USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 634 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 69 ASN : amide:sc= -0.171 K(o=0.75,f=-1.5!) USER MOD Set 1.2: A 72 LYS NZ :NH3+ -169:sc= 0.922 (180deg=0.597) USER MOD Set 2.1: A 46 HIS : no HD1:sc= -2.53 K(o=-2.7,f=-5.8!) USER MOD Set 2.2: A 48 SER OG : rot -150:sc= -0.141 USER MOD Set 3.1: A 39 HIS : no HE2:sc= -8.07! C(o=-10!,f=-15!) USER MOD Set 3.2: A 43 MET CE :methyl 158:sc= -1.92 (180deg=-2.33) USER MOD Set 4.1: A 4 LYS NZ :NH3+ -148:sc= 2.84 (180deg=0.674) USER MOD Set 4.2: A 5 HIS : no HE2:sc= 0.763 K(o=3.6,f=-5.7!) USER MOD Set 5.1: A 1 MET N :NH3+ -175:sc= 0.512 (180deg=0.0521) USER MOD Set 5.2: A 17 GLN : amide:sc= 0.324 K(o=0.84,f=-2) USER MOD Single : A 1 MET CE :methyl -161:sc= -2.14 (180deg=-3.18) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 97:sc= 0.895 USER MOD Single : A 11 THR OG1 : rot 157:sc= 0.106 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -59:sc= 1.22 USER MOD Single : A 23 CYS SG : rot 69:sc= 0.349 USER MOD Single : A 24 ASN : amide:sc= 0.00219 X(o=0.0022,f=-0.22) USER MOD Single : A 27 THR OG1 : rot -38:sc= 0.0131 USER MOD Single : A 28 SER OG : rot -165:sc= 0.258 USER MOD Single : A 29 SER OG : rot 5:sc= 0.17 USER MOD Single : A 35 LYS NZ :NH3+ -133:sc= 2.47 (180deg=0.506) USER MOD Single : A 38 THR OG1 : rot 25:sc= 1.15 USER MOD Single : A 44 THR OG1 : rot -7:sc= 0.428! USER MOD Single : A 50 SER OG : rot 93:sc= 0.895 USER MOD Single : A 54 TYR OH : rot -140:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -164:sc= -0.41 (180deg=-0.751) USER MOD Single : A 63 SER OG : rot 100:sc= 1.26 USER MOD Single : A 65 SER OG : rot 180:sc= 0.124 USER MOD Single : A 70 THR OG1 : rot 52:sc= 1.11 USER MOD Single : A 73 GLN : amide:sc= 0.624 K(o=0.62,f=0) USER MOD Single : A 78 ASN : amide:sc= -0.76 K(o=-0.76,f=-4.2!) USER MOD Single : A 80 LYS NZ :NH3+ -126:sc= -1! (180deg=-3.42!) USER MOD Single : A 81 SER OG : rot -140:sc=-0.00879 USER MOD Single : A 84 LYS NZ :NH3+ -152:sc= 1.94 (180deg=0.225) USER MOD Single : A 85 GLN : amide:sc= 1.18 K(o=1.2,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.356 -0.220 10.167 1.00 0.00 N ATOM 2 CA MET A 1 -4.778 -0.656 11.454 1.00 0.00 C ATOM 3 C MET A 1 -4.869 0.476 12.450 1.00 0.00 C ATOM 4 O MET A 1 -5.957 1.026 12.594 1.00 0.00 O ATOM 5 CB MET A 1 -3.401 -1.300 11.288 1.00 0.00 C ATOM 6 CG MET A 1 -2.342 -0.598 10.456 1.00 0.00 C ATOM 7 SD MET A 1 -1.080 -1.773 9.918 1.00 0.00 S ATOM 8 CE MET A 1 -0.597 -2.518 11.507 1.00 0.00 C ATOM 0 H1 MET A 1 -5.373 -1.022 9.505 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.326 0.123 10.320 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.777 0.546 9.768 1.00 0.00 H new ATOM 0 HA MET A 1 -5.366 -1.472 11.874 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.987 -1.448 12.286 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.553 -2.289 10.856 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.805 -0.129 9.588 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.881 0.198 11.040 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.376 -2.998 11.403 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.539 -1.742 12.270 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.339 -3.261 11.801 1.00 0.00 H new ATOM 20 N GLU A 2 -3.776 0.874 13.097 1.00 0.00 N ATOM 21 CA GLU A 2 -3.466 2.282 13.041 1.00 0.00 C ATOM 22 C GLU A 2 -3.078 2.540 11.571 1.00 0.00 C ATOM 23 O GLU A 2 -3.931 2.462 10.684 1.00 0.00 O ATOM 24 CB GLU A 2 -2.432 2.705 14.117 1.00 0.00 C ATOM 25 CG GLU A 2 -1.902 1.682 15.140 1.00 0.00 C ATOM 26 CD GLU A 2 -0.812 0.788 14.546 1.00 0.00 C ATOM 27 OE1 GLU A 2 -1.163 -0.008 13.650 1.00 0.00 O ATOM 28 OE2 GLU A 2 0.366 0.909 14.960 1.00 0.00 O ATOM 0 H GLU A 2 -3.136 0.283 13.628 1.00 0.00 H new ATOM 0 HA GLU A 2 -4.307 2.923 13.305 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -1.568 3.110 13.590 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -2.874 3.525 14.682 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.505 2.209 16.007 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.726 1.062 15.493 1.00 0.00 H new ATOM 35 N LEU A 3 -1.796 2.709 11.280 1.00 0.00 N ATOM 36 CA LEU A 3 -1.157 3.014 10.059 1.00 0.00 C ATOM 37 C LEU A 3 0.170 2.311 10.145 1.00 0.00 C ATOM 38 O LEU A 3 0.168 1.096 10.026 1.00 0.00 O ATOM 39 CB LEU A 3 -1.107 4.536 9.913 1.00 0.00 C ATOM 40 CG LEU A 3 -2.159 4.962 8.896 1.00 0.00 C ATOM 41 CD1 LEU A 3 -2.293 6.489 8.850 1.00 0.00 C ATOM 42 CD2 LEU A 3 -1.769 4.373 7.552 1.00 0.00 C ATOM 0 H LEU A 3 -1.102 2.616 12.022 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.662 2.674 9.155 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.295 5.015 10.874 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.116 4.852 9.587 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.142 4.587 9.179 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.050 6.766 8.116 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.588 6.858 9.832 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.337 6.930 8.568 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.505 4.661 6.801 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.788 4.748 7.261 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.734 3.286 7.627 1.00 0.00 H new ATOM 54 N LYS A 4 1.218 3.042 10.511 1.00 0.00 N ATOM 55 CA LYS A 4 2.560 2.642 10.906 1.00 0.00 C ATOM 56 C LYS A 4 3.543 3.789 10.810 1.00 0.00 C ATOM 57 O LYS A 4 3.177 4.957 10.725 1.00 0.00 O ATOM 58 CB LYS A 4 3.038 1.353 10.217 1.00 0.00 C ATOM 59 CG LYS A 4 3.288 0.281 11.269 1.00 0.00 C ATOM 60 CD LYS A 4 2.023 -0.169 12.018 1.00 0.00 C ATOM 61 CE LYS A 4 2.216 -1.038 13.258 1.00 0.00 C ATOM 62 NZ LYS A 4 2.770 -0.289 14.404 1.00 0.00 N ATOM 0 H LYS A 4 1.132 4.058 10.540 1.00 0.00 H new ATOM 0 HA LYS A 4 2.509 2.380 11.963 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.289 1.010 9.503 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.951 1.546 9.654 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.741 -0.586 10.788 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.011 0.658 11.992 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.471 0.723 12.314 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.393 -0.716 11.317 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.258 -1.473 13.543 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.882 -1.866 13.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.364 -0.921 14.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.345 0.504 14.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.992 0.078 14.988 1.00 0.00 H new ATOM 76 N HIS A 5 4.795 3.404 10.996 1.00 0.00 N ATOM 77 CA HIS A 5 6.019 4.178 10.955 1.00 0.00 C ATOM 78 C HIS A 5 6.949 3.676 9.876 1.00 0.00 C ATOM 79 O HIS A 5 7.886 4.333 9.438 1.00 0.00 O ATOM 80 CB HIS A 5 6.715 4.106 12.319 1.00 0.00 C ATOM 81 CG HIS A 5 5.847 3.566 13.429 1.00 0.00 C ATOM 82 ND1 HIS A 5 4.758 4.193 14.000 1.00 0.00 N ATOM 83 CD2 HIS A 5 5.759 2.233 13.708 1.00 0.00 C ATOM 84 CE1 HIS A 5 4.028 3.247 14.617 1.00 0.00 C ATOM 85 NE2 HIS A 5 4.586 2.037 14.446 1.00 0.00 N ATOM 0 H HIS A 5 4.998 2.426 11.203 1.00 0.00 H new ATOM 0 HA HIS A 5 5.764 5.212 10.724 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.602 3.479 12.229 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.057 5.104 12.593 1.00 0.00 H new ATOM 0 HD1 HIS A 5 4.546 5.190 13.961 1.00 0.00 H new ATOM 0 HD2 HIS A 5 6.464 1.470 13.414 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.121 3.434 15.172 1.00 0.00 H new ATOM 93 N SER A 6 6.672 2.443 9.530 1.00 0.00 N ATOM 94 CA SER A 6 7.348 1.600 8.647 1.00 0.00 C ATOM 95 C SER A 6 6.403 0.647 7.993 1.00 0.00 C ATOM 96 O SER A 6 5.519 0.072 8.624 1.00 0.00 O ATOM 97 CB SER A 6 8.360 0.800 9.414 1.00 0.00 C ATOM 98 OG SER A 6 8.155 0.741 10.823 1.00 0.00 O ATOM 0 H SER A 6 5.858 1.973 9.927 1.00 0.00 H new ATOM 0 HA SER A 6 7.827 2.213 7.884 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.366 -0.217 9.022 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.348 1.220 9.225 1.00 0.00 H new ATOM 0 HG SER A 6 8.860 0.199 11.234 1.00 0.00 H new ATOM 104 N ILE A 7 6.837 0.273 6.806 1.00 0.00 N ATOM 105 CA ILE A 7 6.375 -0.880 6.071 1.00 0.00 C ATOM 106 C ILE A 7 6.585 -2.211 6.797 1.00 0.00 C ATOM 107 O ILE A 7 6.399 -3.276 6.221 1.00 0.00 O ATOM 108 CB ILE A 7 7.140 -0.842 4.745 1.00 0.00 C ATOM 109 CG1 ILE A 7 6.273 -1.467 3.664 1.00 0.00 C ATOM 110 CG2 ILE A 7 8.542 -1.486 4.820 1.00 0.00 C ATOM 111 CD1 ILE A 7 6.972 -1.458 2.335 1.00 0.00 C ATOM 0 H ILE A 7 7.558 0.793 6.306 1.00 0.00 H new ATOM 0 HA ILE A 7 5.294 -0.828 5.938 1.00 0.00 H new ATOM 0 HB ILE A 7 7.338 0.201 4.496 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.025 -2.492 3.940 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.333 -0.921 3.587 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.024 -1.422 3.845 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.146 -0.958 5.558 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.447 -2.532 5.110 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.328 -1.911 1.582 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.197 -0.430 2.049 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.900 -2.026 2.408 1.00 0.00 H new ATOM 123 N SER A 8 7.122 -2.168 8.004 1.00 0.00 N ATOM 124 CA SER A 8 7.781 -3.240 8.662 1.00 0.00 C ATOM 125 C SER A 8 7.409 -3.329 10.115 1.00 0.00 C ATOM 126 O SER A 8 7.642 -4.375 10.716 1.00 0.00 O ATOM 127 CB SER A 8 9.225 -3.058 8.370 1.00 0.00 C ATOM 128 OG SER A 8 10.116 -2.877 9.447 1.00 0.00 O ATOM 0 H SER A 8 7.098 -1.321 8.572 1.00 0.00 H new ATOM 0 HA SER A 8 7.469 -4.218 8.295 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.560 -3.929 7.806 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.323 -2.195 7.712 1.00 0.00 H new ATOM 0 HG SER A 8 11.028 -2.773 9.103 1.00 0.00 H new ATOM 134 N ASP A 9 6.801 -2.263 10.657 1.00 0.00 N ATOM 135 CA ASP A 9 6.035 -2.525 11.869 1.00 0.00 C ATOM 136 C ASP A 9 4.720 -3.197 11.500 1.00 0.00 C ATOM 137 O ASP A 9 4.002 -3.608 12.407 1.00 0.00 O ATOM 138 CB ASP A 9 5.734 -1.266 12.694 1.00 0.00 C ATOM 139 CG ASP A 9 6.147 -1.381 14.159 1.00 0.00 C ATOM 140 OD1 ASP A 9 7.369 -1.394 14.412 1.00 0.00 O ATOM 141 OD2 ASP A 9 5.219 -1.406 15.006 1.00 0.00 O ATOM 0 H ASP A 9 6.820 -1.303 10.313 1.00 0.00 H new ATOM 0 HA ASP A 9 6.654 -3.172 12.491 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.249 -0.416 12.246 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.666 -1.055 12.642 1.00 0.00 H new ATOM 146 N TYR A 10 4.390 -3.318 10.205 1.00 0.00 N ATOM 147 CA TYR A 10 3.207 -4.049 9.778 1.00 0.00 C ATOM 148 C TYR A 10 3.640 -5.276 8.953 1.00 0.00 C ATOM 149 O TYR A 10 4.799 -5.336 8.527 1.00 0.00 O ATOM 150 CB TYR A 10 2.180 -3.078 9.165 1.00 0.00 C ATOM 151 CG TYR A 10 2.365 -2.486 7.783 1.00 0.00 C ATOM 152 CD1 TYR A 10 3.357 -2.943 6.907 1.00 0.00 C ATOM 153 CD2 TYR A 10 1.480 -1.483 7.338 1.00 0.00 C ATOM 154 CE1 TYR A 10 3.505 -2.390 5.644 1.00 0.00 C ATOM 155 CE2 TYR A 10 1.635 -0.909 6.064 1.00 0.00 C ATOM 156 CZ TYR A 10 2.714 -1.314 5.255 1.00 0.00 C ATOM 157 OH TYR A 10 3.048 -0.706 4.100 1.00 0.00 O ATOM 0 H TYR A 10 4.933 -2.915 9.441 1.00 0.00 H new ATOM 0 HA TYR A 10 2.652 -4.486 10.608 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.221 -3.596 9.160 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.087 -2.241 9.856 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.017 -3.738 7.220 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.677 -1.153 7.980 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.236 -2.796 4.961 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.935 -0.167 5.710 1.00 0.00 H new ATOM 0 HH TYR A 10 2.495 -1.060 3.372 1.00 0.00 H new ATOM 167 N THR A 11 2.786 -6.282 8.749 1.00 0.00 N ATOM 168 CA THR A 11 3.081 -7.420 7.865 1.00 0.00 C ATOM 169 C THR A 11 2.651 -7.094 6.431 1.00 0.00 C ATOM 170 O THR A 11 2.142 -6.007 6.151 1.00 0.00 O ATOM 171 CB THR A 11 2.532 -8.770 8.380 1.00 0.00 C ATOM 172 OG1 THR A 11 1.399 -9.287 7.705 1.00 0.00 O ATOM 173 CG2 THR A 11 2.198 -8.836 9.857 1.00 0.00 C ATOM 0 H THR A 11 1.868 -6.334 9.191 1.00 0.00 H new ATOM 0 HA THR A 11 4.161 -7.566 7.867 1.00 0.00 H new ATOM 0 HB THR A 11 3.407 -9.382 8.163 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.359 -10.258 7.830 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.822 -9.830 10.101 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.095 -8.633 10.442 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.436 -8.093 10.091 1.00 0.00 H new ATOM 181 N GLU A 12 2.794 -8.053 5.514 1.00 0.00 N ATOM 182 CA GLU A 12 2.190 -7.923 4.203 1.00 0.00 C ATOM 183 C GLU A 12 0.691 -7.730 4.274 1.00 0.00 C ATOM 184 O GLU A 12 0.160 -6.832 3.643 1.00 0.00 O ATOM 185 CB GLU A 12 2.478 -9.128 3.307 1.00 0.00 C ATOM 186 CG GLU A 12 2.011 -8.742 1.896 1.00 0.00 C ATOM 187 CD GLU A 12 1.995 -9.897 0.906 1.00 0.00 C ATOM 188 OE1 GLU A 12 3.032 -10.587 0.829 1.00 0.00 O ATOM 189 OE2 GLU A 12 1.105 -9.888 0.028 1.00 0.00 O ATOM 0 H GLU A 12 3.318 -8.916 5.660 1.00 0.00 H new ATOM 0 HA GLU A 12 2.647 -7.033 3.770 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.541 -9.370 3.311 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.948 -10.012 3.663 1.00 0.00 H new ATOM 0 HG2 GLU A 12 1.008 -8.320 1.960 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.663 -7.958 1.512 1.00 0.00 H new ATOM 196 N ALA A 13 0.012 -8.606 4.990 1.00 0.00 N ATOM 197 CA ALA A 13 -1.448 -8.723 4.942 1.00 0.00 C ATOM 198 C ALA A 13 -2.078 -7.503 5.598 1.00 0.00 C ATOM 199 O ALA A 13 -3.215 -7.134 5.332 1.00 0.00 O ATOM 200 CB ALA A 13 -1.886 -10.011 5.646 1.00 0.00 C ATOM 0 H ALA A 13 0.455 -9.266 5.630 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.781 -8.769 3.905 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.972 -10.095 5.609 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.438 -10.870 5.145 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.560 -9.986 6.686 1.00 0.00 H new ATOM 206 N GLU A 14 -1.278 -6.887 6.446 1.00 0.00 N ATOM 207 CA GLU A 14 -1.463 -5.692 7.202 1.00 0.00 C ATOM 208 C GLU A 14 -1.403 -4.465 6.277 1.00 0.00 C ATOM 209 O GLU A 14 -2.300 -3.626 6.315 1.00 0.00 O ATOM 210 CB GLU A 14 -0.341 -5.786 8.251 1.00 0.00 C ATOM 211 CG GLU A 14 -0.836 -5.452 9.645 1.00 0.00 C ATOM 212 CD GLU A 14 -0.135 -6.208 10.778 1.00 0.00 C ATOM 213 OE1 GLU A 14 1.075 -5.982 10.990 1.00 0.00 O ATOM 214 OE2 GLU A 14 -0.764 -7.065 11.428 1.00 0.00 O ATOM 0 H GLU A 14 -0.357 -7.281 6.637 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.433 -5.583 7.688 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.076 -6.793 8.246 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.466 -5.105 7.980 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.713 -4.382 9.812 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.905 -5.661 9.695 1.00 0.00 H new ATOM 221 N PHE A 15 -0.430 -4.409 5.361 1.00 0.00 N ATOM 222 CA PHE A 15 -0.417 -3.409 4.282 1.00 0.00 C ATOM 223 C PHE A 15 -1.450 -3.733 3.235 1.00 0.00 C ATOM 224 O PHE A 15 -1.997 -2.825 2.621 1.00 0.00 O ATOM 225 CB PHE A 15 0.914 -3.470 3.532 1.00 0.00 C ATOM 226 CG PHE A 15 1.227 -2.360 2.530 1.00 0.00 C ATOM 227 CD1 PHE A 15 0.632 -1.081 2.623 1.00 0.00 C ATOM 228 CD2 PHE A 15 2.263 -2.559 1.594 1.00 0.00 C ATOM 229 CE1 PHE A 15 1.154 0.001 1.896 1.00 0.00 C ATOM 230 CE2 PHE A 15 2.777 -1.478 0.858 1.00 0.00 C ATOM 231 CZ PHE A 15 2.256 -0.191 1.047 1.00 0.00 C ATOM 0 H PHE A 15 0.365 -5.048 5.344 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.599 -2.442 4.750 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.714 -3.486 4.273 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.954 -4.420 3.000 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.230 -0.935 3.257 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.664 -3.550 1.442 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.708 0.980 1.990 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.574 -1.639 0.147 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.701 0.652 0.540 1.00 0.00 H new ATOM 241 N LEU A 16 -1.707 -5.016 2.985 1.00 0.00 N ATOM 242 CA LEU A 16 -2.644 -5.356 1.938 1.00 0.00 C ATOM 243 C LEU A 16 -4.006 -4.848 2.340 1.00 0.00 C ATOM 244 O LEU A 16 -4.685 -4.205 1.557 1.00 0.00 O ATOM 245 CB LEU A 16 -2.603 -6.852 1.686 1.00 0.00 C ATOM 246 CG LEU A 16 -3.525 -7.336 0.554 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.677 -6.433 -0.667 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.930 -8.628 -0.048 1.00 0.00 C ATOM 0 H LEU A 16 -1.292 -5.806 3.478 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.383 -4.882 0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.578 -7.140 1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.876 -7.370 2.606 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.493 -7.412 1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.354 -6.899 -1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.082 -5.469 -0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.703 -6.285 -1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.573 -8.984 -0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.935 -8.421 -0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.861 -9.392 0.726 1.00 0.00 H new ATOM 260 N GLN A 17 -4.317 -5.000 3.618 1.00 0.00 N ATOM 261 CA GLN A 17 -5.459 -4.502 4.293 1.00 0.00 C ATOM 262 C GLN A 17 -5.544 -3.014 4.075 1.00 0.00 C ATOM 263 O GLN A 17 -6.620 -2.468 3.951 1.00 0.00 O ATOM 264 CB GLN A 17 -5.374 -4.838 5.808 1.00 0.00 C ATOM 265 CG GLN A 17 -5.842 -3.732 6.783 1.00 0.00 C ATOM 266 CD GLN A 17 -5.475 -3.920 8.261 1.00 0.00 C ATOM 267 OE1 GLN A 17 -5.475 -2.964 9.044 1.00 0.00 O ATOM 268 NE2 GLN A 17 -5.144 -5.130 8.692 1.00 0.00 N ATOM 0 H GLN A 17 -3.709 -5.525 4.246 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.359 -4.972 3.897 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.969 -5.732 5.994 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.340 -5.088 6.045 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -5.426 -2.782 6.447 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.926 -3.649 6.709 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.144 -5.919 8.046 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.890 -5.271 9.670 1.00 0.00 H new ATOM 277 N LEU A 18 -4.406 -2.345 4.121 1.00 0.00 N ATOM 278 CA LEU A 18 -4.360 -0.918 4.112 1.00 0.00 C ATOM 279 C LEU A 18 -4.687 -0.455 2.692 1.00 0.00 C ATOM 280 O LEU A 18 -5.573 0.382 2.503 1.00 0.00 O ATOM 281 CB LEU A 18 -2.983 -0.495 4.636 1.00 0.00 C ATOM 282 CG LEU A 18 -2.907 0.995 4.960 1.00 0.00 C ATOM 283 CD1 LEU A 18 -3.912 1.390 6.047 1.00 0.00 C ATOM 284 CD2 LEU A 18 -1.500 1.412 5.360 1.00 0.00 C ATOM 0 H LEU A 18 -3.490 -2.791 4.166 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.093 -0.445 4.765 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.748 -1.070 5.532 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.225 -0.740 3.892 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.171 1.528 4.047 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.828 2.458 6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.923 1.164 5.707 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.702 0.830 6.958 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.486 2.479 5.583 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.192 0.853 6.243 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.812 1.204 4.541 1.00 0.00 H new ATOM 296 N VAL A 19 -4.102 -1.126 1.688 1.00 0.00 N ATOM 297 CA VAL A 19 -4.467 -0.861 0.290 1.00 0.00 C ATOM 298 C VAL A 19 -6.001 -1.057 0.219 1.00 0.00 C ATOM 299 O VAL A 19 -6.722 -0.266 -0.379 1.00 0.00 O ATOM 300 CB VAL A 19 -3.723 -1.756 -0.701 1.00 0.00 C ATOM 301 CG1 VAL A 19 -4.632 -2.651 -1.546 1.00 0.00 C ATOM 302 CG2 VAL A 19 -2.961 -0.849 -1.687 1.00 0.00 C ATOM 0 H VAL A 19 -3.388 -1.843 1.815 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.178 0.149 -0.001 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.079 -2.402 -0.104 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.024 -3.253 -2.222 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.206 -3.308 -0.892 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.315 -2.031 -2.127 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.421 -1.466 -2.406 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.669 -0.211 -2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.253 -0.228 -1.138 1.00 0.00 H new ATOM 312 N THR A 20 -6.498 -2.133 0.849 1.00 0.00 N ATOM 313 CA THR A 20 -7.871 -2.600 0.821 1.00 0.00 C ATOM 314 C THR A 20 -8.789 -1.675 1.629 1.00 0.00 C ATOM 315 O THR A 20 -9.973 -1.651 1.335 1.00 0.00 O ATOM 316 CB THR A 20 -7.912 -4.093 1.249 1.00 0.00 C ATOM 317 OG1 THR A 20 -8.377 -4.886 0.174 1.00 0.00 O ATOM 318 CG2 THR A 20 -8.684 -4.498 2.502 1.00 0.00 C ATOM 0 H THR A 20 -5.904 -2.730 1.425 1.00 0.00 H new ATOM 0 HA THR A 20 -8.268 -2.556 -0.193 1.00 0.00 H new ATOM 0 HB THR A 20 -6.872 -4.267 1.525 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.400 -5.827 0.447 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.604 -5.575 2.647 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.268 -3.984 3.368 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.733 -4.225 2.387 1.00 0.00 H new ATOM 326 N THR A 21 -8.281 -0.881 2.572 1.00 0.00 N ATOM 327 CA THR A 21 -8.978 0.149 3.319 1.00 0.00 C ATOM 328 C THR A 21 -9.232 1.333 2.382 1.00 0.00 C ATOM 329 O THR A 21 -10.212 2.046 2.545 1.00 0.00 O ATOM 330 CB THR A 21 -8.070 0.534 4.511 1.00 0.00 C ATOM 331 OG1 THR A 21 -8.365 -0.131 5.730 1.00 0.00 O ATOM 332 CG2 THR A 21 -7.863 2.040 4.703 1.00 0.00 C ATOM 0 H THR A 21 -7.302 -0.951 2.848 1.00 0.00 H new ATOM 0 HA THR A 21 -9.943 -0.185 3.700 1.00 0.00 H new ATOM 0 HB THR A 21 -7.102 0.144 4.197 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.287 0.067 5.996 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.214 2.211 5.561 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.402 2.461 3.809 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.826 2.521 4.875 1.00 0.00 H new ATOM 340 N ILE A 22 -8.361 1.552 1.400 1.00 0.00 N ATOM 341 CA ILE A 22 -8.425 2.650 0.434 1.00 0.00 C ATOM 342 C ILE A 22 -9.306 2.199 -0.723 1.00 0.00 C ATOM 343 O ILE A 22 -10.253 2.890 -1.083 1.00 0.00 O ATOM 344 CB ILE A 22 -7.026 3.053 -0.067 1.00 0.00 C ATOM 345 CG1 ILE A 22 -6.072 3.319 1.097 1.00 0.00 C ATOM 346 CG2 ILE A 22 -7.077 4.351 -0.877 1.00 0.00 C ATOM 347 CD1 ILE A 22 -4.653 3.617 0.623 1.00 0.00 C ATOM 0 H ILE A 22 -7.556 0.944 1.248 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.846 3.534 0.913 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.678 2.220 -0.678 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.442 4.161 1.682 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.058 2.453 1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.073 4.608 -1.216 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.728 4.216 -1.741 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.466 5.155 -0.252 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.012 3.799 1.486 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.271 2.765 0.061 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.661 4.500 -0.016 1.00 0.00 H new ATOM 359 N CYS A 23 -9.084 0.973 -1.206 1.00 0.00 N ATOM 360 CA CYS A 23 -10.055 0.263 -2.020 1.00 0.00 C ATOM 361 C CYS A 23 -11.357 0.031 -1.234 1.00 0.00 C ATOM 362 O CYS A 23 -12.298 -0.481 -1.840 1.00 0.00 O ATOM 363 CB CYS A 23 -9.476 -1.042 -2.620 1.00 0.00 C ATOM 364 SG CYS A 23 -7.836 -0.753 -3.350 1.00 0.00 S ATOM 0 H CYS A 23 -8.224 0.451 -1.039 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.300 0.894 -2.875 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.403 -1.803 -1.843 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -10.154 -1.428 -3.381 1.00 0.00 H new ATOM 0 HG CYS A 23 -6.977 -0.510 -2.405 1.00 0.00 H new ATOM 369 N ASN A 24 -11.435 0.405 0.062 1.00 0.00 N ATOM 370 CA ASN A 24 -12.737 0.393 0.774 1.00 0.00 C ATOM 371 C ASN A 24 -13.240 1.760 1.284 1.00 0.00 C ATOM 372 O ASN A 24 -14.412 1.849 1.640 1.00 0.00 O ATOM 373 CB ASN A 24 -12.772 -0.712 1.850 1.00 0.00 C ATOM 374 CG ASN A 24 -14.162 -0.931 2.454 1.00 0.00 C ATOM 375 OD1 ASN A 24 -15.102 -1.266 1.742 1.00 0.00 O ATOM 376 ND2 ASN A 24 -14.339 -0.844 3.766 1.00 0.00 N ATOM 0 H ASN A 24 -10.640 0.710 0.624 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.474 0.145 0.010 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -12.424 -1.647 1.411 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -12.074 -0.455 2.647 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -15.250 -1.055 4.173 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -13.564 -0.566 4.368 1.00 0.00 H new ATOM 383 N ALA A 25 -12.429 2.836 1.300 1.00 0.00 N ATOM 384 CA ALA A 25 -12.768 4.154 1.882 1.00 0.00 C ATOM 385 C ALA A 25 -13.283 4.019 3.319 1.00 0.00 C ATOM 386 O ALA A 25 -13.957 4.905 3.840 1.00 0.00 O ATOM 387 CB ALA A 25 -13.769 4.859 0.941 1.00 0.00 C ATOM 0 H ALA A 25 -11.492 2.814 0.897 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.874 4.772 1.959 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.031 5.833 1.353 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.314 4.991 -0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.669 4.251 0.846 1.00 0.00 H new ATOM 393 N ASP A 26 -12.787 2.976 3.982 1.00 0.00 N ATOM 394 CA ASP A 26 -12.827 2.394 5.344 1.00 0.00 C ATOM 395 C ASP A 26 -12.327 3.317 6.458 1.00 0.00 C ATOM 396 O ASP A 26 -11.813 2.952 7.511 1.00 0.00 O ATOM 397 CB ASP A 26 -11.869 1.248 5.189 1.00 0.00 C ATOM 398 CG ASP A 26 -11.941 0.125 6.205 1.00 0.00 C ATOM 399 OD1 ASP A 26 -13.050 -0.443 6.322 1.00 0.00 O ATOM 400 OD2 ASP A 26 -10.853 -0.285 6.667 1.00 0.00 O ATOM 0 H ASP A 26 -12.192 2.359 3.429 1.00 0.00 H new ATOM 0 HA ASP A 26 -13.846 2.155 5.647 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.021 0.815 4.200 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.857 1.652 5.208 1.00 0.00 H new ATOM 405 N THR A 27 -12.430 4.568 6.099 1.00 0.00 N ATOM 406 CA THR A 27 -11.736 5.730 6.581 1.00 0.00 C ATOM 407 C THR A 27 -12.628 6.871 7.061 1.00 0.00 C ATOM 408 O THR A 27 -13.856 6.776 7.101 1.00 0.00 O ATOM 409 CB THR A 27 -10.850 6.136 5.404 1.00 0.00 C ATOM 410 OG1 THR A 27 -11.638 6.676 4.374 1.00 0.00 O ATOM 411 CG2 THR A 27 -9.919 5.063 4.844 1.00 0.00 C ATOM 0 H THR A 27 -13.089 4.828 5.366 1.00 0.00 H new ATOM 0 HA THR A 27 -11.177 5.496 7.487 1.00 0.00 H new ATOM 0 HB THR A 27 -10.173 6.880 5.824 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.479 6.177 4.309 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.345 5.476 4.014 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.237 4.729 5.626 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.509 4.217 4.492 1.00 0.00 H new ATOM 419 N SER A 28 -11.982 8.005 7.353 1.00 0.00 N ATOM 420 CA SER A 28 -12.639 9.291 7.518 1.00 0.00 C ATOM 421 C SER A 28 -13.519 9.685 6.353 1.00 0.00 C ATOM 422 O SER A 28 -14.396 10.525 6.533 1.00 0.00 O ATOM 423 CB SER A 28 -11.597 10.344 7.798 1.00 0.00 C ATOM 424 OG SER A 28 -10.562 10.293 6.862 1.00 0.00 O ATOM 0 H SER A 28 -10.971 8.048 7.482 1.00 0.00 H new ATOM 0 HA SER A 28 -13.320 9.201 8.365 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.059 11.331 7.779 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.192 10.201 8.800 1.00 0.00 H new ATOM 0 HG SER A 28 -9.796 10.808 7.192 1.00 0.00 H new ATOM 430 N SER A 29 -13.237 9.069 5.203 1.00 0.00 N ATOM 431 CA SER A 29 -14.113 8.870 4.044 1.00 0.00 C ATOM 432 C SER A 29 -13.776 9.619 2.779 1.00 0.00 C ATOM 433 O SER A 29 -14.422 9.418 1.753 1.00 0.00 O ATOM 434 CB SER A 29 -15.551 9.051 4.339 1.00 0.00 C ATOM 435 OG SER A 29 -16.052 8.247 5.404 1.00 0.00 O ATOM 0 H SER A 29 -12.315 8.663 5.044 1.00 0.00 H new ATOM 0 HA SER A 29 -13.903 7.821 3.834 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.728 10.099 4.580 1.00 0.00 H new ATOM 0 HB3 SER A 29 -16.122 8.831 3.437 1.00 0.00 H new ATOM 0 HG SER A 29 -15.313 7.752 5.816 1.00 0.00 H new ATOM 441 N GLU A 30 -12.732 10.427 2.836 1.00 0.00 N ATOM 442 CA GLU A 30 -12.139 10.938 1.615 1.00 0.00 C ATOM 443 C GLU A 30 -10.675 11.322 1.807 1.00 0.00 C ATOM 444 O GLU A 30 -9.902 11.552 0.884 1.00 0.00 O ATOM 445 CB GLU A 30 -12.985 12.146 1.134 1.00 0.00 C ATOM 446 CG GLU A 30 -12.658 12.726 -0.251 1.00 0.00 C ATOM 447 CD GLU A 30 -13.561 13.929 -0.576 1.00 0.00 C ATOM 448 OE1 GLU A 30 -13.390 14.983 0.083 1.00 0.00 O ATOM 449 OE2 GLU A 30 -14.418 13.802 -1.481 1.00 0.00 O ATOM 0 H GLU A 30 -12.285 10.738 3.698 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.145 10.156 0.856 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.033 11.846 1.136 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.881 12.945 1.868 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.613 13.033 -0.282 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.787 11.955 -1.011 1.00 0.00 H new ATOM 456 N GLU A 31 -10.258 11.257 3.056 1.00 0.00 N ATOM 457 CA GLU A 31 -9.124 11.965 3.573 1.00 0.00 C ATOM 458 C GLU A 31 -7.963 11.112 3.887 1.00 0.00 C ATOM 459 O GLU A 31 -6.959 11.139 3.195 1.00 0.00 O ATOM 460 CB GLU A 31 -9.711 12.650 4.724 1.00 0.00 C ATOM 461 CG GLU A 31 -8.901 13.609 5.572 1.00 0.00 C ATOM 462 CD GLU A 31 -8.219 12.959 6.796 1.00 0.00 C ATOM 463 OE1 GLU A 31 -8.874 12.127 7.466 1.00 0.00 O ATOM 464 OE2 GLU A 31 -7.044 13.274 7.101 1.00 0.00 O ATOM 0 H GLU A 31 -10.725 10.684 3.759 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.668 12.645 2.853 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.575 13.204 4.356 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.089 11.877 5.393 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.136 14.070 4.947 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.555 14.410 5.918 1.00 0.00 H new ATOM 471 N GLU A 32 -8.223 10.286 4.878 1.00 0.00 N ATOM 472 CA GLU A 32 -7.513 9.076 5.117 1.00 0.00 C ATOM 473 C GLU A 32 -7.425 8.373 3.788 1.00 0.00 C ATOM 474 O GLU A 32 -6.441 7.767 3.533 1.00 0.00 O ATOM 475 CB GLU A 32 -8.197 8.243 6.125 1.00 0.00 C ATOM 476 CG GLU A 32 -7.812 8.598 7.556 1.00 0.00 C ATOM 477 CD GLU A 32 -6.351 8.584 8.025 1.00 0.00 C ATOM 478 OE1 GLU A 32 -5.449 8.133 7.294 1.00 0.00 O ATOM 479 OE2 GLU A 32 -6.127 9.141 9.127 1.00 0.00 O ATOM 0 H GLU A 32 -8.965 10.457 5.557 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.520 9.275 5.520 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.275 8.353 6.007 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.962 7.195 5.941 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.195 9.600 7.747 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.360 7.918 8.208 1.00 0.00 H new ATOM 486 N LEU A 33 -8.334 8.510 2.840 1.00 0.00 N ATOM 487 CA LEU A 33 -8.127 7.889 1.548 1.00 0.00 C ATOM 488 C LEU A 33 -6.937 8.444 0.783 1.00 0.00 C ATOM 489 O LEU A 33 -6.044 7.690 0.410 1.00 0.00 O ATOM 490 CB LEU A 33 -9.421 8.038 0.785 1.00 0.00 C ATOM 491 CG LEU A 33 -10.296 6.889 1.289 1.00 0.00 C ATOM 492 CD1 LEU A 33 -11.669 7.499 1.512 1.00 0.00 C ATOM 493 CD2 LEU A 33 -10.283 5.846 0.166 1.00 0.00 C ATOM 0 H LEU A 33 -9.204 9.034 2.937 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.872 6.838 1.685 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.886 9.005 0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.258 7.971 -0.291 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.969 6.412 2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.353 6.732 1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.596 8.299 2.249 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.044 7.904 0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.892 4.990 0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.689 6.287 -0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.259 5.518 -0.014 1.00 0.00 H new ATOM 505 N VAL A 34 -6.899 9.759 0.602 1.00 0.00 N ATOM 506 CA VAL A 34 -5.793 10.513 0.009 1.00 0.00 C ATOM 507 C VAL A 34 -4.505 10.331 0.821 1.00 0.00 C ATOM 508 O VAL A 34 -3.393 10.498 0.325 1.00 0.00 O ATOM 509 CB VAL A 34 -6.237 11.964 -0.123 1.00 0.00 C ATOM 510 CG1 VAL A 34 -5.128 13.007 -0.326 1.00 0.00 C ATOM 511 CG2 VAL A 34 -7.255 12.109 -1.260 1.00 0.00 C ATOM 0 H VAL A 34 -7.675 10.361 0.877 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.550 10.139 -0.986 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.670 12.186 0.852 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.572 13.999 -0.406 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.445 12.982 0.523 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.579 12.781 -1.240 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.563 13.151 -1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.801 11.790 -2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.126 11.489 -1.050 1.00 0.00 H new ATOM 521 N LYS A 35 -4.647 9.963 2.084 1.00 0.00 N ATOM 522 CA LYS A 35 -3.587 9.963 3.068 1.00 0.00 C ATOM 523 C LYS A 35 -3.046 8.568 3.309 1.00 0.00 C ATOM 524 O LYS A 35 -1.841 8.422 3.476 1.00 0.00 O ATOM 525 CB LYS A 35 -4.260 10.604 4.247 1.00 0.00 C ATOM 526 CG LYS A 35 -3.540 10.567 5.563 1.00 0.00 C ATOM 527 CD LYS A 35 -4.531 11.276 6.497 1.00 0.00 C ATOM 528 CE LYS A 35 -4.216 11.298 7.982 1.00 0.00 C ATOM 529 NZ LYS A 35 -5.442 11.694 8.707 1.00 0.00 N ATOM 0 H LYS A 35 -5.539 9.645 2.462 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.685 10.503 2.779 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.451 11.648 3.998 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.230 10.125 4.381 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.335 9.546 5.886 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.582 11.085 5.517 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.628 12.308 6.160 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.506 10.806 6.369 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.878 10.316 8.314 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.408 12.000 8.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.210 12.427 9.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.139 12.068 8.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.841 10.866 9.193 1.00 0.00 H new ATOM 543 N LEU A 36 -3.880 7.538 3.242 1.00 0.00 N ATOM 544 CA LEU A 36 -3.529 6.155 3.203 1.00 0.00 C ATOM 545 C LEU A 36 -2.883 5.888 1.869 1.00 0.00 C ATOM 546 O LEU A 36 -1.935 5.104 1.816 1.00 0.00 O ATOM 547 CB LEU A 36 -4.832 5.367 3.475 1.00 0.00 C ATOM 548 CG LEU A 36 -5.222 5.478 4.943 1.00 0.00 C ATOM 549 CD1 LEU A 36 -6.284 4.490 5.275 1.00 0.00 C ATOM 550 CD2 LEU A 36 -4.091 5.256 5.899 1.00 0.00 C ATOM 0 H LEU A 36 -4.890 7.676 3.212 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.803 5.844 3.954 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.636 5.753 2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.694 4.320 3.207 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.567 6.505 5.062 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.551 4.583 6.328 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.163 4.680 4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.917 3.482 5.081 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.455 5.353 6.922 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.682 4.256 5.753 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.312 5.997 5.719 1.00 0.00 H new ATOM 562 N VAL A 37 -3.325 6.607 0.830 1.00 0.00 N ATOM 563 CA VAL A 37 -2.662 6.627 -0.449 1.00 0.00 C ATOM 564 C VAL A 37 -1.201 6.973 -0.186 1.00 0.00 C ATOM 565 O VAL A 37 -0.306 6.223 -0.543 1.00 0.00 O ATOM 566 CB VAL A 37 -3.373 7.633 -1.395 1.00 0.00 C ATOM 567 CG1 VAL A 37 -2.464 8.460 -2.312 1.00 0.00 C ATOM 568 CG2 VAL A 37 -4.433 6.949 -2.255 1.00 0.00 C ATOM 0 H VAL A 37 -4.161 7.191 0.869 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.707 5.662 -0.955 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.824 8.337 -0.696 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.073 9.125 -2.924 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.778 9.052 -1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.894 7.792 -2.958 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.907 7.686 -2.903 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.964 6.178 -2.866 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.186 6.494 -1.611 1.00 0.00 H new ATOM 578 N THR A 38 -0.961 8.074 0.511 1.00 0.00 N ATOM 579 CA THR A 38 0.342 8.697 0.585 1.00 0.00 C ATOM 580 C THR A 38 1.215 7.947 1.573 1.00 0.00 C ATOM 581 O THR A 38 2.412 7.838 1.363 1.00 0.00 O ATOM 582 CB THR A 38 0.201 10.187 0.831 1.00 0.00 C ATOM 583 OG1 THR A 38 0.736 10.967 -0.226 1.00 0.00 O ATOM 584 CG2 THR A 38 0.791 10.697 2.151 1.00 0.00 C ATOM 0 H THR A 38 -1.679 8.562 1.046 1.00 0.00 H new ATOM 0 HA THR A 38 0.865 8.626 -0.368 1.00 0.00 H new ATOM 0 HB THR A 38 -0.880 10.313 0.890 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.725 10.445 -1.055 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.637 11.773 2.227 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.298 10.200 2.986 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.859 10.481 2.180 1.00 0.00 H new ATOM 592 N HIS A 39 0.624 7.377 2.624 1.00 0.00 N ATOM 593 CA HIS A 39 1.314 6.429 3.468 1.00 0.00 C ATOM 594 C HIS A 39 1.828 5.267 2.621 1.00 0.00 C ATOM 595 O HIS A 39 2.952 4.837 2.836 1.00 0.00 O ATOM 596 CB HIS A 39 0.383 5.918 4.546 1.00 0.00 C ATOM 597 CG HIS A 39 1.110 5.352 5.731 1.00 0.00 C ATOM 598 ND1 HIS A 39 2.016 5.989 6.546 1.00 0.00 N ATOM 599 CD2 HIS A 39 0.919 4.102 6.231 1.00 0.00 C ATOM 600 CE1 HIS A 39 2.287 5.167 7.566 1.00 0.00 C ATOM 601 NE2 HIS A 39 1.599 4.021 7.453 1.00 0.00 N ATOM 0 H HIS A 39 -0.339 7.564 2.904 1.00 0.00 H new ATOM 0 HA HIS A 39 2.160 6.924 3.945 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.261 6.732 4.877 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.265 5.150 4.124 1.00 0.00 H new ATOM 0 HD1 HIS A 39 2.410 6.919 6.400 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.345 3.312 5.768 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.968 5.395 8.372 1.00 0.00 H new ATOM 609 N PHE A 40 1.059 4.769 1.641 1.00 0.00 N ATOM 610 CA PHE A 40 1.628 3.797 0.698 1.00 0.00 C ATOM 611 C PHE A 40 2.834 4.406 -0.022 1.00 0.00 C ATOM 612 O PHE A 40 3.924 3.846 0.026 1.00 0.00 O ATOM 613 CB PHE A 40 0.597 3.274 -0.311 1.00 0.00 C ATOM 614 CG PHE A 40 1.026 2.045 -1.089 1.00 0.00 C ATOM 615 CD1 PHE A 40 2.149 2.052 -1.943 1.00 0.00 C ATOM 616 CD2 PHE A 40 0.266 0.873 -0.969 1.00 0.00 C ATOM 617 CE1 PHE A 40 2.473 0.905 -2.683 1.00 0.00 C ATOM 618 CE2 PHE A 40 0.576 -0.263 -1.732 1.00 0.00 C ATOM 619 CZ PHE A 40 1.674 -0.247 -2.602 1.00 0.00 C ATOM 0 H PHE A 40 0.081 5.011 1.484 1.00 0.00 H new ATOM 0 HA PHE A 40 1.954 2.935 1.281 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.326 3.044 0.222 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.367 4.071 -1.018 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.759 2.940 -2.027 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.567 0.844 -0.282 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.345 0.908 -3.321 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.033 -1.151 -1.648 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.904 -1.113 -3.205 1.00 0.00 H new ATOM 629 N GLU A 41 2.636 5.519 -0.723 1.00 0.00 N ATOM 630 CA GLU A 41 3.658 6.264 -1.471 1.00 0.00 C ATOM 631 C GLU A 41 4.933 6.497 -0.646 1.00 0.00 C ATOM 632 O GLU A 41 6.044 6.442 -1.178 1.00 0.00 O ATOM 633 CB GLU A 41 3.082 7.530 -2.077 1.00 0.00 C ATOM 634 CG GLU A 41 1.785 7.335 -2.881 1.00 0.00 C ATOM 635 CD GLU A 41 1.128 8.620 -3.388 1.00 0.00 C ATOM 636 OE1 GLU A 41 0.975 9.572 -2.586 1.00 0.00 O ATOM 637 OE2 GLU A 41 0.704 8.586 -4.568 1.00 0.00 O ATOM 0 H GLU A 41 1.715 5.951 -0.791 1.00 0.00 H new ATOM 0 HA GLU A 41 3.976 5.643 -2.309 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.891 8.244 -1.276 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.832 7.976 -2.729 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.001 6.695 -3.737 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.068 6.802 -2.257 1.00 0.00 H new ATOM 644 N GLU A 42 4.769 6.674 0.661 1.00 0.00 N ATOM 645 CA GLU A 42 5.789 6.921 1.656 1.00 0.00 C ATOM 646 C GLU A 42 6.589 5.658 1.900 1.00 0.00 C ATOM 647 O GLU A 42 7.810 5.590 1.741 1.00 0.00 O ATOM 648 CB GLU A 42 5.139 7.463 2.897 1.00 0.00 C ATOM 649 CG GLU A 42 5.880 7.606 4.225 1.00 0.00 C ATOM 650 CD GLU A 42 5.390 6.678 5.342 1.00 0.00 C ATOM 651 OE1 GLU A 42 4.430 7.091 6.037 1.00 0.00 O ATOM 652 OE2 GLU A 42 6.008 5.609 5.548 1.00 0.00 O ATOM 0 H GLU A 42 3.839 6.645 1.079 1.00 0.00 H new ATOM 0 HA GLU A 42 6.499 7.671 1.308 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.764 8.454 2.643 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.271 6.834 3.092 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.940 7.417 4.055 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.791 8.638 4.565 1.00 0.00 H new ATOM 659 N MET A 43 5.824 4.633 2.248 1.00 0.00 N ATOM 660 CA MET A 43 6.254 3.458 2.947 1.00 0.00 C ATOM 661 C MET A 43 7.322 2.649 2.240 1.00 0.00 C ATOM 662 O MET A 43 8.063 1.885 2.864 1.00 0.00 O ATOM 663 CB MET A 43 5.015 2.597 3.170 1.00 0.00 C ATOM 664 CG MET A 43 4.533 2.835 4.589 1.00 0.00 C ATOM 665 SD MET A 43 2.966 2.064 4.981 1.00 0.00 S ATOM 666 CE MET A 43 3.350 1.765 6.716 1.00 0.00 C ATOM 0 H MET A 43 4.828 4.611 2.031 1.00 0.00 H new ATOM 0 HA MET A 43 6.723 3.779 3.877 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.236 2.856 2.453 1.00 0.00 H new ATOM 0 HB3 MET A 43 5.250 1.543 3.018 1.00 0.00 H new ATOM 0 HG2 MET A 43 5.289 2.466 5.282 1.00 0.00 H new ATOM 0 HG3 MET A 43 4.446 3.909 4.754 1.00 0.00 H new ATOM 0 HE1 MET A 43 2.424 1.652 7.279 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.943 0.855 6.806 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.916 2.607 7.114 1.00 0.00 H new ATOM 676 N THR A 44 7.330 2.726 0.919 1.00 0.00 N ATOM 677 CA THR A 44 7.956 1.733 0.076 1.00 0.00 C ATOM 678 C THR A 44 8.905 2.369 -0.935 1.00 0.00 C ATOM 679 O THR A 44 9.551 1.610 -1.670 1.00 0.00 O ATOM 680 CB THR A 44 6.857 0.837 -0.530 1.00 0.00 C ATOM 681 OG1 THR A 44 7.331 0.098 -1.629 1.00 0.00 O ATOM 682 CG2 THR A 44 5.570 1.558 -0.912 1.00 0.00 C ATOM 0 H THR A 44 6.896 3.490 0.401 1.00 0.00 H new ATOM 0 HA THR A 44 8.606 1.084 0.662 1.00 0.00 H new ATOM 0 HB THR A 44 6.595 0.162 0.285 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.239 0.391 -1.853 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.862 0.842 -1.328 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.137 2.024 -0.027 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.789 2.325 -1.655 1.00 0.00 H new ATOM 690 N GLU A 45 8.971 3.705 -1.012 1.00 0.00 N ATOM 691 CA GLU A 45 9.646 4.430 -2.090 1.00 0.00 C ATOM 692 C GLU A 45 9.192 3.909 -3.470 1.00 0.00 C ATOM 693 O GLU A 45 9.985 3.907 -4.415 1.00 0.00 O ATOM 694 CB GLU A 45 11.169 4.314 -1.927 1.00 0.00 C ATOM 695 CG GLU A 45 11.782 4.788 -0.599 1.00 0.00 C ATOM 696 CD GLU A 45 13.140 4.105 -0.452 1.00 0.00 C ATOM 697 OE1 GLU A 45 14.062 4.385 -1.250 1.00 0.00 O ATOM 698 OE2 GLU A 45 13.207 3.048 0.215 1.00 0.00 O ATOM 0 H GLU A 45 8.550 4.319 -0.315 1.00 0.00 H new ATOM 0 HA GLU A 45 9.372 5.483 -2.030 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.443 3.269 -2.069 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.637 4.879 -2.733 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.895 5.872 -0.594 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.131 4.532 0.237 1.00 0.00 H new ATOM 705 N HIS A 46 7.981 3.336 -3.581 1.00 0.00 N ATOM 706 CA HIS A 46 7.640 2.593 -4.783 1.00 0.00 C ATOM 707 C HIS A 46 7.403 3.589 -5.920 1.00 0.00 C ATOM 708 O HIS A 46 6.528 4.440 -5.766 1.00 0.00 O ATOM 709 CB HIS A 46 6.425 1.666 -4.634 1.00 0.00 C ATOM 710 CG HIS A 46 6.139 0.919 -5.923 1.00 0.00 C ATOM 711 ND1 HIS A 46 5.429 1.419 -6.992 1.00 0.00 N ATOM 712 CD2 HIS A 46 6.600 -0.318 -6.299 1.00 0.00 C ATOM 713 CE1 HIS A 46 5.467 0.509 -7.981 1.00 0.00 C ATOM 714 NE2 HIS A 46 6.172 -0.561 -7.598 1.00 0.00 N ATOM 0 H HIS A 46 7.249 3.376 -2.871 1.00 0.00 H new ATOM 0 HA HIS A 46 8.481 1.933 -4.997 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.606 0.952 -3.830 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.551 2.252 -4.349 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.192 -0.986 -5.691 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.996 0.625 -8.946 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.360 -1.396 -8.153 1.00 0.00 H new ATOM 722 N PRO A 47 8.073 3.404 -7.072 1.00 0.00 N ATOM 723 CA PRO A 47 7.871 4.108 -8.331 1.00 0.00 C ATOM 724 C PRO A 47 6.599 4.880 -8.518 1.00 0.00 C ATOM 725 O PRO A 47 6.642 6.091 -8.699 1.00 0.00 O ATOM 726 CB PRO A 47 8.044 3.022 -9.390 1.00 0.00 C ATOM 727 CG PRO A 47 9.226 2.263 -8.804 1.00 0.00 C ATOM 728 CD PRO A 47 9.025 2.328 -7.314 1.00 0.00 C ATOM 0 HA PRO A 47 8.589 4.926 -8.386 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.157 2.396 -9.493 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.261 3.433 -10.376 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.247 1.231 -9.156 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.172 2.719 -9.096 1.00 0.00 H new ATOM 0 HD2 PRO A 47 8.645 1.380 -6.932 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.968 2.522 -6.803 1.00 0.00 H new ATOM 736 N SER A 48 5.514 4.133 -8.558 1.00 0.00 N ATOM 737 CA SER A 48 4.279 4.560 -9.125 1.00 0.00 C ATOM 738 C SER A 48 3.817 5.922 -8.617 1.00 0.00 C ATOM 739 O SER A 48 3.575 6.843 -9.383 1.00 0.00 O ATOM 740 CB SER A 48 3.290 3.490 -8.762 1.00 0.00 C ATOM 741 OG SER A 48 3.545 2.318 -9.507 1.00 0.00 O ATOM 0 H SER A 48 5.481 3.186 -8.182 1.00 0.00 H new ATOM 0 HA SER A 48 4.384 4.692 -10.202 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.353 3.273 -7.696 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.276 3.840 -8.957 1.00 0.00 H new ATOM 0 HG SER A 48 2.706 1.832 -9.649 1.00 0.00 H new ATOM 747 N GLY A 49 3.675 5.962 -7.297 1.00 0.00 N ATOM 748 CA GLY A 49 2.868 6.935 -6.570 1.00 0.00 C ATOM 749 C GLY A 49 1.430 6.935 -7.106 1.00 0.00 C ATOM 750 O GLY A 49 1.084 7.659 -8.034 1.00 0.00 O ATOM 0 H GLY A 49 4.136 5.293 -6.681 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.868 6.696 -5.506 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.303 7.929 -6.673 1.00 0.00 H new ATOM 754 N SER A 50 0.606 6.042 -6.549 1.00 0.00 N ATOM 755 CA SER A 50 -0.797 5.822 -6.909 1.00 0.00 C ATOM 756 C SER A 50 -1.056 5.232 -8.313 1.00 0.00 C ATOM 757 O SER A 50 -2.194 4.896 -8.659 1.00 0.00 O ATOM 758 CB SER A 50 -1.625 7.082 -6.633 1.00 0.00 C ATOM 759 OG SER A 50 -1.537 7.417 -5.265 1.00 0.00 O ATOM 0 H SER A 50 0.915 5.424 -5.799 1.00 0.00 H new ATOM 0 HA SER A 50 -1.136 5.020 -6.253 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.262 7.909 -7.244 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.666 6.913 -6.910 1.00 0.00 H new ATOM 0 HG SER A 50 -0.809 8.060 -5.132 1.00 0.00 H new ATOM 765 N ASP A 51 0.010 4.903 -9.039 1.00 0.00 N ATOM 766 CA ASP A 51 0.044 4.158 -10.290 1.00 0.00 C ATOM 767 C ASP A 51 0.133 2.698 -9.871 1.00 0.00 C ATOM 768 O ASP A 51 0.307 1.839 -10.723 1.00 0.00 O ATOM 769 CB ASP A 51 1.308 4.495 -11.103 1.00 0.00 C ATOM 770 CG ASP A 51 1.132 4.783 -12.593 1.00 0.00 C ATOM 771 OD1 ASP A 51 0.373 5.717 -12.922 1.00 0.00 O ATOM 772 OD2 ASP A 51 1.854 4.129 -13.377 1.00 0.00 O ATOM 0 H ASP A 51 0.947 5.174 -8.741 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.825 4.391 -10.906 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.780 5.365 -10.646 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.005 3.663 -11.001 1.00 0.00 H new ATOM 777 N LEU A 52 0.098 2.386 -8.557 1.00 0.00 N ATOM 778 CA LEU A 52 -0.276 1.068 -8.163 1.00 0.00 C ATOM 779 C LEU A 52 -1.415 1.191 -7.186 1.00 0.00 C ATOM 780 O LEU A 52 -1.423 0.492 -6.183 1.00 0.00 O ATOM 781 CB LEU A 52 0.862 0.246 -7.587 1.00 0.00 C ATOM 782 CG LEU A 52 1.907 0.935 -6.731 1.00 0.00 C ATOM 783 CD1 LEU A 52 1.463 1.818 -5.578 1.00 0.00 C ATOM 784 CD2 LEU A 52 2.754 -0.157 -6.146 1.00 0.00 C ATOM 0 H LEU A 52 0.321 3.026 -7.795 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.579 0.518 -9.054 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.422 -0.552 -6.990 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.380 -0.228 -8.421 1.00 0.00 H new ATOM 0 HG LEU A 52 2.393 1.634 -7.412 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.339 2.229 -5.076 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.848 2.633 -5.960 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.883 1.227 -4.870 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.529 0.281 -5.516 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.130 -0.819 -5.546 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.219 -0.727 -6.950 1.00 0.00 H new ATOM 796 N ILE A 53 -2.302 2.168 -7.357 1.00 0.00 N ATOM 797 CA ILE A 53 -3.425 2.280 -6.486 1.00 0.00 C ATOM 798 C ILE A 53 -4.685 2.370 -7.349 1.00 0.00 C ATOM 799 O ILE A 53 -5.621 1.620 -7.092 1.00 0.00 O ATOM 800 CB ILE A 53 -3.185 3.375 -5.469 1.00 0.00 C ATOM 801 CG1 ILE A 53 -2.048 2.927 -4.520 1.00 0.00 C ATOM 802 CG2 ILE A 53 -4.464 3.616 -4.701 1.00 0.00 C ATOM 803 CD1 ILE A 53 -2.411 1.886 -3.506 1.00 0.00 C ATOM 0 H ILE A 53 -2.250 2.877 -8.088 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.578 1.402 -5.858 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.891 4.304 -5.958 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.226 2.545 -5.125 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.675 3.805 -3.993 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.303 4.403 -3.965 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.251 3.920 -5.391 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.761 2.699 -4.192 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.538 1.650 -2.898 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.208 2.264 -2.866 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.752 0.985 -4.016 1.00 0.00 H new ATOM 815 N TYR A 54 -4.699 3.230 -8.384 1.00 0.00 N ATOM 816 CA TYR A 54 -5.838 3.288 -9.307 1.00 0.00 C ATOM 817 C TYR A 54 -5.517 3.673 -10.759 1.00 0.00 C ATOM 818 O TYR A 54 -6.382 3.501 -11.616 1.00 0.00 O ATOM 819 CB TYR A 54 -6.924 4.253 -8.832 1.00 0.00 C ATOM 820 CG TYR A 54 -6.942 4.696 -7.378 1.00 0.00 C ATOM 821 CD1 TYR A 54 -7.642 3.943 -6.417 1.00 0.00 C ATOM 822 CD2 TYR A 54 -6.252 5.861 -6.981 1.00 0.00 C ATOM 823 CE1 TYR A 54 -7.797 4.429 -5.109 1.00 0.00 C ATOM 824 CE2 TYR A 54 -6.311 6.291 -5.642 1.00 0.00 C ATOM 825 CZ TYR A 54 -7.152 5.624 -4.722 1.00 0.00 C ATOM 826 OH TYR A 54 -7.281 6.082 -3.450 1.00 0.00 O ATOM 0 H TYR A 54 -3.945 3.883 -8.597 1.00 0.00 H new ATOM 0 HA TYR A 54 -6.176 2.252 -9.300 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.856 5.150 -9.447 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.888 3.792 -9.046 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -8.062 2.986 -6.687 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.679 6.422 -7.704 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.408 3.890 -4.400 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.714 7.130 -5.318 1.00 0.00 H new ATOM 0 HH TYR A 54 -7.379 7.057 -3.462 1.00 0.00 H new ATOM 836 N TYR A 55 -4.327 4.210 -11.058 1.00 0.00 N ATOM 837 CA TYR A 55 -3.913 4.433 -12.444 1.00 0.00 C ATOM 838 C TYR A 55 -3.326 3.199 -13.196 1.00 0.00 C ATOM 839 O TYR A 55 -3.195 3.321 -14.415 1.00 0.00 O ATOM 840 CB TYR A 55 -2.950 5.630 -12.532 1.00 0.00 C ATOM 841 CG TYR A 55 -3.085 6.741 -11.493 1.00 0.00 C ATOM 842 CD1 TYR A 55 -4.345 7.244 -11.109 1.00 0.00 C ATOM 843 CD2 TYR A 55 -1.923 7.269 -10.896 1.00 0.00 C ATOM 844 CE1 TYR A 55 -4.443 8.220 -10.099 1.00 0.00 C ATOM 845 CE2 TYR A 55 -2.008 8.246 -9.892 1.00 0.00 C ATOM 846 CZ TYR A 55 -3.274 8.714 -9.476 1.00 0.00 C ATOM 847 OH TYR A 55 -3.376 9.632 -8.476 1.00 0.00 O ATOM 0 H TYR A 55 -3.639 4.496 -10.361 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.843 4.647 -12.971 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.932 5.244 -12.476 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.067 6.080 -13.518 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.239 6.879 -11.592 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.953 6.917 -11.216 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.412 8.592 -9.800 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -1.109 8.638 -9.439 1.00 0.00 H new ATOM 0 HH TYR A 55 -2.480 9.867 -8.155 1.00 0.00 H new ATOM 857 N PRO A 56 -2.975 2.037 -12.582 1.00 0.00 N ATOM 858 CA PRO A 56 -2.622 0.808 -13.319 1.00 0.00 C ATOM 859 C PRO A 56 -3.888 0.176 -13.916 1.00 0.00 C ATOM 860 O PRO A 56 -4.880 0.887 -14.082 1.00 0.00 O ATOM 861 CB PRO A 56 -1.946 -0.101 -12.282 1.00 0.00 C ATOM 862 CG PRO A 56 -2.790 0.225 -11.062 1.00 0.00 C ATOM 863 CD PRO A 56 -2.983 1.713 -11.160 1.00 0.00 C ATOM 0 HA PRO A 56 -1.954 0.991 -14.161 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.996 -1.155 -12.555 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.893 0.141 -12.138 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.742 -0.306 -11.078 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.285 -0.055 -10.137 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.924 2.014 -10.699 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.187 2.243 -10.637 1.00 0.00 H new ATOM 871 N LYS A 57 -3.837 -1.136 -14.248 1.00 0.00 N ATOM 872 CA LYS A 57 -4.930 -2.122 -14.437 1.00 0.00 C ATOM 873 C LYS A 57 -4.874 -2.832 -15.771 1.00 0.00 C ATOM 874 O LYS A 57 -5.330 -3.951 -15.984 1.00 0.00 O ATOM 875 CB LYS A 57 -6.270 -1.430 -14.351 1.00 0.00 C ATOM 876 CG LYS A 57 -7.451 -2.381 -14.503 1.00 0.00 C ATOM 877 CD LYS A 57 -8.675 -1.612 -14.056 1.00 0.00 C ATOM 878 CE LYS A 57 -8.863 -0.282 -14.823 1.00 0.00 C ATOM 879 NZ LYS A 57 -8.796 -0.438 -16.301 1.00 0.00 N ATOM 0 H LYS A 57 -2.932 -1.578 -14.407 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.801 -2.862 -13.647 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.346 -0.918 -13.392 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.326 -0.665 -15.126 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.555 -2.710 -15.537 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.311 -3.276 -13.896 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.559 -2.234 -14.195 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.597 -1.403 -12.989 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.827 0.151 -14.554 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.096 0.424 -14.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.657 0.493 -16.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.001 -1.061 -16.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.684 -0.856 -16.647 1.00 0.00 H new ATOM 893 N GLU A 58 -4.223 -2.144 -16.680 1.00 0.00 N ATOM 894 CA GLU A 58 -4.445 -2.363 -18.093 1.00 0.00 C ATOM 895 C GLU A 58 -3.758 -3.406 -18.932 1.00 0.00 C ATOM 896 O GLU A 58 -4.057 -3.713 -20.088 1.00 0.00 O ATOM 897 CB GLU A 58 -4.497 -1.032 -18.714 1.00 0.00 C ATOM 898 CG GLU A 58 -5.713 -0.966 -19.622 1.00 0.00 C ATOM 899 CD GLU A 58 -7.022 -0.735 -18.833 1.00 0.00 C ATOM 900 OE1 GLU A 58 -7.613 -1.719 -18.332 1.00 0.00 O ATOM 901 OE2 GLU A 58 -7.465 0.420 -18.639 1.00 0.00 O ATOM 0 H GLU A 58 -3.532 -1.425 -16.466 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.366 -2.946 -18.087 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.555 -0.259 -17.947 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.588 -0.846 -19.286 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.580 -0.161 -20.345 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.792 -1.894 -20.188 1.00 0.00 H new ATOM 908 N GLY A 59 -2.867 -3.990 -18.228 1.00 0.00 N ATOM 909 CA GLY A 59 -2.291 -5.270 -18.464 1.00 0.00 C ATOM 910 C GLY A 59 -1.588 -5.661 -17.163 1.00 0.00 C ATOM 911 O GLY A 59 -0.765 -6.574 -17.150 1.00 0.00 O ATOM 0 H GLY A 59 -2.482 -3.549 -17.393 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.056 -6.000 -18.729 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.585 -5.233 -19.294 1.00 0.00 H new ATOM 915 N ASP A 60 -1.943 -4.951 -16.082 1.00 0.00 N ATOM 916 CA ASP A 60 -1.160 -4.800 -14.879 1.00 0.00 C ATOM 917 C ASP A 60 -2.058 -5.040 -13.703 1.00 0.00 C ATOM 918 O ASP A 60 -3.032 -4.321 -13.516 1.00 0.00 O ATOM 919 CB ASP A 60 -0.548 -3.390 -14.886 1.00 0.00 C ATOM 920 CG ASP A 60 0.747 -3.365 -15.702 1.00 0.00 C ATOM 921 OD1 ASP A 60 1.775 -3.856 -15.180 1.00 0.00 O ATOM 922 OD2 ASP A 60 0.685 -2.888 -16.858 1.00 0.00 O ATOM 0 H ASP A 60 -2.829 -4.448 -16.036 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.342 -5.518 -14.820 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.262 -2.681 -15.306 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.345 -3.071 -13.864 1.00 0.00 H new ATOM 927 N ASP A 61 -1.751 -6.125 -12.996 1.00 0.00 N ATOM 928 CA ASP A 61 -2.531 -6.642 -11.884 1.00 0.00 C ATOM 929 C ASP A 61 -2.579 -5.643 -10.737 1.00 0.00 C ATOM 930 O ASP A 61 -1.677 -5.583 -9.905 1.00 0.00 O ATOM 931 CB ASP A 61 -2.157 -8.031 -11.423 1.00 0.00 C ATOM 932 CG ASP A 61 -2.957 -8.550 -10.211 1.00 0.00 C ATOM 933 OD1 ASP A 61 -4.107 -8.101 -9.975 1.00 0.00 O ATOM 934 OD2 ASP A 61 -2.420 -9.432 -9.496 1.00 0.00 O ATOM 0 H ASP A 61 -0.922 -6.685 -13.192 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.540 -6.766 -12.278 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.294 -8.723 -12.254 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.096 -8.041 -11.171 1.00 0.00 H new ATOM 939 N ASP A 62 -3.627 -4.842 -10.725 1.00 0.00 N ATOM 940 CA ASP A 62 -3.936 -3.789 -9.781 1.00 0.00 C ATOM 941 C ASP A 62 -5.105 -4.237 -8.891 1.00 0.00 C ATOM 942 O ASP A 62 -5.654 -3.419 -8.145 1.00 0.00 O ATOM 943 CB ASP A 62 -4.469 -2.596 -10.581 1.00 0.00 C ATOM 944 CG ASP A 62 -5.910 -2.777 -11.110 1.00 0.00 C ATOM 945 OD1 ASP A 62 -6.211 -3.877 -11.631 1.00 0.00 O ATOM 946 OD2 ASP A 62 -6.696 -1.805 -11.049 1.00 0.00 O ATOM 0 H ASP A 62 -4.348 -4.920 -11.442 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.050 -3.551 -9.192 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.435 -1.707 -9.951 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.805 -2.414 -11.426 1.00 0.00 H new ATOM 951 N SER A 63 -5.512 -5.520 -8.926 1.00 0.00 N ATOM 952 CA SER A 63 -6.421 -6.005 -7.893 1.00 0.00 C ATOM 953 C SER A 63 -5.771 -5.621 -6.562 1.00 0.00 C ATOM 954 O SER A 63 -4.541 -5.666 -6.507 1.00 0.00 O ATOM 955 CB SER A 63 -6.595 -7.526 -7.918 1.00 0.00 C ATOM 956 OG SER A 63 -6.605 -8.099 -9.211 1.00 0.00 O ATOM 0 H SER A 63 -5.236 -6.206 -9.628 1.00 0.00 H new ATOM 0 HA SER A 63 -7.409 -5.571 -8.047 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.789 -7.980 -7.341 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.529 -7.779 -7.416 1.00 0.00 H new ATOM 0 HG SER A 63 -5.723 -8.479 -9.407 1.00 0.00 H new ATOM 962 N PRO A 64 -6.489 -5.321 -5.466 1.00 0.00 N ATOM 963 CA PRO A 64 -5.883 -4.753 -4.265 1.00 0.00 C ATOM 964 C PRO A 64 -4.663 -5.540 -3.783 1.00 0.00 C ATOM 965 O PRO A 64 -3.665 -5.050 -3.290 1.00 0.00 O ATOM 966 CB PRO A 64 -7.017 -4.734 -3.251 1.00 0.00 C ATOM 967 CG PRO A 64 -8.225 -4.433 -4.141 1.00 0.00 C ATOM 968 CD PRO A 64 -7.925 -5.370 -5.307 1.00 0.00 C ATOM 0 HA PRO A 64 -5.477 -3.757 -4.443 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.118 -5.687 -2.732 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.871 -3.970 -2.488 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.172 -4.663 -3.653 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.270 -3.387 -4.446 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.264 -6.384 -5.096 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.434 -5.046 -6.215 1.00 0.00 H new ATOM 976 N SER A 65 -4.678 -6.816 -4.050 1.00 0.00 N ATOM 977 CA SER A 65 -3.587 -7.706 -3.893 1.00 0.00 C ATOM 978 C SER A 65 -2.446 -7.523 -4.839 1.00 0.00 C ATOM 979 O SER A 65 -1.349 -7.319 -4.349 1.00 0.00 O ATOM 980 CB SER A 65 -4.187 -9.075 -3.917 1.00 0.00 C ATOM 981 OG SER A 65 -5.151 -9.277 -4.948 1.00 0.00 O ATOM 0 H SER A 65 -5.513 -7.282 -4.406 1.00 0.00 H new ATOM 0 HA SER A 65 -3.081 -7.501 -2.949 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.388 -9.807 -4.035 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.657 -9.269 -2.953 1.00 0.00 H new ATOM 0 HG SER A 65 -5.495 -10.193 -4.899 1.00 0.00 H new ATOM 987 N GLY A 66 -2.683 -7.638 -6.131 1.00 0.00 N ATOM 988 CA GLY A 66 -1.817 -7.382 -7.232 1.00 0.00 C ATOM 989 C GLY A 66 -1.182 -6.017 -7.152 1.00 0.00 C ATOM 990 O GLY A 66 -0.022 -5.920 -7.520 1.00 0.00 O ATOM 0 H GLY A 66 -3.598 -7.950 -6.456 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.037 -8.143 -7.263 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.380 -7.465 -8.162 1.00 0.00 H new ATOM 994 N ILE A 67 -1.829 -4.993 -6.586 1.00 0.00 N ATOM 995 CA ILE A 67 -1.126 -3.738 -6.383 1.00 0.00 C ATOM 996 C ILE A 67 -0.126 -3.800 -5.263 1.00 0.00 C ATOM 997 O ILE A 67 1.003 -3.312 -5.357 1.00 0.00 O ATOM 998 CB ILE A 67 -1.995 -2.501 -6.146 1.00 0.00 C ATOM 999 CG1 ILE A 67 -3.093 -2.710 -5.129 1.00 0.00 C ATOM 1000 CG2 ILE A 67 -2.652 -2.029 -7.399 1.00 0.00 C ATOM 1001 CD1 ILE A 67 -4.141 -1.594 -4.984 1.00 0.00 C ATOM 0 H ILE A 67 -2.800 -5.010 -6.274 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.635 -3.615 -7.349 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.291 -1.760 -5.768 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.615 -3.633 -5.381 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.627 -2.864 -4.156 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.258 -1.149 -7.183 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.890 -1.772 -8.135 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.288 -2.820 -7.796 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.868 -1.874 -4.222 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.647 -0.667 -4.691 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.652 -1.448 -5.936 1.00 0.00 H new ATOM 1013 N VAL A 68 -0.521 -4.452 -4.186 1.00 0.00 N ATOM 1014 CA VAL A 68 0.392 -4.582 -3.058 1.00 0.00 C ATOM 1015 C VAL A 68 1.457 -5.611 -3.430 1.00 0.00 C ATOM 1016 O VAL A 68 2.553 -5.678 -2.886 1.00 0.00 O ATOM 1017 CB VAL A 68 -0.426 -4.915 -1.804 1.00 0.00 C ATOM 1018 CG1 VAL A 68 0.340 -4.739 -0.488 1.00 0.00 C ATOM 1019 CG2 VAL A 68 -1.490 -3.855 -1.587 1.00 0.00 C ATOM 0 H VAL A 68 -1.435 -4.888 -4.065 1.00 0.00 H new ATOM 0 HA VAL A 68 0.924 -3.659 -2.828 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.755 -5.938 -1.987 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.310 -4.995 0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.211 -5.394 -0.484 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.664 -3.703 -0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.068 -4.097 -0.695 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.014 -2.883 -1.459 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.153 -3.823 -2.451 1.00 0.00 H new ATOM 1029 N ASN A 69 1.129 -6.390 -4.439 1.00 0.00 N ATOM 1030 CA ASN A 69 1.947 -7.233 -5.292 1.00 0.00 C ATOM 1031 C ASN A 69 2.802 -6.481 -6.263 1.00 0.00 C ATOM 1032 O ASN A 69 3.898 -6.942 -6.531 1.00 0.00 O ATOM 1033 CB ASN A 69 1.135 -8.271 -5.977 1.00 0.00 C ATOM 1034 CG ASN A 69 1.034 -9.597 -5.226 1.00 0.00 C ATOM 1035 OD1 ASN A 69 1.884 -9.956 -4.409 1.00 0.00 O ATOM 1036 ND2 ASN A 69 -0.065 -10.304 -5.411 1.00 0.00 N ATOM 0 H ASN A 69 0.150 -6.456 -4.718 1.00 0.00 H new ATOM 0 HA ASN A 69 2.644 -7.730 -4.617 1.00 0.00 H new ATOM 0 HB2 ASN A 69 0.130 -7.881 -6.136 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.564 -8.458 -6.962 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -0.218 -11.158 -4.875 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.761 -9.996 -6.090 1.00 0.00 H new ATOM 1043 N THR A 70 2.381 -5.336 -6.759 1.00 0.00 N ATOM 1044 CA THR A 70 3.164 -4.596 -7.706 1.00 0.00 C ATOM 1045 C THR A 70 4.357 -4.054 -6.925 1.00 0.00 C ATOM 1046 O THR A 70 5.522 -4.188 -7.314 1.00 0.00 O ATOM 1047 CB THR A 70 2.316 -3.483 -8.334 1.00 0.00 C ATOM 1048 OG1 THR A 70 1.282 -4.041 -9.116 1.00 0.00 O ATOM 1049 CG2 THR A 70 3.113 -2.550 -9.250 1.00 0.00 C ATOM 0 H THR A 70 1.492 -4.901 -6.514 1.00 0.00 H new ATOM 0 HA THR A 70 3.509 -5.212 -8.537 1.00 0.00 H new ATOM 0 HB THR A 70 1.931 -2.905 -7.494 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.788 -4.699 -8.584 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.450 -1.788 -9.659 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.908 -2.071 -8.679 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.549 -3.126 -10.066 1.00 0.00 H new ATOM 1057 N VAL A 71 4.053 -3.600 -5.703 1.00 0.00 N ATOM 1058 CA VAL A 71 5.059 -3.301 -4.714 1.00 0.00 C ATOM 1059 C VAL A 71 5.962 -4.467 -4.551 1.00 0.00 C ATOM 1060 O VAL A 71 7.166 -4.304 -4.580 1.00 0.00 O ATOM 1061 CB VAL A 71 4.475 -2.867 -3.354 1.00 0.00 C ATOM 1062 CG1 VAL A 71 4.972 -3.503 -2.073 1.00 0.00 C ATOM 1063 CG2 VAL A 71 4.830 -1.418 -3.318 1.00 0.00 C ATOM 0 H VAL A 71 3.098 -3.434 -5.386 1.00 0.00 H new ATOM 0 HA VAL A 71 5.622 -2.444 -5.082 1.00 0.00 H new ATOM 0 HB VAL A 71 3.427 -3.166 -3.341 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.445 -3.070 -1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.788 -4.577 -2.105 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.041 -3.321 -1.967 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.468 -0.978 -2.389 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.913 -1.307 -3.374 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.369 -0.909 -4.164 1.00 0.00 H new ATOM 1073 N LYS A 72 5.383 -5.636 -4.376 1.00 0.00 N ATOM 1074 CA LYS A 72 6.132 -6.863 -4.104 1.00 0.00 C ATOM 1075 C LYS A 72 7.103 -7.346 -5.149 1.00 0.00 C ATOM 1076 O LYS A 72 7.632 -8.441 -5.035 1.00 0.00 O ATOM 1077 CB LYS A 72 5.149 -7.982 -3.860 1.00 0.00 C ATOM 1078 CG LYS A 72 5.507 -8.454 -2.484 1.00 0.00 C ATOM 1079 CD LYS A 72 4.877 -7.465 -1.525 1.00 0.00 C ATOM 1080 CE LYS A 72 3.651 -8.086 -0.863 1.00 0.00 C ATOM 1081 NZ LYS A 72 2.590 -8.546 -1.804 1.00 0.00 N ATOM 0 H LYS A 72 4.373 -5.772 -4.417 1.00 0.00 H new ATOM 0 HA LYS A 72 6.751 -6.596 -3.247 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.118 -7.631 -3.910 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.252 -8.777 -4.598 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.131 -9.462 -2.307 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.589 -8.489 -2.353 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.601 -7.172 -0.765 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.592 -6.559 -2.060 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.973 -8.935 -0.260 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.217 -7.356 -0.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.729 -8.778 -1.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.380 -7.790 -2.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.920 -9.391 -2.313 1.00 0.00 H new ATOM 1095 N GLN A 73 7.257 -6.553 -6.172 1.00 0.00 N ATOM 1096 CA GLN A 73 7.972 -6.778 -7.375 1.00 0.00 C ATOM 1097 C GLN A 73 9.026 -5.707 -7.570 1.00 0.00 C ATOM 1098 O GLN A 73 10.195 -6.040 -7.731 1.00 0.00 O ATOM 1099 CB GLN A 73 7.025 -7.046 -8.549 1.00 0.00 C ATOM 1100 CG GLN A 73 6.236 -8.293 -8.139 1.00 0.00 C ATOM 1101 CD GLN A 73 5.276 -8.830 -9.183 1.00 0.00 C ATOM 1102 OE1 GLN A 73 5.665 -9.513 -10.120 1.00 0.00 O ATOM 1103 NE2 GLN A 73 3.999 -8.551 -8.984 1.00 0.00 N ATOM 0 H GLN A 73 6.829 -5.627 -6.171 1.00 0.00 H new ATOM 0 HA GLN A 73 8.544 -7.704 -7.313 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.362 -6.198 -8.724 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.578 -7.214 -9.473 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.944 -9.081 -7.882 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.672 -8.064 -7.235 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.720 -7.977 -8.188 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.292 -8.910 -9.626 1.00 0.00 H new ATOM 1112 N TRP A 74 8.681 -4.436 -7.373 1.00 0.00 N ATOM 1113 CA TRP A 74 9.676 -3.395 -7.221 1.00 0.00 C ATOM 1114 C TRP A 74 10.410 -3.630 -5.919 1.00 0.00 C ATOM 1115 O TRP A 74 11.595 -3.907 -5.917 1.00 0.00 O ATOM 1116 CB TRP A 74 9.185 -1.982 -7.323 1.00 0.00 C ATOM 1117 CG TRP A 74 10.285 -1.049 -7.702 1.00 0.00 C ATOM 1118 CD1 TRP A 74 10.721 -0.814 -8.951 1.00 0.00 C ATOM 1119 CD2 TRP A 74 11.049 -0.161 -6.854 1.00 0.00 C ATOM 1120 NE1 TRP A 74 11.738 0.118 -8.938 1.00 0.00 N ATOM 1121 CE2 TRP A 74 11.934 0.609 -7.666 1.00 0.00 C ATOM 1122 CE3 TRP A 74 10.983 0.143 -5.488 1.00 0.00 C ATOM 1123 CZ2 TRP A 74 12.703 1.660 -7.146 1.00 0.00 C ATOM 1124 CZ3 TRP A 74 11.722 1.210 -4.975 1.00 0.00 C ATOM 1125 CH2 TRP A 74 12.583 1.972 -5.782 1.00 0.00 C ATOM 0 H TRP A 74 7.716 -4.109 -7.316 1.00 0.00 H new ATOM 0 HA TRP A 74 10.339 -3.480 -8.082 1.00 0.00 H new ATOM 0 HB2 TRP A 74 8.387 -1.925 -8.063 1.00 0.00 H new ATOM 0 HB3 TRP A 74 8.757 -1.674 -6.369 1.00 0.00 H new ATOM 0 HD1 TRP A 74 10.330 -1.288 -9.840 1.00 0.00 H new ATOM 0 HE1 TRP A 74 12.272 0.404 -9.758 1.00 0.00 H new ATOM 0 HE3 TRP A 74 10.361 -0.448 -4.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 13.374 2.218 -7.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 11.629 1.457 -3.928 1.00 0.00 H new ATOM 0 HH2 TRP A 74 13.147 2.790 -5.358 1.00 0.00 H new ATOM 1136 N ARG A 75 9.712 -3.642 -4.786 1.00 0.00 N ATOM 1137 CA ARG A 75 10.283 -3.941 -3.483 1.00 0.00 C ATOM 1138 C ARG A 75 10.921 -5.304 -3.376 1.00 0.00 C ATOM 1139 O ARG A 75 11.538 -5.585 -2.360 1.00 0.00 O ATOM 1140 CB ARG A 75 9.221 -3.958 -2.365 1.00 0.00 C ATOM 1141 CG ARG A 75 8.611 -2.613 -1.972 1.00 0.00 C ATOM 1142 CD ARG A 75 7.994 -2.580 -0.557 1.00 0.00 C ATOM 1143 NE ARG A 75 8.071 -3.855 0.189 1.00 0.00 N ATOM 1144 CZ ARG A 75 7.106 -4.480 0.864 1.00 0.00 C ATOM 1145 NH1 ARG A 75 5.877 -3.989 0.922 1.00 0.00 N ATOM 1146 NH2 ARG A 75 7.394 -5.607 1.495 1.00 0.00 N ATOM 0 H ARG A 75 8.713 -3.439 -4.752 1.00 0.00 H new ATOM 0 HA ARG A 75 11.021 -3.147 -3.370 1.00 0.00 H new ATOM 0 HB2 ARG A 75 8.412 -4.620 -2.675 1.00 0.00 H new ATOM 0 HB3 ARG A 75 9.671 -4.399 -1.476 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.382 -1.846 -2.036 1.00 0.00 H new ATOM 0 HG3 ARG A 75 7.840 -2.352 -2.697 1.00 0.00 H new ATOM 0 HD2 ARG A 75 8.496 -1.806 0.024 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.947 -2.288 -0.640 1.00 0.00 H new ATOM 0 HE ARG A 75 8.981 -4.316 0.187 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.654 -3.116 0.444 1.00 0.00 H new ATOM 0 HH12 ARG A 75 5.154 -4.484 1.444 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.341 -5.983 1.460 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.669 -6.099 2.017 1.00 0.00 H new ATOM 1160 N ALA A 76 10.764 -6.156 -4.365 1.00 0.00 N ATOM 1161 CA ALA A 76 11.440 -7.433 -4.357 1.00 0.00 C ATOM 1162 C ALA A 76 12.628 -7.490 -5.274 1.00 0.00 C ATOM 1163 O ALA A 76 13.556 -8.255 -5.031 1.00 0.00 O ATOM 1164 CB ALA A 76 10.450 -8.546 -4.641 1.00 0.00 C ATOM 0 H ALA A 76 10.176 -5.988 -5.182 1.00 0.00 H new ATOM 0 HA ALA A 76 11.850 -7.572 -3.357 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.968 -9.505 -4.633 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.674 -8.547 -3.876 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.995 -8.388 -5.619 1.00 0.00 H new ATOM 1170 N ALA A 77 12.628 -6.617 -6.265 1.00 0.00 N ATOM 1171 CA ALA A 77 13.712 -6.552 -7.230 1.00 0.00 C ATOM 1172 C ALA A 77 14.741 -5.517 -6.857 1.00 0.00 C ATOM 1173 O ALA A 77 15.942 -5.673 -7.044 1.00 0.00 O ATOM 1174 CB ALA A 77 13.134 -6.259 -8.616 1.00 0.00 C ATOM 0 H ALA A 77 11.884 -5.938 -6.424 1.00 0.00 H new ATOM 0 HA ALA A 77 14.221 -7.516 -7.237 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.943 -6.209 -9.345 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.442 -7.053 -8.897 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.605 -5.306 -8.596 1.00 0.00 H new ATOM 1180 N ASN A 78 14.216 -4.468 -6.267 1.00 0.00 N ATOM 1181 CA ASN A 78 14.899 -3.471 -5.510 1.00 0.00 C ATOM 1182 C ASN A 78 15.142 -3.935 -4.081 1.00 0.00 C ATOM 1183 O ASN A 78 15.877 -3.315 -3.324 1.00 0.00 O ATOM 1184 CB ASN A 78 14.003 -2.241 -5.596 1.00 0.00 C ATOM 1185 CG ASN A 78 14.842 -0.964 -5.627 1.00 0.00 C ATOM 1186 OD1 ASN A 78 15.248 -0.414 -4.614 1.00 0.00 O ATOM 1187 ND2 ASN A 78 15.152 -0.475 -6.815 1.00 0.00 N ATOM 0 H ASN A 78 13.214 -4.285 -6.315 1.00 0.00 H new ATOM 0 HA ASN A 78 15.895 -3.255 -5.896 1.00 0.00 H new ATOM 0 HB2 ASN A 78 13.384 -2.297 -6.491 1.00 0.00 H new ATOM 0 HB3 ASN A 78 13.326 -2.217 -4.742 1.00 0.00 H new ATOM 0 HD21 ASN A 78 15.731 0.362 -6.887 1.00 0.00 H new ATOM 0 HD22 ASN A 78 14.813 -0.935 -7.660 1.00 0.00 H new ATOM 1194 N GLY A 79 14.510 -5.055 -3.738 1.00 0.00 N ATOM 1195 CA GLY A 79 14.751 -5.833 -2.522 1.00 0.00 C ATOM 1196 C GLY A 79 14.367 -5.061 -1.262 1.00 0.00 C ATOM 1197 O GLY A 79 14.856 -5.356 -0.177 1.00 0.00 O ATOM 0 H GLY A 79 13.783 -5.464 -4.325 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.180 -6.761 -2.566 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.804 -6.109 -2.471 1.00 0.00 H new ATOM 1201 N LYS A 80 13.512 -4.052 -1.444 1.00 0.00 N ATOM 1202 CA LYS A 80 13.300 -2.934 -0.496 1.00 0.00 C ATOM 1203 C LYS A 80 13.238 -3.286 0.986 1.00 0.00 C ATOM 1204 O LYS A 80 13.993 -2.813 1.827 1.00 0.00 O ATOM 1205 CB LYS A 80 12.101 -2.073 -0.825 1.00 0.00 C ATOM 1206 CG LYS A 80 12.235 -1.601 -2.241 1.00 0.00 C ATOM 1207 CD LYS A 80 13.085 -0.519 -2.607 1.00 0.00 C ATOM 1208 CE LYS A 80 12.739 0.783 -1.983 1.00 0.00 C ATOM 1209 NZ LYS A 80 13.798 1.795 -2.157 1.00 0.00 N ATOM 0 H LYS A 80 12.927 -3.980 -2.276 1.00 0.00 H new ATOM 0 HA LYS A 80 14.224 -2.377 -0.649 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.179 -2.642 -0.700 1.00 0.00 H new ATOM 0 HB3 LYS A 80 12.046 -1.223 -0.145 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.555 -2.462 -2.828 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.232 -1.339 -2.579 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.110 -0.774 -2.338 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.059 -0.405 -3.691 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.811 1.155 -2.418 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.555 0.634 -0.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 14.066 2.180 -1.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.629 1.355 -2.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.447 2.564 -2.763 1.00 0.00 H new ATOM 1223 N SER A 81 12.170 -4.000 1.268 1.00 0.00 N ATOM 1224 CA SER A 81 11.497 -4.198 2.524 1.00 0.00 C ATOM 1225 C SER A 81 10.645 -5.425 2.390 1.00 0.00 C ATOM 1226 O SER A 81 10.154 -5.807 1.325 1.00 0.00 O ATOM 1227 CB SER A 81 10.651 -2.985 2.888 1.00 0.00 C ATOM 1228 OG SER A 81 10.371 -2.110 1.808 1.00 0.00 O ATOM 0 H SER A 81 11.699 -4.517 0.526 1.00 0.00 H new ATOM 0 HA SER A 81 12.224 -4.327 3.326 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.708 -3.331 3.311 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.163 -2.423 3.669 1.00 0.00 H new ATOM 0 HG SER A 81 10.429 -1.181 2.116 1.00 0.00 H new ATOM 1234 N GLY A 82 10.443 -5.984 3.561 1.00 0.00 N ATOM 1235 CA GLY A 82 10.063 -7.358 3.770 1.00 0.00 C ATOM 1236 C GLY A 82 9.227 -7.553 5.017 1.00 0.00 C ATOM 1237 O GLY A 82 9.143 -8.644 5.565 1.00 0.00 O ATOM 0 H GLY A 82 10.545 -5.466 4.434 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.503 -7.711 2.904 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.961 -7.972 3.841 1.00 0.00 H new ATOM 1241 N PHE A 83 8.596 -6.462 5.414 1.00 0.00 N ATOM 1242 CA PHE A 83 7.604 -6.321 6.406 1.00 0.00 C ATOM 1243 C PHE A 83 7.997 -6.915 7.764 1.00 0.00 C ATOM 1244 O PHE A 83 8.944 -6.512 8.434 1.00 0.00 O ATOM 1245 CB PHE A 83 6.304 -6.886 5.822 1.00 0.00 C ATOM 1246 CG PHE A 83 5.735 -6.457 4.525 1.00 0.00 C ATOM 1247 CD1 PHE A 83 4.888 -5.352 4.490 1.00 0.00 C ATOM 1248 CD2 PHE A 83 5.710 -7.383 3.482 1.00 0.00 C ATOM 1249 CE1 PHE A 83 4.145 -5.078 3.348 1.00 0.00 C ATOM 1250 CE2 PHE A 83 4.953 -7.130 2.342 1.00 0.00 C ATOM 1251 CZ PHE A 83 4.176 -5.957 2.248 1.00 0.00 C ATOM 0 H PHE A 83 8.809 -5.562 4.983 1.00 0.00 H new ATOM 0 HA PHE A 83 7.466 -5.268 6.651 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.442 -7.965 5.754 1.00 0.00 H new ATOM 0 HB3 PHE A 83 5.530 -6.710 6.569 1.00 0.00 H new ATOM 0 HD1 PHE A 83 4.808 -4.707 5.352 1.00 0.00 H new ATOM 0 HD2 PHE A 83 6.279 -8.298 3.559 1.00 0.00 H new ATOM 0 HE1 PHE A 83 3.540 -4.185 3.304 1.00 0.00 H new ATOM 0 HE2 PHE A 83 4.961 -7.836 1.525 1.00 0.00 H new ATOM 0 HZ PHE A 83 3.616 -5.737 1.351 1.00 0.00 H new ATOM 1261 N LYS A 84 7.126 -7.839 8.093 1.00 0.00 N ATOM 1262 CA LYS A 84 6.589 -8.572 9.175 1.00 0.00 C ATOM 1263 C LYS A 84 5.824 -9.696 8.508 1.00 0.00 C ATOM 1264 O LYS A 84 5.520 -9.691 7.314 1.00 0.00 O ATOM 1265 CB LYS A 84 5.788 -7.675 10.054 1.00 0.00 C ATOM 1266 CG LYS A 84 5.651 -8.240 11.459 1.00 0.00 C ATOM 1267 CD LYS A 84 5.173 -7.135 12.375 1.00 0.00 C ATOM 1268 CE LYS A 84 3.740 -6.606 12.199 1.00 0.00 C ATOM 1269 NZ LYS A 84 2.647 -7.434 12.747 1.00 0.00 N ATOM 0 H LYS A 84 6.616 -8.195 7.285 1.00 0.00 H new ATOM 0 HA LYS A 84 7.325 -8.993 9.860 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.261 -6.694 10.101 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.798 -7.531 9.622 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.945 -9.070 11.466 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.608 -8.632 11.805 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.272 -7.489 13.401 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.854 -6.292 12.261 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.683 -5.621 12.662 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.559 -6.468 11.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.779 -7.269 12.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.909 -8.439 12.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.483 -7.178 13.742 1.00 0.00 H new ATOM 1283 N GLN A 85 5.503 -10.647 9.336 1.00 0.00 N ATOM 1284 CA GLN A 85 4.927 -11.927 9.046 1.00 0.00 C ATOM 1285 C GLN A 85 3.514 -12.001 9.553 1.00 0.00 C ATOM 1286 O GLN A 85 2.510 -11.873 8.856 1.00 0.00 O ATOM 1287 CB GLN A 85 5.803 -13.030 9.602 1.00 0.00 C ATOM 1288 CG GLN A 85 6.659 -12.642 10.793 1.00 0.00 C ATOM 1289 CD GLN A 85 6.978 -13.804 11.727 1.00 0.00 C ATOM 1290 OE1 GLN A 85 7.768 -14.683 11.407 1.00 0.00 O ATOM 1291 NE2 GLN A 85 6.359 -13.831 12.896 1.00 0.00 N ATOM 0 H GLN A 85 5.655 -10.531 10.338 1.00 0.00 H new ATOM 0 HA GLN A 85 4.879 -12.065 7.966 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.166 -13.866 9.891 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.457 -13.387 8.807 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.593 -12.211 10.432 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.147 -11.864 11.359 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.704 -13.089 13.144 1.00 0.00 H new ATOM 0 HE22 GLN A 85 6.536 -14.594 13.550 1.00 0.00 H new ATOM 1300 N GLY A 86 3.581 -12.170 10.844 1.00 0.00 N ATOM 1301 CA GLY A 86 2.636 -11.981 11.894 1.00 0.00 C ATOM 1302 C GLY A 86 3.451 -11.230 12.920 1.00 0.00 C ATOM 1303 O GLY A 86 3.138 -10.045 13.141 1.00 0.00 O ATOM 1304 OXT GLY A 86 4.500 -11.789 13.314 1.00 0.00 O ATOM 0 H GLY A 86 4.460 -12.502 11.242 1.00 0.00 H new ATOM 0 HA2 GLY A 86 1.769 -11.409 11.564 1.00 0.00 H new ATOM 0 HA3 GLY A 86 2.264 -12.929 12.283 1.00 0.00 H new TER 1308 GLY A 86