.929 -3.087 1.343 1.00 10.00 C ATOM 498 O ALA A 46 -1.200 -3.712 2.371 1.00 10.00 O ATOM 499 CB ALA A 46 1.168 -1.761 1.087 1.00 10.00 C ATOM 0 H ALA A 46 0.981 -2.642 -1.208 1.00 10.00 H new ATOM 0 HA ALA A 46 1.043 -3.891 1.267 1.00 10.00 H new ATOM 0 HB1 ALA A 46 1.150 -1.581 2.162 1.00 10.00 H new ATOM 0 HB2 ALA A 46 2.201 -1.794 0.742 1.00 10.00 H new ATOM 0 HB3 ALA A 46 0.640 -0.956 0.576 1.00 10.00 H new ATOM 505 N TYR A 47 -1.831 -2.391 0.666 1.00 10.00 N ATOM 506 CA TYR A 47 -3.216 -2.327 1.107 1.00 10.00 C ATOM 507 C TYR A 47 -3.894 -3.681 0.923 1.00 10.00 C ATOM 508 O TYR A 47 -4.650 -4.127 1.786 1.00 10.00 O ATOM 509 CB TYR A 47 -3.974 -1.238 0.340 1.00 10.00 C ATOM 510 CG TYR A 47 -5.441 -1.143 0.701 1.00 10.00 C ATOM 511 CD1 TYR A 47 -6.425 -1.399 -0.247 1.00 10.00 C ATOM 512 CD2 TYR A 47 -5.843 -0.799 1.987 1.00 10.00 C ATOM 513 CE1 TYR A 47 -7.765 -1.318 0.077 1.00 10.00 C ATOM 514 CE2 TYR A 47 -7.182 -0.717 2.317 1.00 10.00 C ATOM 515 CZ TYR A 47 -8.138 -0.974 1.357 1.00 10.00 C ATOM 516 OH TYR A 47 -9.473 -0.891 1.682 1.00 10.00 O ATOM 0 H TYR A 47 -1.630 -1.866 -0.185 1.00 10.00 H new ATOM 0 HA TYR A 47 -3.231 -2.073 2.167 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -3.500 -0.275 0.531 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -3.885 -1.431 -0.729 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -6.137 -1.666 -1.253 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -5.097 -0.593 2.740 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -8.517 -1.524 -0.670 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -7.478 -0.453 3.321 1.00 10.00 H new ATOM 0 HH TYR A 47 -9.565 -0.638 2.624 1.00 10.00 H new ATOM 526 N CYS A 48 -3.594 -4.341 -0.191 1.00 10.00 N ATOM 527 CA CYS A 48 -4.173 -5.643 -0.496 1.00 10.00 C ATOM 528 C CYS A 48 -3.769 -6.679 0.551 1.00 10.00 C ATOM 529 O CYS A 48 -4.581 -7.518 0.949 1.00 10.00 O ATOM 530 CB CYS A 48 -3.733 -6.102 -1.887 1.00 10.00 C ATOM 531 SG CYS A 48 -4.884 -7.241 -2.684 1.00 10.00 S ATOM 0 H CYS A 48 -2.950 -3.992 -0.901 1.00 10.00 H new ATOM 0 HA CYS A 48 -5.259 -5.546 -0.479 1.00 10.00 H new ATOM 0 HB2 CYS A 48 -3.605 -5.226 -2.524 1.00 10.00 H new ATOM 0 HB3 CYS A 48 -2.758 -6.583 -1.808 1.00 10.00 H new ATOM 0 HG CYS A 48 -4.985 -8.325 -1.973 1.00 10.00 H new ATOM 537 N GLU A 49 -2.521 -6.608 1.007 1.00 10.00 N ATOM 538 CA GLU A 49 -2.017 -7.530 2.019 1.00 10.00 C ATOM 539 C GLU A 49 -2.802 -7.384 3.319 1.00 10.00 C ATOM 540 O GLU A 49 -3.046 -8.364 4.025 1.00 10.00 O ATOM 541 CB GLU A 49 -0.528 -7.280 2.281 1.00 10.00 C ATOM 542 CG GLU A 49 0.380 -7.690 1.130 1.00 10.00 C ATOM 543 CD GLU A 49 0.156 -9.122 0.691 1.00 10.00 C ATOM 544 OE1 GLU A 49 0.104 -10.012 1.562 1.00 10.00 O ATOM 545 OE2 GLU A 49 0.040 -9.365 -0.529 1.00 10.00 O ATOM 0 H GLU A 49 -1.839 -5.919 0.690 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.144 -8.545 1.644 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -0.379 -6.220 2.488 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -0.231 -7.825 3.177 1.00 10.00 H new ATOM 0 HG2 GLU A 49 0.211 -7.024 0.284 1.00 10.00 H new ATOM 0 HG3 GLU A 49 1.420 -7.565 1.431 1.00 10.00 H new ATOM 552 N ARG A 50 -3.204 -6.154 3.623 1.00 10.00 N ATOM 553 CA ARG A 50 -3.966 -5.876 4.836 1.00 10.00 C ATOM 554 C ARG A 50 -5.401 -6.373 4.695 1.00 10.00 C ATOM 555 O ARG A 50 -6.075 -6.646 5.687 1.00 10.00 O ATOM 556 CB ARG A 50 -3.950 -4.382 5.160 1.00 10.00 C ATOM 557 CG ARG A 50 -2.611 -3.891 5.693 1.00 10.00 C ATOM 558 CD ARG A 50 -2.769 -2.615 6.501 1.00 10.00 C ATOM 559 NE ARG A 50 -1.484 -2.080 6.945 1.00 10.00 N ATOM 560 CZ ARG A 50 -1.357 -1.131 7.876 1.00 10.00 C ATOM 561 NH1 ARG A 50 -2.433 -0.621 8.462 1.00 10.00 N ATOM 562 NH2 ARG A 50 -0.160 -0.687 8.222 1.00 10.00 N ATOM 0 H ARG A 50 -3.015 -5.334 3.047 1.00 10.00 H new ATOM 0 HA ARG A 50 -3.493 -6.410 5.660 1.00 10.00 H new ATOM 0 HB2 ARG A 50 -4.202 -3.820 4.260 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -4.725 -4.170 5.896 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -2.160 -4.664 6.316 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -1.929 -3.714 4.861 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -3.283 -1.867 5.898 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -3.398 -2.812 7.369 1.00 10.00 H new ATOM 0 HE ARG A 50 -0.635 -2.453 6.519 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -3.361 -0.954 8.202 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -2.332 0.104 9.173 1.00 10.00 H new ATOM 0 HH21 ARG A 50 0.674 -1.070 7.777 1.00 10.00 H new ATOM 0 HH22 ARG A 50 -0.071 0.038 8.934 1.00 10.00 H new ATOM 576 N GLN A 51 -5.857 -6.490 3.458 1.00 10.00 N ATOM 577 CA GLN A 51 -7.202 -6.977 3.186 1.00 10.00 C ATOM 578 C GLN A 51 -7.211 -8.499 3.244 1.00 10.00 C ATOM 579 O GLN A 51 -8.219 -9.115 3.598 1.00 10.00 O ATOM 580 CB GLN A 51 -7.689 -6.505 1.815 1.00 10.00 C ATOM 581 CG GLN A 51 -7.709 -4.994 1.652 1.00 10.00 C ATOM 582 CD GLN A 51 -8.516 -4.295 2.725 1.00 10.00 C ATOM 583 OE1 GLN A 51 -7.995 -3.940 3.780 1.00 10.00 O ATOM 584 NE2 GLN A 51 -9.793 -4.089 2.461 1.00 10.00 N ATOM 0 H GLN A 51 -5.316 -6.255 2.626 1.00 10.00 H new ATOM 0 HA GLN A 51 -7.877 -6.576 3.942 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -7.048 -6.935 1.045 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -8.694 -6.892 1.645 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -6.686 -4.618 1.672 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -8.121 -4.745 0.674 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -10.187 -4.399 1.573 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -10.386 -3.619 3.145 1.00 10.00 H new ATOM 593 N GLY A 52 -6.075 -9.091 2.887 1.00 10.00 N ATOM 594 CA GLY A 52 -5.939 -10.533 2.909 1.00 10.00 C ATOM 595 C GLY A 52 -6.472 -11.187 1.651 1.00 10.00 C ATOM 596 O GLY A 52 -6.958 -12.317 1.692 1.00 10.00 O ATOM 0 H GLY A 52 -5.241 -8.591 2.581 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -4.888 -10.793 3.032 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -6.469 -10.931 3.774 1.00 10.00 H new ATOM 600 N LEU A 53 -6.370 -10.490 0.529 1.00 10.00 N ATOM 601 CA LEU A 53 -6.863 -11.014 -0.741 1.00 10.00 C ATOM 602 C LEU A 53 -5.863 -10.768 -1.867 1.00 10.00 C ATOM 603 O LEU A 53 -4.872 -10.055 -1.690 1.00 10.00 O ATOM 604 CB LEU A 53 -8.210 -10.374 -1.092 1.00 10.00 C ATOM 605 CG LEU A 53 -9.365 -10.736 -0.159 1.00 10.00 C ATOM 606 CD1 LEU A 53 -10.453 -9.683 -0.236 1.00 10.00 C ATOM 607 CD2 LEU A 53 -9.925 -12.106 -0.511 1.00 10.00 C ATOM 0 H LEU A 53 -5.952 -9.562 0.470 1.00 10.00 H new ATOM 0 HA LEU A 53 -6.994 -12.090 -0.630 1.00 10.00 H new ATOM 0 HB2 LEU A 53 -8.090 -9.291 -1.092 1.00 10.00 H new ATOM 0 HB3 LEU A 53 -8.479 -10.665 -2.107 1.00 10.00 H new ATOM 0 HG LEU A 53 -8.987 -10.771 0.863 1.00 10.00 H new ATOM 0 HD11 LEU A 53 -11.269 -9.954 0.434 1.00 10.00 H new ATOM 0 HD12 LEU A 53 -10.046 -8.717 0.061 1.00 10.00 H new ATOM 0 HD13 LEU A 53 -10.827 -9.621 -1.258 1.00 10.00 H new ATOM 0 HD21 LEU A 53 -10.747 -12.348 0.163 1.00 10.00 H new ATOM 0 HD22 LEU A 53 -10.289 -12.097 -1.538 1.00 10.00 H new ATOM 0 HD23 LEU A 53 -9.141 -12.856 -0.411 1.00 10.00 H new ATOM 619 N SER A 54 -6.137 -11.361 -3.020 1.00 10.00 N ATOM 620 CA SER A 54 -5.284 -11.218 -4.190 1.00 10.00 C ATOM 621 C SER A 54 -5.495 -9.851 -4.834 1.00 10.00 C ATOM 622 O SER A 54 -6.616 -9.335 -4.862 1.00 10.00 O ATOM 623 CB SER A 54 -5.602 -12.333 -5.195 1.00 10.00 C ATOM 624 OG SER A 54 -4.832 -12.213 -6.382 1.00 10.00 O ATOM 0 H SER A 54 -6.954 -11.953 -3.170 1.00 10.00 H new ATOM 0 HA SER A 54 -4.241 -11.297 -3.884 1.00 10.00 H new ATOM 0 HB2 SER A 54 -5.410 -13.302 -4.734 1.00 10.00 H new ATOM 0 HB3 SER A 54 -6.662 -12.304 -5.446 1.00 10.00 H new ATOM 0 HG SER A 54 -5.062 -12.942 -6.996 1.00 10.00 H new ATOM 630 N MET A 55 -4.422 -9.271 -5.361 1.00 10.00 N ATOM 631 CA MET A 55 -4.497 -7.961 -6.001 1.00 10.00 C ATOM 632 C MET A 55 -5.269 -8.046 -7.313 1.00 10.00 C ATOM 633 O MET A 55 -5.625 -7.030 -7.911 1.00 10.00 O ATOM 634 CB MET A 55 -3.096 -7.403 -6.258 1.00 10.00 C ATOM 635 CG MET A 55 -3.046 -5.883 -6.289 1.00 10.00 C ATOM 636 SD MET A 55 -1.699 -5.247 -7.306 1.00 10.00 S ATOM 637 CE MET A 55 -2.388 -5.464 -8.947 1.00 10.00 C ATOM 0 H MET A 55 -3.490 -9.686 -5.358 1.00 10.00 H new ATOM 0 HA MET A 55 -5.025 -7.288 -5.325 1.00 10.00 H new ATOM 0 HB2 MET A 55 -2.421 -7.765 -5.483 1.00 10.00 H new ATOM 0 HB3 MET A 55 -2.728 -7.790 -7.208 1.00 10.00 H new ATOM 0 HG2 MET A 55 -3.993 -5.501 -6.669 1.00 10.00 H new ATOM 0 HG3 MET A 55 -2.936 -5.507 -5.272 1.00 10.00 H new ATOM 0 HE1 MET A 55 -1.711 -5.035 -9.686 1.00 10.00 H new ATOM 0 HE2 MET A 55 -2.519 -6.527 -9.149 1.00 10.00 H new ATOM 0 HE3 MET A 55 -3.354 -4.962 -9.005 1.00 10.00 H new ATOM 647 N ARG A 56 -5.533 -9.270 -7.752 1.00 10.00 N ATOM 648 CA ARG A 56 -6.266 -9.499 -8.984 1.00 10.00 C ATOM 649 C ARG A 56 -7.771 -9.441 -8.737 1.00 10.00 C ATOM 650 O ARG A 56 -8.562 -9.420 -9.678 1.00 10.00 O ATOM 651 CB ARG A 56 -5.888 -10.856 -9.584 1.00 10.00 C ATOM 652 CG ARG A 56 -6.090 -10.937 -11.090 1.00 10.00 C ATOM 653 CD ARG A 56 -5.773 -12.323 -11.620 1.00 10.00 C ATOM 654 NE ARG A 56 -5.547 -12.315 -13.061 1.00 10.00 N ATOM 655 CZ ARG A 56 -5.046 -13.344 -13.742 1.00 10.00 C ATOM 656 NH1 ARG A 56 -4.719 -14.465 -13.115 1.00 10.00 N ATOM 657 NH2 ARG A 56 -4.856 -13.248 -15.049 1.00 10.00 N ATOM 0 H ARG A 56 -5.247 -10.121 -7.268 1.00 10.00 H new ATOM 0 HA ARG A 56 -5.999 -8.712 -9.689 1.00 10.00 H new ATOM 0 HB2 ARG A 56 -4.843 -11.066 -9.355 1.00 10.00 H new ATOM 0 HB3 ARG A 56 -6.482 -11.634 -9.104 1.00 10.00 H new ATOM 0 HG2 ARG A 56 -7.121 -10.680 -11.334 1.00 10.00 H new ATOM 0 HG3 ARG A 56 -5.453 -10.203 -11.584 1.00 10.00 H new ATOM 0 HD2 ARG A 56 -4.888 -12.711 -11.116 1.00 10.00 H new ATOM 0 HD3 ARG A 56 -6.596 -12.999 -11.385 1.00 10.00 H new ATOM 0 HE ARG A 56 -5.787 -11.470 -13.579 1.00 10.00 H new ATOM 0 HH11 ARG A 56 -4.851 -14.542 -12.107 1.00 10.00 H new ATOM 0 HH12 ARG A 56 -4.336 -15.250 -13.641 1.00 10.00 H new ATOM 0 HH21 ARG A 56 -5.094 -12.384 -15.537 1.00 10.00 H new ATOM 0 HH22 ARG A 56 -4.472 -14.038 -15.568 1.00 10.00 H new ATOM 671 N GLN A 57 -8.167 -9.403 -7.472 1.00 10.00 N ATOM 672 CA GLN A 57 -9.582 -9.358 -7.120 1.00 10.00 C ATOM 673 C GLN A 57 -10.092 -7.919 -7.051 1.00 10.00 C ATOM 674 O GLN A 57 -11.265 -7.650 -7.320 1.00 10.00 O ATOM 675 CB GLN A 57 -9.814 -10.056 -5.778 1.00 10.00 C ATOM 676 CG GLN A 57 -11.277 -10.114 -5.363 1.00 10.00 C ATOM 677 CD GLN A 57 -11.479 -10.769 -4.013 1.00 10.00 C ATOM 678 OE1 GLN A 57 -10.724 -11.658 -3.618 1.00 10.00 O ATOM 679 NE2 GLN A 57 -12.500 -10.332 -3.295 1.00 10.00 N ATOM 0 H GLN A 57 -7.532 -9.402 -6.674 1.00 10.00 H new ATOM 0 HA GLN A 57 -10.137 -9.879 -7.900 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -9.421 -11.071 -5.834 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -9.247 -9.537 -5.006 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -11.682 -9.103 -5.335 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -11.842 -10.663 -6.116 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -13.101 -9.593 -3.660 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -12.686 -10.734 -2.376 1.00 10.00 H new ATOM 688 N ILE A 58 -9.211 -6.994 -6.704 1.00 10.00 N ATOM 689 CA ILE A 58 -9.595 -5.593 -6.588 1.00 10.00 C ATOM 690 C ILE A 58 -9.079 -4.770 -7.760 1.00 10.00 C ATOM 691 O ILE A 58 -8.259 -5.240 -8.551 1.00 10.00 O ATOM 692 CB ILE A 58 -9.089 -4.976 -5.268 1.00 10.00 C ATOM 693 CG1 ILE A 58 -7.585 -5.213 -5.101 1.00 10.00 C ATOM 694 CG2 ILE A 58 -9.860 -5.549 -4.089 1.00 10.00 C ATOM 695 CD1 ILE A 58 -7.000 -4.539 -3.878 1.00 10.00 C ATOM 0 H ILE A 58 -8.230 -7.185 -6.498 1.00 10.00 H new ATOM 0 HA ILE A 58 -10.685 -5.569 -6.595 1.00 10.00 H new ATOM 0 HB ILE A 58 -9.259 -3.900 -5.301 1.00 10.00 H new ATOM 0 HG12 ILE A 58 -7.399 -6.285 -5.039 1.00 10.00 H new ATOM 0 HG13 ILE A 58 -7.067 -4.850 -5.989 1.00 10.00 H new ATOM 0 HG21 ILE A 58 -9.493 -5.105 -3.164 1.00 10.00 H new ATOM 0 HG22 ILE A 58 -10.920 -5.324 -4.204 1.00 10.00 H new ATOM 0 HG23 ILE A 58 -9.720 -6.629 -4.053 1.00 10.00 H new ATOM 0 HD11 ILE A 58 -5.932 -4.749 -3.823 1.00 10.00 H new ATOM 0 HD12 ILE A 58 -7.155 -3.462 -3.947 1.00 10.00 H new ATOM 0 HD13 ILE A 58 -7.492 -4.920 -2.983 1.00 10.00 H new ATOM 707 N ARG A 59 -9.584 -3.549 -7.874 1.00 10.00 N ATOM 708 CA ARG A 59 -9.184 -2.635 -8.938 1.00 10.00 C ATOM 709 C ARG A 59 -8.979 -1.235 -8.372 1.00 10.00 C ATOM 710 O ARG A 59 -9.812 -0.742 -7.611 1.00 10.00 O ATOM 711 CB ARG A 59 -10.246 -2.586 -10.044 1.00 10.00 C ATOM 712 CG ARG A 59 -10.430 -3.896 -10.790 1.00 10.00 C ATOM 713 CD ARG A 59 -9.187 -4.280 -11.577 1.00 10.00 C ATOM 714 NE ARG A 59 -9.414 -5.462 -12.407 1.00 10.00 N ATOM 715 CZ ARG A 59 -9.237 -6.716 -11.987 1.00 10.00 C ATOM 716 NH1 ARG A 59 -8.826 -6.952 -10.748 1.00 10.00 N ATOM 717 NH2 ARG A 59 -9.478 -7.736 -12.807 1.00 10.00 N ATOM 0 H ARG A 59 -10.280 -3.164 -7.235 1.00 10.00 H new ATOM 0 HA ARG A 59 -8.249 -2.999 -9.365 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -11.200 -2.295 -9.604 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -9.974 -1.809 -10.759 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -10.669 -4.688 -10.080 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -11.278 -3.811 -11.470 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -8.884 -3.445 -12.209 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -8.365 -4.472 -10.887 1.00 10.00 H new ATOM 0 HE ARG A 59 -9.727 -5.319 -13.367 1.00 10.00 H new ATOM 0 HH11 ARG A 59 -8.645 -6.174 -10.114 1.00 10.00 H new ATOM 0 HH12 ARG A 59 -8.691 -7.912 -10.429 1.00 10.00 H new ATOM 0 HH21 ARG A 59 -9.799 -7.560 -13.759 1.00 10.00 H new ATOM 0 HH22 ARG A 59 -9.342 -8.694 -12.483 1.00 10.00 H new ATOM 731 N PHE A 60 -7.871 -0.603 -8.737 1.00 10.00 N ATOM 732 CA PHE A 60 -7.571 0.744 -8.264 1.00 10.00 C ATOM 733 C PHE A 60 -7.817 1.754 -9.374 1.00 10.00 C ATOM 734 O PHE A 60 -7.416 1.539 -10.522 1.00 10.00 O ATOM 735 CB PHE A 60 -6.121 0.846 -7.788 1.00 10.00 C ATOM 736 CG PHE A 60 -5.843 0.126 -6.501 1.00 10.00 C ATOM 737 CD1 PHE A 60 -5.723 -1.252 -6.478 1.00 10.00 C ATOM 738 CD2 PHE A 60 -5.690 0.832 -5.320 1.00 10.00 C ATOM 739 CE1 PHE A 60 -5.457 -1.915 -5.298 1.00 10.00 C ATOM 740 CE2 PHE A 60 -5.424 0.174 -4.136 1.00 10.00 C ATOM 741 CZ PHE A 60 -5.307 -1.201 -4.125 1.00 10.00 C ATOM 0 H PHE A 60 -7.166 -1.000 -9.358 1.00 10.00 H new ATOM 0 HA PHE A 60 -8.229 0.962 -7.423 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -5.467 0.446 -8.563 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -5.864 1.898 -7.665 1.00 10.00 H new ATOM 0 HD1 PHE A 60 -5.839 -1.814 -7.393 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -5.780 1.908 -5.325 1.00 10.00 H new ATOM 0 HE1 PHE A 60 -5.366 -2.991 -5.291 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -5.308 0.734 -3.220 1.00 10.00 H new ATOM 0 HZ PHE A 60 -5.098 -1.718 -3.200 1.00 10.00 H new ATOM 751 N ARG A 61 -8.486 2.847 -9.038 1.00 10.00 N ATOM 752 CA ARG A 61 -8.783 3.884 -10.016 1.00 10.00 C ATOM 753 C ARG A 61 -8.389 5.260 -9.504 1.00 10.00 C ATOM 754 O ARG A 61 -8.581 5.585 -8.332 1.00 10.00 O ATOM 755 CB ARG A 61 -10.269 3.880 -10.380 1.00 10.00 C ATOM 756 CG ARG A 61 -10.684 2.695 -11.233 1.00 10.00 C ATOM 757 CD ARG A 61 -12.017 2.948 -11.915 1.00 10.00 C ATOM 758 NE ARG A 61 -12.574 1.731 -12.496 1.00 10.00 N ATOM 759 CZ ARG A 61 -13.878 1.465 -12.552 1.00 10.00 C ATOM 760 NH1 ARG A 61 -14.757 2.335 -12.071 1.00 10.00 N ATOM 761 NH2 ARG A 61 -14.300 0.328 -13.084 1.00 10.00 N ATOM 0 H ARG A 61 -8.833 3.039 -8.098 1.00 10.00 H new ATOM 0 HA ARG A 61 -8.195 3.664 -10.907 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -10.859 3.881 -9.463 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -10.506 4.801 -10.913 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -9.919 2.500 -11.985 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -10.755 1.803 -10.611 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -12.721 3.360 -11.192 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -11.888 3.697 -12.697 1.00 10.00 H new ATOM 0 HE ARG A 61 -11.927 1.044 -12.882 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -14.435 3.210 -11.657 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -15.755 2.129 -12.115 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -13.626 -0.344 -13.451 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -15.299 0.125 -13.127 1.00 10.00 H new ATOM 775 N PHE A 62 -7.836 6.055 -10.402 1.00 10.00 N ATOM 776 CA PHE A 62 -7.416 7.409 -10.098 1.00 10.00 C ATOM 777 C PHE A 62 -7.933 8.341 -11.187 1.00 10.00 C ATOM 778 O PHE A 62 -7.624 8.149 -12.366 1.00 10.00 O ATOM 779 CB PHE A 62 -5.886 7.476 -10.007 1.00 10.00 C ATOM 780 CG PHE A 62 -5.326 8.871 -9.985 1.00 10.00 C ATOM 781 CD1 PHE A 62 -5.438 9.661 -8.851 1.00 10.00 C ATOM 782 CD2 PHE A 62 -4.688 9.391 -11.101 1.00 10.00 C ATOM 783 CE1 PHE A 62 -4.921 10.940 -8.830 1.00 10.00 C ATOM 784 CE2 PHE A 62 -4.169 10.671 -11.085 1.00 10.00 C ATOM 785 CZ PHE A 62 -4.288 11.448 -9.949 1.00 10.00 C ATOM 0 H PHE A 62 -7.665 5.777 -11.368 1.00 10.00 H new ATOM 0 HA PHE A 62 -7.825 7.719 -9.136 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -5.565 6.954 -9.106 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -5.460 6.940 -10.855 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -5.935 9.271 -7.975 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -4.596 8.789 -11.993 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -5.011 11.544 -7.939 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -3.671 11.064 -11.959 1.00 10.00 H new ATOM 0 HZ PHE A 62 -3.887 12.451 -9.935 1.00 10.00 H new ATOM 795 N ASP A 63 -8.755 9.314 -10.790 1.00 10.00 N ATOM 796 CA ASP A 63 -9.337 10.281 -11.726 1.00 10.00 C ATOM 797 C ASP A 63 -10.313 9.569 -12.664 1.00 10.00 C ATOM 798 O ASP A 63 -10.573 10.005 -13.783 1.00 10.00 O ATOM 799 CB ASP A 63 -8.229 11.003 -12.517 1.00 10.00 C ATOM 800 CG ASP A 63 -8.748 12.158 -13.356 1.00 10.00 C ATOM 801 OD1 ASP A 63 -9.319 13.105 -12.783 1.00 10.00 O ATOM 802 OD2 ASP A 63 -8.580 12.125 -14.594 1.00 10.00 O ATOM 0 H ASP A 63 -9.035 9.455 -9.819 1.00 10.00 H new ATOM 0 HA ASP A 63 -9.887 11.036 -11.164 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -7.479 11.377 -11.820 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -7.730 10.285 -13.168 1.00 10.00 H new ATOM 807 N GLY A 64 -10.859 8.458 -12.181 1.00 10.00 N ATOM 808 CA GLY A 64 -11.799 7.685 -12.971 1.00 10.00 C ATOM 809 C GLY A 64 -11.111 6.751 -13.948 1.00 10.00 C ATOM 810 O GLY A 64 -11.771 6.059 -14.722 1.00 10.00 O ATOM 0 H GLY A 64 -10.667 8.078 -11.254 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -12.435 7.103 -12.304 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -12.450 8.364 -13.521 1.00 10.00 H new ATOM 814 N GLN A 65 -9.786 6.727 -13.916 1.00 10.00 N ATOM 815 CA GLN A 65 -9.023 5.871 -14.815 1.00 10.00 C ATOM 816 C GLN A 65 -8.277 4.798 -14.025 1.00 10.00 C ATOM 817 O GLN A 65 -7.772 5.072 -12.938 1.00 10.00 O ATOM 818 CB GLN A 65 -8.029 6.706 -15.628 1.00 10.00 C ATOM 819 CG GLN A 65 -8.638 7.971 -16.220 1.00 10.00 C ATOM 820 CD GLN A 65 -9.817 7.683 -17.131 1.00 10.00 C ATOM 821 OE1 GLN A 65 -9.834 6.687 -17.854 1.00 10.00 O ATOM 822 NE2 GLN A 65 -10.818 8.549 -17.092 1.00 10.00 N ATOM 0 H GLN A 65 -9.219 7.288 -13.280 1.00 10.00 H new ATOM 0 HA GLN A 65 -9.718 5.384 -15.499 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -7.190 6.981 -14.989 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -7.627 6.094 -16.435 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -8.961 8.627 -15.411 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -7.874 8.509 -16.781 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -10.765 9.362 -16.479 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -11.642 8.403 -17.675 1.00 10.00 H new ATOM 831 N PRO A 66 -8.221 3.559 -14.542 1.00 10.00 N ATOM 832 CA PRO A 66 -7.524 2.456 -13.873 1.00 10.00 C ATOM 833 C PRO A 66 -6.013 2.670 -13.845 1.00 10.00 C ATOM 834 O PRO A 66 -5.429 3.160 -14.812 1.00 10.00 O ATOM 835 CB PRO A 66 -7.873 1.224 -14.722 1.00 10.00 C ATOM 836 CG PRO A 66 -8.992 1.650 -15.611 1.00 10.00 C ATOM 837 CD PRO A 66 -8.831 3.128 -15.808 1.00 10.00 C ATOM 0 HA PRO A 66 -7.827 2.361 -12.830 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -7.013 0.894 -15.305 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -8.171 0.386 -14.092 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -8.953 1.124 -16.565 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -9.957 1.420 -15.159 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -8.194 3.355 -16.662 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -9.788 3.619 -15.984 1.00 10.00 H new ATOM 845 N ILE A 67 -5.386 2.304 -12.737 1.00 10.00 N ATOM 846 CA ILE A 67 -3.946 2.469 -12.590 1.00 10.00 C ATOM 847 C ILE A 67 -3.215 1.179 -12.943 1.00 10.00 C ATOM 848 O ILE A 67 -3.690 0.081 -12.640 1.00 10.00 O ATOM 849 CB ILE A 67 -3.561 2.888 -11.157 1.00 10.00 C ATOM 850 CG1 ILE A 67 -4.683 3.704 -10.512 1.00 10.00 C ATOM 851 CG2 ILE A 67 -2.267 3.689 -11.179 1.00 10.00 C ATOM 852 CD1 ILE A 67 -4.454 3.996 -9.046 1.00 10.00 C ATOM 0 H ILE A 67 -5.850 1.892 -11.928 1.00 10.00 H new ATOM 0 HA ILE A 67 -3.648 3.261 -13.277 1.00 10.00 H new ATOM 0 HB ILE A 67 -3.409 1.988 -10.561 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -4.790 4.646 -11.049 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -5.624 3.165 -10.624 1.00 10.00 H new ATOM 0 HG21 ILE A 67 -2.002 3.981 -10.163 1.00 10.00 H new ATOM 0 HG22 ILE A 67 -1.468 3.079 -11.601 1.00 10.00 H new ATOM 0 HG23 ILE A 67 -2.402 4.582 -11.789 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -5.289 4.578 -8.656 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -4.377 3.058 -8.496 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -3.531 4.563 -8.928 1.00 10.00 H new ATOM 864 N ASN A 68 -2.059 1.321 -13.578 1.00 10.00 N ATOM 865 CA ASN A 68 -1.252 0.177 -13.984 1.00 10.00 C ATOM 866 C ASN A 68 -0.105 -0.020 -13.002 1.00 10.00 C ATOM 867 O ASN A 68 0.156 0.844 -12.166 1.00 10.00 O ATOM 868 CB ASN A 68 -0.686 0.380 -15.395 1.00 10.00 C ATOM 869 CG ASN A 68 -1.682 0.999 -16.353 1.00 10.00 C ATOM 870 OD1 ASN A 68 -2.449 0.301 -17.020 1.00 10.00 O ATOM 871 ND2 ASN A 68 -1.675 2.319 -16.429 1.00 10.00 N ATOM 0 H ASN A 68 -1.656 2.225 -13.825 1.00 10.00 H new ATOM 0 HA ASN A 68 -1.890 -0.707 -13.988 1.00 10.00 H new ATOM 0 HB2 ASN A 68 0.197 1.017 -15.337 1.00 10.00 H new ATOM 0 HB3 ASN A 68 -0.360 -0.582 -15.791 1.00 10.00 H new ATOM 0 HD21 ASN A 68 -2.321 2.797 -17.057 1.00 10.00 H new ATOM 0 HD22 ASN A 68 -1.024 2.859 -15.859 1.00 10.00 H new ATOM 878 N GLU A 69 0.601 -1.138 -13.123 1.00 10.00 N ATOM 879 CA GLU A 69 1.723 -1.439 -12.236 1.00 10.00 C ATOM 880 C GLU A 69 3.013 -0.786 -12.732 1.00 10.00 C ATOM 881 O GLU A 69 4.111 -1.211 -12.377 1.00 10.00 O ATOM 882 CB GLU A 69 1.912 -2.954 -12.111 1.00 10.00 C ATOM 883 CG GLU A 69 0.778 -3.643 -11.368 1.00 10.00 C ATOM 884 CD GLU A 69 0.955 -5.145 -11.279 1.00 10.00 C ATOM 885 OE1 GLU A 69 1.517 -5.626 -10.276 1.00 10.00 O ATOM 886 OE2 GLU A 69 0.515 -5.853 -12.208 1.00 10.00 O ATOM 0 H GLU A 69 0.418 -1.853 -13.827 1.00 10.00 H new ATOM 0 HA GLU A 69 1.492 -1.028 -11.253 1.00 10.00 H new ATOM 0 HB2 GLU A 69 1.999 -3.386 -13.108 1.00 10.00 H new ATOM 0 HB3 GLU A 69 2.850 -3.155 -11.594 1.00 10.00 H new ATOM 0 HG2 GLU A 69 0.707 -3.231 -10.361 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -0.164 -3.423 -11.870 1.00 10.00 H new ATOM 893 N THR A 70 2.868 0.245 -13.555 1.00 10.00 N ATOM 894 CA THR A 70 4.006 0.968 -14.100 1.00 10.00 C ATOM 895 C THR A 70 3.841 2.470 -13.889 1.00 10.00 C ATOM 896 O THR A 70 4.539 3.280 -14.502 1.00 10.00 O ATOM 897 CB THR A 70 4.158 0.689 -15.606 1.00 10.00 C ATOM 898 OG1 THR A 70 2.865 0.684 -16.232 1.00 10.00 O ATOM 899 CG2 THR A 70 4.848 -0.643 -15.848 1.00 10.00 C ATOM 0 H THR A 70 1.962 0.601 -13.861 1.00 10.00 H new ATOM 0 HA THR A 70 4.898 0.623 -13.576 1.00 10.00 H new ATOM 0 HB THR A 70 4.773 1.478 -16.039 1.00 10.00 H new ATOM 0 HG1 THR A 70 2.966 0.508 -17.191 1.00 10.00 H new ATOM 0 HG21 THR A 70 4.942 -0.814 -16.920 1.00 10.00 H new ATOM 0 HG22 THR A 70 5.839 -0.627 -15.395 1.00 10.00 H new ATOM 0 HG23 THR A 70 4.258 -1.444 -15.403 1.00 10.00 H new ATOM 907 N ASP A 71 2.915 2.839 -13.013 1.00 10.00 N ATOM 908 CA ASP A 71 2.638 4.245 -12.750 1.00 10.00 C ATOM 909 C ASP A 71 3.224 4.701 -11.418 1.00 10.00 C ATOM 910 O ASP A 71 3.382 3.909 -10.486 1.00 10.00 O ATOM 911 CB ASP A 71 1.129 4.508 -12.774 1.00 10.00 C ATOM 912 CG ASP A 71 0.521 4.296 -14.147 1.00 10.00 C ATOM 913 OD1 ASP A 71 1.102 4.778 -15.143 1.00 10.00 O ATOM 914 OD2 ASP A 71 -0.544 3.646 -14.242 1.00 10.00 O ATOM 0 H ASP A 71 2.345 2.187 -12.474 1.00 10.00 H new ATOM 0 HA ASP A 71 3.117 4.822 -13.541 1.00 10.00 H new ATOM 0 HB2 ASP A 71 0.638 3.849 -12.058 1.00 10.00 H new ATOM 0 HB3 ASP A 71 0.937 5.531 -12.450 1.00 10.00 H new ATOM 919 N THR A 72 3.546 5.983 -11.349 1.00 10.00 N ATOM 920 CA THR A 72 4.105 6.586 -10.148 1.00 10.00 C ATOM 921 C THR A 72 3.366 7.890 -9.837 1.00 10.00 C ATOM 922 O THR A 72 2.736 8.465 -10.727 1.00 10.00 O ATOM 923 CB THR A 72 5.611 6.877 -10.327 1.00 10.00 C ATOM 924 OG1 THR A 72 5.935 6.943 -11.721 1.00 10.00 O ATOM 925 CG2 THR A 72 6.463 5.810 -9.657 1.00 10.00 C ATOM 0 H THR A 72 3.427 6.636 -12.124 1.00 10.00 H new ATOM 0 HA THR A 72 3.984 5.885 -9.322 1.00 10.00 H new ATOM 0 HB THR A 72 5.825 7.835 -9.854 1.00 10.00 H new ATOM 0 HG1 THR A 72 6.891 7.130 -11.826 1.00 10.00 H new ATOM 0 HG21 THR A 72 7.518 6.043 -9.801 1.00 10.00 H new ATOM 0 HG22 THR A 72 6.240 5.783 -8.590 1.00 10.00 H new ATOM 0 HG23 THR A 72 6.243 4.838 -10.099 1.00 10.00 H new ATOM 933 N PRO A 73 3.419 8.379 -8.583 1.00 10.00 N ATOM 934 CA PRO A 73 2.741 9.622 -8.195 1.00 10.00 C ATOM 935 C PRO A 73 3.202 10.812 -9.032 1.00 10.00 C ATOM 936 O PRO A 73 2.396 11.655 -9.424 1.00 10.00 O ATOM 937 CB PRO A 73 3.140 9.815 -6.728 1.00 10.00 C ATOM 938 CG PRO A 73 3.536 8.462 -6.258 1.00 10.00 C ATOM 939 CD PRO A 73 4.126 7.764 -7.449 1.00 10.00 C ATOM 0 HA PRO A 73 1.663 9.560 -8.347 1.00 10.00 H new ATOM 0 HB2 PRO A 73 3.963 10.523 -6.632 1.00 10.00 H new ATOM 0 HB3 PRO A 73 2.310 10.210 -6.142 1.00 10.00 H new ATOM 0 HG2 PRO A 73 4.261 8.528 -5.446 1.00 10.00 H new ATOM 0 HG3 PRO A 73 2.675 7.916 -5.873 1.00 10.00 H new ATOM 0 HD2 PRO A 73 5.203 7.919 -7.514 1.00 10.00 H new ATOM 0 HD3 PRO A 73 3.961 6.687 -7.407 1.00 10.00 H new ATOM 947 N ALA A 74 4.499 10.857 -9.319 1.00 10.00 N ATOM 948 CA ALA A 74 5.077 11.939 -10.112 1.00 10.00 C ATOM 949 C ALA A 74 4.775 11.763 -11.597 1.00 10.00 C ATOM 950 O ALA A 74 5.015 12.663 -12.399 1.00 10.00 O ATOM 951 CB ALA A 74 6.580 12.013 -9.892 1.00 10.00 C ATOM 0 H ALA A 74 5.173 10.155 -9.014 1.00 10.00 H new ATOM 0 HA ALA A 74 4.621 12.872 -9.782 1.00 10.00 H new ATOM 0 HB1 ALA A 74 6.996 12.824 -10.490 1.00 10.00 H new ATOM 0 HB2 ALA A 74 6.785 12.198 -8.837 1.00 10.00 H new ATOM 0 HB3 ALA A 74 7.038 11.070 -10.191 1.00 10.00 H new ATOM 957 N GLN A 75 4.253 10.602 -11.957 1.00 10.00 N ATOM 958 CA GLN A 75 3.924 10.309 -13.344 1.00 10.00 C ATOM 959 C GLN A 75 2.454 10.607 -13.613 1.00 10.00 C ATOM 960 O GLN A 75 2.079 11.003 -14.716 1.00 10.00 O ATOM 961 CB GLN A 75 4.233 8.844 -13.664 1.00 10.00 C ATOM 962 CG GLN A 75 4.091 8.491 -15.136 1.00 10.00 C ATOM 963 CD GLN A 75 4.966 9.346 -16.030 1.00 10.00 C ATOM 964 OE1 GLN A 75 6.040 9.799 -15.628 1.00 10.00 O ATOM 965 NE2 GLN A 75 4.509 9.577 -17.247 1.00 10.00 N ATOM 0 H GLN A 75 4.047 9.844 -11.306 1.00 10.00 H new ATOM 0 HA GLN A 75 4.533 10.944 -13.988 1.00 10.00 H new ATOM 0 HB2 GLN A 75 5.250 8.619 -13.343 1.00 10.00 H new ATOM 0 HB3 GLN A 75 3.567 8.207 -13.082 1.00 10.00 H new ATOM 0 HG2 GLN A 75 4.348 7.441 -15.280 1.00 10.00 H new ATOM 0 HG3 GLN A 75 3.049 8.608 -15.435 1.00 10.00 H new ATOM 0 HE21 GLN A 75 3.615 9.183 -17.539 1.00 10.00 H new ATOM 0 HE22 GLN A 75 5.050 10.150 -17.895 1.00 10.00 H new ATOM 974 N LEU A 76 1.630 10.425 -12.593 1.00 10.00 N ATOM 975 CA LEU A 76 0.199 10.668 -12.714 1.00 10.00 C ATOM 976 C LEU A 76 -0.165 12.072 -12.245 1.00 10.00 C ATOM 977 O LEU A 76 -1.342 12.415 -12.157 1.00 10.00 O ATOM 978 CB LEU A 76 -0.585 9.625 -11.910 1.00 10.00 C ATOM 979 CG LEU A 76 -0.512 8.196 -12.450 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.191 7.234 -11.494 1.00 10.00 C ATOM 981 CD2 LEU A 76 -1.148 8.109 -13.830 1.00 10.00 C ATOM 0 H LEU A 76 1.927 10.109 -11.670 1.00 10.00 H new ATOM 0 HA LEU A 76 -0.068 10.583 -13.767 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -0.216 9.628 -10.884 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -1.631 9.929 -11.873 1.00 10.00 H new ATOM 0 HG LEU A 76 0.538 7.917 -12.538 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -1.130 6.221 -11.893 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -0.694 7.273 -10.525 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -2.237 7.516 -11.377 1.00 10.00 H new ATOM 0 HD21 LEU A 76 -1.085 7.084 -14.196 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -2.194 8.409 -13.768 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -0.621 8.772 -14.516 1.00 10.00 H new ATOM 993 N GLU A 77 0.857 12.872 -11.942 1.00 10.00 N ATOM 994 CA GLU A 77 0.668 14.247 -11.482 1.00 10.00 C ATOM 995 C GLU A 77 -0.189 14.294 -10.223 1.00 10.00 C ATOM 996 O GLU A 77 -1.078 15.138 -10.084 1.00 10.00 O ATOM 997 CB GLU A 77 0.042 15.098 -12.586 1.00 10.00 C ATOM 998 CG GLU A 77 1.025 15.485 -13.670 1.00 10.00 C ATOM 999 CD GLU A 77 2.155 16.338 -13.139 1.00 10.00 C ATOM 1000 OE1 GLU A 77 2.028 17.579 -13.162 1.00 10.00 O ATOM 1001 OE2 GLU A 77 3.178 15.776 -12.701 1.00 10.00 O ATOM 0 H GLU A 77 1.834 12.587 -12.008 1.00 10.00 H new ATOM 0 HA GLU A 77 1.648 14.657 -11.237 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -0.786 14.548 -13.034 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -0.377 16.002 -12.145 1.00 10.00 H new ATOM 0 HG2 GLU A 77 1.435 14.583 -14.125 1.00 10.00 H new ATOM 0 HG3 GLU A 77 0.501 16.028 -14.456 1.00 10.00 H new ATOM 1008 N MET A 78 0.093 13.390 -9.304 1.00 10.00 N ATOM 1009 CA MET A 78 -0.650 13.318 -8.058 1.00 10.00 C ATOM 1010 C MET A 78 -0.090 14.309 -7.053 1.00 10.00 C ATOM 1011 O MET A 78 1.111 14.584 -7.044 1.00 10.00 O ATOM 1012 CB MET A 78 -0.591 11.910 -7.477 1.00 10.00 C ATOM 1013 CG MET A 78 -1.060 10.836 -8.440 1.00 10.00 C ATOM 1014 SD MET A 78 -0.952 9.181 -7.741 1.00 10.00 S ATOM 1015 CE MET A 78 -2.166 9.304 -6.426 1.00 10.00 C ATOM 0 H MET A 78 0.833 12.694 -9.396 1.00 10.00 H new ATOM 0 HA MET A 78 -1.690 13.569 -8.268 1.00 10.00 H new ATOM 0 HB2 MET A 78 0.434 11.693 -7.175 1.00 10.00 H new ATOM 0 HB3 MET A 78 -1.204 11.872 -6.576 1.00 10.00 H new ATOM 0 HG2 MET A 78 -2.092 11.038 -8.728 1.00 10.00 H new ATOM 0 HG3 MET A 78 -0.460 10.882 -9.349 1.00 10.00 H new ATOM 0 HE1 MET A 78 -1.658 9.315 -5.462 1.00 10.00 H new ATOM 0 HE2 MET A 78 -2.739 10.223 -6.545 1.00 10.00 H new ATOM 0 HE3 MET A 78 -2.840 8.448 -6.471 1.00 10.00 H new ATOM 1025 N GLU A 79 -0.962 14.841 -6.213 1.00 10.00 N ATOM 1026 CA GLU A 79 -0.559 15.798 -5.196 1.00 10.00 C ATOM 1027 C GLU A 79 -0.914 15.262 -3.818 1.00 10.00 C ATOM 1028 O GLU A 79 -1.415 14.143 -3.694 1.00 10.00 O ATOM 1029 CB GLU A 79 -1.229 17.154 -5.434 1.00 10.00 C ATOM 1030 CG GLU A 79 -0.242 18.295 -5.629 1.00 10.00 C ATOM 1031 CD GLU A 79 0.705 18.452 -4.456 1.00 10.00 C ATOM 1032 OE1 GLU A 79 0.227 18.649 -3.322 1.00 10.00 O ATOM 1033 OE2 GLU A 79 1.933 18.370 -4.660 1.00 10.00 O ATOM 0 H GLU A 79 -1.959 14.625 -6.216 1.00 10.00 H new ATOM 0 HA GLU A 79 0.520 15.941 -5.254 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -1.869 17.084 -6.313 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -1.875 17.384 -4.587 1.00 10.00 H new ATOM 0 HG2 GLU A 79 0.335 18.120 -6.537 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -0.791 19.225 -5.775 1.00 10.00 H new ATOM 1040 N ASP A 80 -0.654 16.048 -2.786 1.00 10.00 N ATOM 1041 CA ASP A 80 -0.951 15.626 -1.426 1.00 10.00 C ATOM 1042 C ASP A 80 -2.454 15.537 -1.210 1.00 10.00 C ATOM 1043 O ASP A 80 -3.215 16.335 -1.763 1.00 10.00 O ATOM 1044 CB ASP A 80 -0.322 16.580 -0.410 1.00 10.00 C ATOM 1045 CG ASP A 80 0.965 16.028 0.169 1.00 10.00 C ATOM 1046 OD1 ASP A 80 2.045 16.321 -0.382 1.00 10.00 O ATOM 1047 OD2 ASP A 80 0.901 15.297 1.179 1.00 10.00 O ATOM 0 H ASP A 80 -0.240 16.977 -2.863 1.00 10.00 H new ATOM 0 HA ASP A 80 -0.520 14.636 -1.277 1.00 10.00 H new ATOM 0 HB2 ASP A 80 -0.122 17.538 -0.889 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -1.030 16.768 0.397 1.00 10.00 H new ATOM 1052 N GLU A 81 -2.863 14.550 -0.416 1.00 10.00 N ATOM 1053 CA GLU A 81 -4.272 14.301 -0.098 1.00 10.00 C ATOM 1054 C GLU A 81 -5.023 13.723 -1.295 1.00 10.00 C ATOM 1055 O GLU A 81 -6.256 13.667 -1.292 1.00 10.00 O ATOM 1056 CB GLU A 81 -4.975 15.569 0.398 1.00 10.00 C ATOM 1057 CG GLU A 81 -4.654 15.927 1.839 1.00 10.00 C ATOM 1058 CD GLU A 81 -5.790 16.654 2.526 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -5.607 17.823 2.914 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -6.877 16.060 2.679 1.00 10.00 O ATOM 0 H GLU A 81 -2.222 13.893 0.030 1.00 10.00 H new ATOM 0 HA GLU A 81 -4.285 13.566 0.707 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -4.694 16.403 -0.245 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -6.052 15.438 0.298 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -4.423 15.017 2.393 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -3.761 16.551 1.864 1.00 10.00 H new ATOM 1067 N ASP A 82 -4.287 13.290 -2.315 1.00 10.00 N ATOM 1068 CA ASP A 82 -4.911 12.704 -3.493 1.00 10.00 C ATOM 1069 C ASP A 82 -5.551 11.380 -3.107 1.00 10.00 C ATOM 1070 O ASP A 82 -4.893 10.495 -2.557 1.00 10.00 O ATOM 1071 CB ASP A 82 -3.896 12.501 -4.619 1.00 10.00 C ATOM 1072 CG ASP A 82 -4.343 13.156 -5.911 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -5.485 12.900 -6.343 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -3.559 13.939 -6.496 1.00 10.00 O ATOM 0 H ASP A 82 -3.268 13.334 -2.348 1.00 10.00 H new ATOM 0 HA ASP A 82 -5.674 13.388 -3.864 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -2.933 12.913 -4.318 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -3.748 11.434 -4.786 1.00 10.00 H new ATOM 1079 N THR A 83 -6.840 11.259 -3.368 1.00 10.00 N ATOM 1080 CA THR A 83 -7.576 10.060 -3.014 1.00 10.00 C ATOM 1081 C THR A 83 -7.659 9.073 -4.176 1.00 10.00 C ATOM 1082 O THR A 83 -7.874 9.460 -5.327 1.00 10.00 O ATOM 1083 CB THR A 83 -8.992 10.427 -2.534 1.00 10.00 C ATOM 1084 OG1 THR A 83 -8.916 11.530 -1.615 1.00 10.00 O ATOM 1085 CG2 THR A 83 -9.663 9.246 -1.851 1.00 10.00 C ATOM 0 H THR A 83 -7.400 11.979 -3.825 1.00 10.00 H new ATOM 0 HA THR A 83 -7.032 9.572 -2.206 1.00 10.00 H new ATOM 0 HB THR A 83 -9.587 10.705 -3.404 1.00 10.00 H new ATOM 0 HG1 THR A 83 -9.817 11.765 -1.311 1.00 10.00 H new ATOM 0 HG21 THR A 83 -10.661 9.535 -1.523 1.00 10.00 H new ATOM 0 HG22 THR A 83 -9.738 8.415 -2.552 1.00 10.00 H new ATOM 0 HG23 THR A 83 -9.071 8.941 -0.988 1.00 10.00 H new ATOM 1093 N ILE A 84 -7.455 7.799 -3.857 1.00 10.00 N ATOM 1094 CA ILE A 84 -7.523 6.727 -4.838 1.00 10.00 C ATOM 1095 C ILE A 84 -8.732 5.847 -4.536 1.00 10.00 C ATOM 1096 O ILE A 84 -8.987 5.515 -3.375 1.00 10.00 O ATOM 1097 CB ILE A 84 -6.242 5.859 -4.823 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.001 6.724 -5.074 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -6.334 4.741 -5.857 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -3.699 5.950 -5.029 1.00 10.00 C ATOM 0 H ILE A 84 -7.238 7.483 -2.912 1.00 10.00 H new ATOM 0 HA ILE A 84 -7.615 7.176 -5.827 1.00 10.00 H new ATOM 0 HB ILE A 84 -6.151 5.404 -3.837 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -5.095 7.204 -6.048 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -4.967 7.519 -4.329 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -5.423 4.144 -5.829 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -7.191 4.106 -5.631 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -6.454 5.173 -6.850 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -2.866 6.628 -5.215 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -3.582 5.492 -4.047 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.712 5.172 -5.793 1.00 10.00 H new ATOM 1112 N ASP A 85 -9.477 5.482 -5.569 1.00 10.00 N ATOM 1113 CA ASP A 85 -10.659 4.649 -5.396 1.00 10.00 C ATOM 1114 C ASP A 85 -10.309 3.177 -5.548 1.00 10.00 C ATOM 1115 O ASP A 85 -9.545 2.799 -6.439 1.00 10.00 O ATOM 1116 CB ASP A 85 -11.750 5.028 -6.403 1.00 10.00 C ATOM 1117 CG ASP A 85 -12.475 6.303 -6.022 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -13.278 6.277 -5.060 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -12.247 7.341 -6.684 1.00 10.00 O ATOM 0 H ASP A 85 -9.285 5.749 -6.535 1.00 10.00 H new ATOM 0 HA ASP A 85 -11.038 4.820 -4.389 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -11.303 5.149 -7.390 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -12.470 4.213 -6.477 1.00 10.00 H new ATOM 1124 N VAL A 86 -10.863 2.353 -4.671 1.00 10.00 N ATOM 1125 CA VAL A 86 -10.613 0.920 -4.704 1.00 10.00 C ATOM 1126 C VAL A 86 -11.919 0.156 -4.873 1.00 10.00 C ATOM 1127 O VAL A 86 -12.779 0.175 -3.990 1.00 10.00 O ATOM 1128 CB VAL A 86 -9.904 0.428 -3.422 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -9.520 -1.036 -3.549 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -8.683 1.281 -3.118 1.00 10.00 C ATOM 0 H VAL A 86 -11.491 2.654 -3.925 1.00 10.00 H new ATOM 0 HA VAL A 86 -9.958 0.731 -5.555 1.00 10.00 H new ATOM 0 HB VAL A 86 -10.601 0.526 -2.590 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -9.022 -1.362 -2.636 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -10.417 -1.635 -3.707 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -8.845 -1.163 -4.395 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -8.201 0.916 -2.211 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -7.982 1.223 -3.951 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -8.990 2.317 -2.974 1.00 10.00 H new ATOM 1140 N PHE A 87 -12.062 -0.515 -6.003 1.00 10.00 N ATOM 1141 CA PHE A 87 -13.266 -1.277 -6.294 1.00 10.00 C ATOM 1142 C PHE A 87 -12.964 -2.771 -6.332 1.00 10.00 C ATOM 1143 O PHE A 87 -11.819 -3.185 -6.135 1.00 10.00 O ATOM 1144 CB PHE A 87 -13.858 -0.835 -7.632 1.00 10.00 C ATOM 1145 CG PHE A 87 -14.249 0.615 -7.669 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -15.373 1.064 -6.994 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -13.492 1.530 -8.385 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -15.737 2.397 -7.033 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -13.849 2.863 -8.427 1.00 10.00 C ATOM 1150 CZ PHE A 87 -14.973 3.299 -7.752 1.00 10.00 C ATOM 0 H PHE A 87 -11.356 -0.548 -6.738 1.00 10.00 H new ATOM 0 HA PHE A 87 -13.989 -1.088 -5.501 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -13.132 -1.027 -8.422 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -14.735 -1.444 -7.851 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -15.972 0.364 -6.431 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -12.613 1.196 -8.916 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -16.616 2.734 -6.503 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -13.250 3.565 -8.988 1.00 10.00 H new ATOM 0 HZ PHE A 87 -15.254 4.341 -7.786 1.00 10.00 H new ATOM 1160 N GLN A 88 -13.990 -3.569 -6.588 1.00 10.00 N ATOM 1161 CA GLN A 88 -13.850 -5.017 -6.666 1.00 10.00 C ATOM 1162 C GLN A 88 -14.220 -5.497 -8.062 1.00 10.00 C ATOM 1163 O GLN A 88 -15.031 -4.868 -8.743 1.00 10.00 O ATOM 1164 CB GLN A 88 -14.757 -5.703 -5.637 1.00 10.00 C ATOM 1165 CG GLN A 88 -14.328 -5.486 -4.195 1.00 10.00 C ATOM 1166 CD GLN A 88 -13.694 -6.720 -3.578 1.00 10.00 C ATOM 1167 OE1 GLN A 88 -13.999 -7.853 -3.960 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -12.818 -6.509 -2.611 1.00 10.00 N ATOM 0 H GLN A 88 -14.940 -3.233 -6.747 1.00 10.00 H new ATOM 0 HA GLN A 88 -12.813 -5.275 -6.451 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -15.775 -5.334 -5.762 1.00 10.00 H new ATOM 0 HB3 GLN A 88 -14.778 -6.773 -5.842 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -13.619 -4.659 -4.152 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -15.195 -5.194 -3.603 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -12.594 -5.556 -2.325 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -12.366 -7.299 -2.151 1.00 10.00 H new ATOM 1177 N GLN A 89 -13.622 -6.597 -8.490 1.00 10.00 N ATOM 1178 CA GLN A 89 -13.916 -7.152 -9.797 1.00 10.00 C ATOM 1179 C GLN A 89 -15.181 -8.003 -9.714 1.00 10.00 C ATOM 1180 O GLN A 89 -15.464 -8.608 -8.677 1.00 10.00 O ATOM 1181 CB GLN A 89 -12.734 -7.987 -10.303 1.00 10.00 C ATOM 1182 CG GLN A 89 -12.815 -8.326 -11.784 1.00 10.00 C ATOM 1183 CD GLN A 89 -12.967 -7.095 -12.661 1.00 10.00 C ATOM 1184 OE1 GLN A 89 -12.474 -6.015 -12.339 1.00 10.00 O ATOM 1185 NE2 GLN A 89 -13.657 -7.250 -13.773 1.00 10.00 N ATOM 0 H GLN A 89 -12.932 -7.121 -7.951 1.00 10.00 H new ATOM 0 HA GLN A 89 -14.080 -6.339 -10.504 1.00 10.00 H new ATOM 0 HB2 GLN A 89 -11.809 -7.443 -10.114 1.00 10.00 H new ATOM 0 HB3 GLN A 89 -12.682 -8.913 -9.730 1.00 10.00 H new ATOM 0 HG2 GLN A 89 -11.916 -8.867 -12.078 1.00 10.00 H new ATOM 0 HG3 GLN A 89 -13.659 -8.994 -11.954 1.00 10.00 H new ATOM 0 HE21 GLN A 89 -14.051 -8.162 -14.006 1.00 10.00 H new ATOM 0 HE22 GLN A 89 -13.797 -6.458 -14.401 1.00 10.00 H new ATOM 1194 N GLN A 90 -15.950 -8.028 -10.791 1.00 10.00 N ATOM 1195 CA GLN A 90 -17.183 -8.800 -10.829 1.00 10.00 C ATOM 1196 C GLN A 90 -16.865 -10.290 -10.870 1.00 10.00 C ATOM 1197 O GLN A 90 -16.064 -10.738 -11.690 1.00 10.00 O ATOM 1198 CB GLN A 90 -18.034 -8.409 -12.044 1.00 10.00 C ATOM 1199 CG GLN A 90 -18.320 -6.915 -12.144 1.00 10.00 C ATOM 1200 CD GLN A 90 -17.207 -6.152 -12.843 1.00 10.00 C ATOM 1201 OE1 GLN A 90 -16.540 -6.684 -13.728 1.00 10.00 O ATOM 1202 NE2 GLN A 90 -16.985 -4.911 -12.440 1.00 10.00 N ATOM 0 H GLN A 90 -15.742 -7.522 -11.652 1.00 10.00 H new ATOM 0 HA GLN A 90 -17.754 -8.581 -9.926 1.00 10.00 H new ATOM 0 HB2 GLN A 90 -17.524 -8.733 -12.951 1.00 10.00 H new ATOM 0 HB3 GLN A 90 -18.980 -8.948 -12.001 1.00 10.00 H new ATOM 0 HG2 GLN A 90 -19.254 -6.763 -12.684 1.00 10.00 H new ATOM 0 HG3 GLN A 90 -18.461 -6.508 -11.143 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -17.560 -4.504 -11.702 1.00 10.00 H new ATOM 0 HE22 GLN A 90 -16.239 -4.362 -12.867 1.00 10.00 H new ATOM 1211 N THR A 91 -17.497 -11.051 -9.988 1.00 10.00 N ATOM 1212 CA THR A 91 -17.277 -12.490 -9.920 1.00 10.00 C ATOM 1213 C THR A 91 -18.188 -13.244 -10.887 1.00 10.00 C ATOM 1214 O THR A 91 -18.314 -14.466 -10.813 1.00 10.00 O ATOM 1215 CB THR A 91 -17.503 -13.023 -8.491 1.00 10.00 C ATOM 1216 OG1 THR A 91 -18.574 -12.309 -7.857 1.00 10.00 O ATOM 1217 CG2 THR A 91 -16.236 -12.890 -7.657 1.00 10.00 C ATOM 0 H THR A 91 -18.168 -10.695 -9.307 1.00 10.00 H new ATOM 0 HA THR A 91 -16.240 -12.662 -10.207 1.00 10.00 H new ATOM 0 HB THR A 91 -17.766 -14.078 -8.562 1.00 10.00 H new ATOM 0 HG1 THR A 91 -18.709 -12.658 -6.951 1.00 10.00 H new ATOM 0 HG21 THR A 91 -16.420 -13.272 -6.653 1.00 10.00 H new ATOM 0 HG22 THR A 91 -15.433 -13.462 -8.122 1.00 10.00 H new ATOM 0 HG23 THR A 91 -15.947 -11.841 -7.598 1.00 10.00 H new ATOM 1225 N GLY A 92 -18.819 -12.505 -11.790 1.00 10.00 N ATOM 1226 CA GLY A 92 -19.711 -13.117 -12.755 1.00 10.00 C ATOM 1227 C GLY A 92 -21.138 -13.168 -12.255 1.00 10.00 C ATOM 1228 O GLY A 92 -21.523 -12.371 -11.392 1.00 10.00 O ATOM 0 H GLY A 92 -18.729 -11.492 -11.871 1.00 10.00 H new ATOM 0 HA2 GLY A 92 -19.674 -12.557 -13.689 1.00 10.00 H new ATOM 0 HA3 GLY A 92 -19.368 -14.128 -12.976 1.00 10.00 H new TER 1232 GLY A 92 ATOM 1233 N ASP B 195 -13.792 6.274 14.993 1.00 10.00 N ATOM 1234 CA ASP B 195 -13.904 5.690 13.663 1.00 10.00 C ATOM 1235 C ASP B 195 -12.664 4.859 13.363 1.00 10.00 C ATOM 1236 O ASP B 195 -11.905 4.527 14.279 1.00 10.00 O ATOM 1237 CB ASP B 195 -14.071 6.784 12.607 1.00 10.00 C ATOM 1238 CG ASP B 195 -14.944 6.343 11.447 1.00 10.00 C ATOM 1239 OD1 ASP B 195 -16.014 6.950 11.229 1.00 10.00 O ATOM 1240 OD2 ASP B 195 -14.565 5.382 10.742 1.00 10.00 O ATOM 0 HA ASP B 195 -14.784 5.048 13.634 1.00 10.00 H new ATOM 0 HB2 ASP B 195 -14.508 7.668 13.071 1.00 10.00 H new ATOM 0 HB3 ASP B 195 -13.090 7.073 12.230 1.00 10.00 H new ATOM 1245 N THR B 196 -12.439 4.537 12.101 1.00 10.00 N ATOM 1246 CA THR B 196 -11.281 3.745 11.741 1.00 10.00 C ATOM 1247 C THR B 196 -10.342 4.514 10.817 1.00 10.00 C ATOM 1248 O THR B 196 -10.742 5.006 9.755 1.00 10.00 O ATOM 1249 CB THR B 196 -11.710 2.441 11.044 1.00 10.00 C ATOM 1250 OG1 THR B 196 -12.894 1.917 11.666 1.00 10.00 O ATOM 1251 CG2 THR B 196 -10.600 1.405 11.108 1.00 10.00 C ATOM 0 H THR B 196 -13.035 4.808 11.319 1.00 10.00 H new ATOM 0 HA THR B 196 -10.753 3.512 12.666 1.00 10.00 H new ATOM 0 HB THR B 196 -11.918 2.666 9.998 1.00 10.00 H new ATOM 0 HG1 THR B 196 -13.161 1.089 11.215 1.00 10.00 H new ATOM 0 HG21 THR B 196 -10.925 0.492 10.609 1.00 10.00 H new ATOM 0 HG22 THR B 196 -9.711 1.793 10.611 1.00 10.00 H new ATOM 0 HG23 THR B 196 -10.366 1.186 12.150 1.00 10.00 H new ATOM 1259 N ALA B 197 -9.098 4.627 11.247 1.00 10.00 N ATOM 1260 CA ALA B 197 -8.064 5.295 10.487 1.00 10.00 C ATOM 1261 C ALA B 197 -6.886 4.362 10.294 1.00 10.00 C ATOM 1262 O ALA B 197 -6.406 3.765 11.257 1.00 10.00 O ATOM 1263 CB ALA B 197 -7.636 6.578 11.179 1.00 10.00 C ATOM 0 H ALA B 197 -8.777 4.254 12.141 1.00 10.00 H new ATOM 0 HA ALA B 197 -8.460 5.563 9.507 1.00 10.00 H new ATOM 0 HB1 ALA B 197 -6.858 7.066 10.592 1.00 10.00 H new ATOM 0 HB2 ALA B 197 -8.493 7.245 11.271 1.00 10.00 H new ATOM 0 HB3 ALA B 197 -7.250 6.345 12.171 1.00 10.00 H new ATOM 1269 N GLY B 198 -6.420 4.229 9.072 1.00 10.00 N ATOM 1270 CA GLY B 198 -5.302 3.358 8.804 1.00 10.00 C ATOM 1271 C GLY B 198 -4.148 4.107 8.197 1.00 10.00 C ATOM 1272 O GLY B 198 -4.342 4.869 7.252 1.00 10.00 O ATOM 0 H GLY B 198 -6.796 4.710 8.255 1.00 10.00 H new ATOM 0 HA2 GLY B 198 -4.980 2.883 9.731 1.00 10.00 H new ATOM 0 HA3 GLY B 198 -5.615 2.561 8.129 1.00 10.00 H new ATOM 1276 N CYS B 199 -2.956 3.924 8.727 1.00 10.00 N ATOM 1277 CA CYS B 199 -1.801 4.611 8.178 1.00 10.00 C ATOM 1278 C CYS B 199 -0.794 3.601 7.652 1.00 10.00 C ATOM 1279 O CYS B 199 -0.362 2.695 8.372 1.00 10.00 O ATOM 1280 CB CYS B 199 -1.149 5.494 9.246 1.00 10.00 C ATOM 1281 SG CYS B 199 -2.242 5.942 10.609 1.00 10.00 S ATOM 0 H CYS B 199 -2.761 3.317 9.523 1.00 10.00 H new ATOM 0 HA CYS B 199 -2.131 5.244 7.355 1.00 10.00 H new ATOM 0 HB2 CYS B 199 -0.280 4.974 9.649 1.00 10.00 H new ATOM 0 HB3 CYS B 199 -0.784 6.406 8.773 1.00 10.00 H new ATOM 0 HG CYS B 199 -1.596 6.686 11.457 1.00 10.00 H new ATOM 1287 N ILE B 200 -0.446 3.746 6.383 1.00 10.00 N ATOM 1288 CA ILE B 200 0.517 2.867 5.739 1.00 10.00 C ATOM 1289 C ILE B 200 1.655 3.677 5.132 1.00 10.00 C ATOM 1290 O ILE B 200 1.410 4.648 4.416 1.00 10.00 O ATOM 1291 CB ILE B 200 -0.134 2.005 4.631 1.00 10.00 C ATOM 1292 CG1 ILE B 200 -1.364 1.269 5.175 1.00 10.00 C ATOM 1293 CG2 ILE B 200 0.880 1.018 4.073 1.00 10.00 C ATOM 1294 CD1 ILE B 200 -1.930 0.223 4.235 1.00 10.00 C ATOM 0 H ILE B 200 -0.821 4.473 5.773 1.00 10.00 H new ATOM 0 HA ILE B 200 0.903 2.201 6.511 1.00 10.00 H new ATOM 0 HB ILE B 200 -0.461 2.661 3.824 1.00 10.00 H new ATOM 0 HG12 ILE B 200 -1.099 0.789 6.117 1.00 10.00 H new ATOM 0 HG13 ILE B 200 -2.142 2.000 5.398 1.00 10.00 H new ATOM 0 HG21 ILE B 200 0.412 0.416 3.294 1.00 10.00 H new ATOM 0 HG22 ILE B 200 1.725 1.563 3.652 1.00 10.00 H new ATOM 0 HG23 ILE B 200 1.231 0.366 4.873 1.00 10.00 H new ATOM 0 HD11 ILE B 200 -2.797 -0.250 4.696 1.00 10.00 H new ATOM 0 HD12 ILE B 200 -2.230 0.698 3.301 1.00 10.00 H new ATOM 0 HD13 ILE B 200 -1.171 -0.532 4.031 1.00 10.00 H new ATOM 1306 N VAL B 201 2.888 3.298 5.414 1.00 10.00 N ATOM 1307 CA VAL B 201 4.036 3.984 4.850 1.00 10.00 C ATOM 1308 C VAL B 201 4.875 3.004 4.038 1.00 10.00 C ATOM 1309 O VAL B 201 5.218 1.923 4.521 1.00 10.00 O ATOM 1310 CB VAL B 201 4.910 4.662 5.934 1.00 10.00 C ATOM 1311 CG1 VAL B 201 5.219 3.708 7.078 1.00 10.00 C ATOM 1312 CG2 VAL B 201 6.195 5.191 5.320 1.00 10.00 C ATOM 0 H VAL B 201 3.120 2.519 6.030 1.00 10.00 H new ATOM 0 HA VAL B 201 3.658 4.775 4.202 1.00 10.00 H new ATOM 0 HB VAL B 201 4.344 5.498 6.345 1.00 10.00 H new ATOM 0 HG11 VAL B 201 5.834 4.217 7.820 1.00 10.00 H new ATOM 0 HG12 VAL B 201 4.288 3.381 7.541 1.00 10.00 H new ATOM 0 HG13 VAL B 201 5.757 2.841 6.694 1.00 10.00 H new ATOM 0 HG21 VAL B 201 6.800 5.665 6.093 1.00 10.00 H new ATOM 0 HG22 VAL B 201 6.753 4.366 4.878 1.00 10.00 H new ATOM 0 HG23 VAL B 201 5.955 5.922 4.548 1.00 10.00 H new ATOM 1322 N ILE B 202 5.183 3.367 2.803 1.00 10.00 N ATOM 1323 CA ILE B 202 5.977 2.509 1.938 1.00 10.00 C ATOM 1324 C ILE B 202 7.240 3.241 1.500 1.00 10.00 C ATOM 1325 O ILE B 202 7.195 4.410 1.113 1.00 10.00 O ATOM 1326 CB ILE B 202 5.183 1.974 0.711 1.00 10.00 C ATOM 1327 CG1 ILE B 202 5.011 3.042 -0.370 1.00 10.00 C ATOM 1328 CG2 ILE B 202 3.825 1.434 1.152 1.00 10.00 C ATOM 1329 CD1 ILE B 202 4.136 2.598 -1.522 1.00 10.00 C ATOM 0 H ILE B 202 4.896 4.248 2.378 1.00 10.00 H new ATOM 0 HA ILE B 202 6.252 1.630 2.520 1.00 10.00 H new ATOM 0 HB ILE B 202 5.764 1.162 0.274 1.00 10.00 H new ATOM 0 HG12 ILE B 202 4.580 3.937 0.079 1.00 10.00 H new ATOM 0 HG13 ILE B 202 5.992 3.319 -0.755 1.00 10.00 H new ATOM 0 HG21 ILE B 202 3.281 1.063 0.283 1.00 10.00 H new ATOM 0 HG22 ILE B 202 3.970 0.621 1.863 1.00 10.00 H new ATOM 0 HG23 ILE B 202 3.252 2.232 1.625 1.00 10.00 H new ATOM 0 HD11 ILE B 202 4.058 3.404 -2.251 1.00 10.00 H new ATOM 0 HD12 ILE B 202 4.577 1.721 -1.997 1.00 10.00 H new ATOM 0 HD13 ILE B 202 3.143 2.348 -1.149 1.00 10.00 H new HETATM 1341 N SEP B 203 8.368 2.555 1.595 1.00 10.00 N HETATM 1342 CA SEP B 203 9.652 3.137 1.240 1.00 10.00 C HETATM 1343 CB SEP B 203 10.613 3.112 2.427 1.00 10.00 C HETATM 1344 OG SEP B 203 10.432 4.234 3.274 1.00 10.00 O HETATM 1345 C SEP B 203 10.269 2.394 0.068 1.00 10.00 C HETATM 1346 O SEP B 203 10.267 1.164 0.025 1.00 10.00 O HETATM 1347 P SEP B 203 11.575 5.355 3.363 1.00 10.00 P HETATM 1348 O1P SEP B 203 12.693 5.162 2.416 1.00 10.00 O HETATM 1349 O2P SEP B 203 12.014 5.656 4.738 1.00 10.00 O HETATM 1350 O3P SEP B 203 10.872 6.707 2.869 1.00 10.00 O HETATM 0 HB3 SEP B 203 10.461 2.197 2.999 1.00 10.00 H new HETATM 0 HB2 SEP B 203 11.640 3.093 2.063 1.00 10.00 H new HETATM 0 HA SEP B 203 9.478 4.174 0.954 1.00 10.00 H new ATOM 1355 N ASP B 204 10.771 3.147 -0.888 1.00 10.00 N ATOM 1356 CA ASP B 204 11.376 2.570 -2.069 1.00 10.00 C ATOM 1357 C ASP B 204 12.855 2.915 -2.105 1.00 10.00 C ATOM 1358 O ASP B 204 13.236 4.066 -1.898 1.00 10.00 O ATOM 1359 CB ASP B 204 10.683 3.082 -3.330 1.00 10.00 C ATOM 1360 CG ASP B 204 10.929 2.195 -4.527 1.00 10.00 C ATOM 1361 OD1 ASP B 204 11.887 2.448 -5.286 1.00 10.00 O ATOM 1362 OD2 ASP B 204 10.157 1.235 -4.714 1.00 10.00 O ATOM 0 H ASP B 204 10.772 4.167 -0.869 1.00 10.00 H new ATOM 0 HA ASP B 204 11.261 1.487 -2.032 1.00 10.00 H new ATOM 0 HB2 ASP B 204 9.611 3.152 -3.148 1.00 10.00 H new ATOM 0 HB3 ASP B 204 11.035 4.090 -3.550 1.00 10.00 H new HETATM 1367 N SEP B 205 13.685 1.918 -2.355 1.00 10.00 N HETATM 1368 CA SEP B 205 15.124 2.119 -2.379 1.00 10.00 C HETATM 1369 CB SEP B 205 15.775 1.167 -1.364 1.00 10.00 C HETATM 1370 OG SEP B 205 15.282 -0.157 -1.523 1.00 10.00 O HETATM 1371 C SEP B 205 15.682 1.876 -3.783 1.00 10.00 C HETATM 1372 O SEP B 205 15.392 0.864 -4.427 1.00 10.00 O HETATM 1373 P SEP B 205 14.532 -0.897 -0.319 1.00 10.00 P HETATM 1374 O1P SEP B 205 14.507 -2.363 -0.445 1.00 10.00 O HETATM 1375 O2P SEP B 205 14.929 -0.426 1.019 1.00 10.00 O HETATM 1376 O3P SEP B 205 12.999 -0.469 -0.459 1.00 10.00 O HETATM 0 HB3 SEP B 205 16.857 1.175 -1.494 1.00 10.00 H new HETATM 0 HB2 SEP B 205 15.573 1.515 -0.351 1.00 10.00 H new HETATM 0 HA SEP B 205 15.351 3.150 -2.109 1.00 10.00 H new ATOM 1381 N GLU B 206 16.472 2.831 -4.255 1.00 10.00 N ATOM 1382 CA GLU B 206 17.075 2.752 -5.578 1.00 10.00 C ATOM 1383 C GLU B 206 18.553 3.114 -5.508 1.00 10.00 C ATOM 1384 O GLU B 206 19.119 3.205 -4.417 1.00 10.00 O ATOM 1385 CB GLU B 206 16.355 3.689 -6.554 1.00 10.00 C ATOM 1386 CG GLU B 206 16.730 3.466 -8.014 1.00 10.00 C ATOM 1387 CD GLU B 206 16.380 2.077 -8.516 1.00 10.00 C ATOM 1388 OE1 GLU B 206 17.104 1.118 -8.180 1.00 10.00 O ATOM 1389 OE2 GLU B 206 15.383 1.937 -9.255 1.00 10.00 O ATOM 0 H GLU B 206 16.711 3.676 -3.736 1.00 10.00 H new ATOM 0 HA GLU B 206 16.977 1.728 -5.938 1.00 10.00 H new ATOM 0 HB2 GLU B 206 15.279 3.558 -6.441 1.00 10.00 H new ATOM 0 HB3 GLU B 206 16.580 4.721 -6.285 1.00 10.00 H new ATOM 0 HG2 GLU B 206 16.221 4.207 -8.630 1.00 10.00 H new ATOM 0 HG3 GLU B 206 17.801 3.631 -8.137 1.00 10.00 H new TER 1396 GLU B 206