USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 510 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 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 63 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 16 TYR OH : rot 43:sc= 0.178 USER MOD Set 2.2: A 42 MET CE :methyl 157:sc= -1.42 (180deg=-1.61) USER MOD Set 3.1: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 33 GLN : amide:sc= -1.44 K(o=-1.4,f=-7.5!) USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.0615 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 65:sc= 0.602 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0829 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl -142:sc= -1.99 (180deg=-2.42) USER MOD Single : A 11 THR OG1 : rot 139:sc= 0.685 USER MOD Single : A 17 TYR OH : rot 39:sc= 0.00181 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -3.11! C(o=-3.1!,f=-15!) USER MOD Single : A 25 CYS SG : rot 180:sc= 0.0947 USER MOD Single : A 27 SER OG : rot 51:sc= 0.00806 USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 38 ASN : amide:sc= -5.38! C(o=-5.4!,f=-7.8!) USER MOD Single : A 39 GLN : amide:sc= -1.78! C(o=-1.8!,f=-3!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 41 ASN : amide:sc= -0.093 K(o=-0.093,f=-1.8!) USER MOD Single : A 43 CYS SG : rot 180:sc= -1.81! USER MOD Single : A 46 TYR OH : rot 180:sc= -0.709 USER MOD Single : A 47 GLN : amide:sc= -2.95! C(o=-2.9!,f=-2.9!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.040 5.207 -16.605 1.00 0.00 N ATOM 2 CA GLY A 1 16.027 5.139 -15.569 1.00 0.00 C ATOM 3 C GLY A 1 14.669 4.741 -16.111 1.00 0.00 C ATOM 4 O GLY A 1 14.572 4.134 -17.178 1.00 0.00 O ATOM 0 H1 GLY A 1 17.908 4.739 -16.273 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.694 4.728 -17.461 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.246 6.203 -16.824 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.336 4.421 -14.809 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.949 6.109 -15.078 1.00 0.00 H new ATOM 8 N SER A 2 13.616 5.080 -15.374 1.00 0.00 N ATOM 9 CA SER A 2 12.256 4.749 -15.784 1.00 0.00 C ATOM 10 C SER A 2 11.756 5.725 -16.845 1.00 0.00 C ATOM 11 O SER A 2 12.403 6.732 -17.133 1.00 0.00 O ATOM 12 CB SER A 2 11.318 4.767 -14.576 1.00 0.00 C ATOM 13 OG SER A 2 11.355 6.022 -13.920 1.00 0.00 O ATOM 0 H SER A 2 13.679 5.584 -14.489 1.00 0.00 H new ATOM 0 HA SER A 2 12.266 3.747 -16.213 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.299 4.552 -14.899 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.604 3.980 -13.878 1.00 0.00 H new ATOM 0 HG SER A 2 10.746 6.008 -13.153 1.00 0.00 H new ATOM 19 N SER A 3 10.600 5.419 -17.424 1.00 0.00 N ATOM 20 CA SER A 3 10.013 6.266 -18.456 1.00 0.00 C ATOM 21 C SER A 3 8.570 6.621 -18.111 1.00 0.00 C ATOM 22 O SER A 3 7.693 6.609 -18.974 1.00 0.00 O ATOM 23 CB SER A 3 10.067 5.562 -19.814 1.00 0.00 C ATOM 24 OG SER A 3 9.062 4.567 -19.913 1.00 0.00 O ATOM 0 H SER A 3 10.051 4.590 -17.196 1.00 0.00 H new ATOM 0 HA SER A 3 10.593 7.188 -18.509 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.939 6.294 -20.612 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.048 5.108 -19.953 1.00 0.00 H new ATOM 0 HG SER A 3 8.179 4.991 -19.893 1.00 0.00 H new ATOM 30 N GLY A 4 8.332 6.939 -16.842 1.00 0.00 N ATOM 31 CA GLY A 4 6.995 7.294 -16.404 1.00 0.00 C ATOM 32 C GLY A 4 6.376 6.235 -15.514 1.00 0.00 C ATOM 33 O GLY A 4 5.838 5.241 -16.002 1.00 0.00 O ATOM 0 H GLY A 4 9.042 6.957 -16.110 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.032 8.241 -15.865 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.359 7.448 -17.276 1.00 0.00 H new ATOM 37 N SER A 5 6.454 6.445 -14.204 1.00 0.00 N ATOM 38 CA SER A 5 5.902 5.498 -13.243 1.00 0.00 C ATOM 39 C SER A 5 4.378 5.568 -13.226 1.00 0.00 C ATOM 40 O SER A 5 3.779 6.456 -13.832 1.00 0.00 O ATOM 41 CB SER A 5 6.452 5.779 -11.844 1.00 0.00 C ATOM 42 OG SER A 5 6.271 4.662 -10.991 1.00 0.00 O ATOM 0 H SER A 5 6.895 7.263 -13.784 1.00 0.00 H new ATOM 0 HA SER A 5 6.199 4.495 -13.547 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.512 6.023 -11.909 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.950 6.649 -11.421 1.00 0.00 H new ATOM 0 HG SER A 5 6.632 4.866 -10.103 1.00 0.00 H new ATOM 48 N SER A 6 3.756 4.624 -12.527 1.00 0.00 N ATOM 49 CA SER A 6 2.302 4.574 -12.433 1.00 0.00 C ATOM 50 C SER A 6 1.844 4.771 -10.990 1.00 0.00 C ATOM 51 O SER A 6 0.941 5.559 -10.716 1.00 0.00 O ATOM 52 CB SER A 6 1.780 3.240 -12.968 1.00 0.00 C ATOM 53 OG SER A 6 2.250 2.157 -12.184 1.00 0.00 O ATOM 0 H SER A 6 4.237 3.883 -12.017 1.00 0.00 H new ATOM 0 HA SER A 6 1.896 5.384 -13.039 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.690 3.246 -12.969 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.099 3.110 -14.002 1.00 0.00 H new ATOM 0 HG SER A 6 1.901 1.316 -12.546 1.00 0.00 H new ATOM 59 N GLY A 7 2.475 4.046 -10.072 1.00 0.00 N ATOM 60 CA GLY A 7 2.120 4.154 -8.669 1.00 0.00 C ATOM 61 C GLY A 7 2.656 5.420 -8.030 1.00 0.00 C ATOM 62 O GLY A 7 3.537 6.078 -8.585 1.00 0.00 O ATOM 0 H GLY A 7 3.226 3.386 -10.275 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.035 4.132 -8.569 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.507 3.288 -8.132 1.00 0.00 H new ATOM 66 N SER A 8 2.123 5.764 -6.862 1.00 0.00 N ATOM 67 CA SER A 8 2.550 6.963 -6.151 1.00 0.00 C ATOM 68 C SER A 8 3.315 6.598 -4.882 1.00 0.00 C ATOM 69 O SER A 8 2.812 5.869 -4.027 1.00 0.00 O ATOM 70 CB SER A 8 1.340 7.830 -5.798 1.00 0.00 C ATOM 71 OG SER A 8 0.786 8.428 -6.958 1.00 0.00 O ATOM 0 H SER A 8 1.395 5.229 -6.388 1.00 0.00 H new ATOM 0 HA SER A 8 3.214 7.527 -6.806 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.584 7.221 -5.303 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.638 8.605 -5.092 1.00 0.00 H new ATOM 0 HG SER A 8 0.013 8.976 -6.706 1.00 0.00 H new ATOM 77 N THR A 9 4.537 7.111 -4.767 1.00 0.00 N ATOM 78 CA THR A 9 5.373 6.839 -3.605 1.00 0.00 C ATOM 79 C THR A 9 4.850 7.564 -2.370 1.00 0.00 C ATOM 80 O THR A 9 4.702 8.786 -2.372 1.00 0.00 O ATOM 81 CB THR A 9 6.834 7.260 -3.853 1.00 0.00 C ATOM 82 OG1 THR A 9 7.313 6.673 -5.068 1.00 0.00 O ATOM 83 CG2 THR A 9 7.723 6.838 -2.694 1.00 0.00 C ATOM 0 H THR A 9 4.969 7.717 -5.465 1.00 0.00 H new ATOM 0 HA THR A 9 5.337 5.763 -3.434 1.00 0.00 H new ATOM 0 HB THR A 9 6.867 8.346 -3.937 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.242 6.947 -5.219 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.750 7.146 -2.892 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.373 7.310 -1.776 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.685 5.754 -2.582 1.00 0.00 H new ATOM 91 N MET A 10 4.574 6.803 -1.316 1.00 0.00 N ATOM 92 CA MET A 10 4.069 7.375 -0.073 1.00 0.00 C ATOM 93 C MET A 10 4.945 6.967 1.108 1.00 0.00 C ATOM 94 O MET A 10 5.472 5.855 1.149 1.00 0.00 O ATOM 95 CB MET A 10 2.626 6.928 0.170 1.00 0.00 C ATOM 96 CG MET A 10 1.706 7.174 -1.015 1.00 0.00 C ATOM 97 SD MET A 10 -0.032 6.918 -0.611 1.00 0.00 S ATOM 98 CE MET A 10 -0.423 8.467 0.199 1.00 0.00 C ATOM 0 H MET A 10 4.691 5.790 -1.298 1.00 0.00 H new ATOM 0 HA MET A 10 4.095 8.461 -0.165 1.00 0.00 H new ATOM 0 HB2 MET A 10 2.619 5.865 0.410 1.00 0.00 H new ATOM 0 HB3 MET A 10 2.233 7.454 1.040 1.00 0.00 H new ATOM 0 HG2 MET A 10 1.845 8.194 -1.372 1.00 0.00 H new ATOM 0 HG3 MET A 10 1.987 6.509 -1.832 1.00 0.00 H new ATOM 0 HE1 MET A 10 -1.097 8.280 1.035 1.00 0.00 H new ATOM 0 HE2 MET A 10 0.494 8.926 0.568 1.00 0.00 H new ATOM 0 HE3 MET A 10 -0.904 9.138 -0.512 1.00 0.00 H new ATOM 108 N THR A 11 5.097 7.875 2.067 1.00 0.00 N ATOM 109 CA THR A 11 5.911 7.610 3.247 1.00 0.00 C ATOM 110 C THR A 11 5.038 7.389 4.478 1.00 0.00 C ATOM 111 O THR A 11 4.170 8.204 4.791 1.00 0.00 O ATOM 112 CB THR A 11 6.888 8.767 3.527 1.00 0.00 C ATOM 113 OG1 THR A 11 7.730 8.984 2.389 1.00 0.00 O ATOM 114 CG2 THR A 11 7.745 8.469 4.748 1.00 0.00 C ATOM 0 H THR A 11 4.667 8.800 2.050 1.00 0.00 H new ATOM 0 HA THR A 11 6.481 6.704 3.041 1.00 0.00 H new ATOM 0 HB THR A 11 6.304 9.666 3.723 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.836 9.947 2.239 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.427 9.301 4.926 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.103 8.334 5.619 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.320 7.559 4.576 1.00 0.00 H new ATOM 122 N VAL A 12 5.274 6.281 5.173 1.00 0.00 N ATOM 123 CA VAL A 12 4.511 5.953 6.371 1.00 0.00 C ATOM 124 C VAL A 12 4.631 7.054 7.418 1.00 0.00 C ATOM 125 O VAL A 12 5.715 7.310 7.943 1.00 0.00 O ATOM 126 CB VAL A 12 4.979 4.621 6.988 1.00 0.00 C ATOM 127 CG1 VAL A 12 4.126 4.262 8.195 1.00 0.00 C ATOM 128 CG2 VAL A 12 4.940 3.511 5.948 1.00 0.00 C ATOM 0 H VAL A 12 5.988 5.595 4.927 1.00 0.00 H new ATOM 0 HA VAL A 12 3.469 5.858 6.066 1.00 0.00 H new ATOM 0 HB VAL A 12 6.009 4.738 7.324 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.472 3.318 8.617 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.209 5.048 8.946 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.085 4.162 7.888 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.274 2.577 6.400 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.921 3.393 5.580 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.598 3.767 5.117 1.00 0.00 H new ATOM 138 N ILE A 13 3.511 7.703 7.717 1.00 0.00 N ATOM 139 CA ILE A 13 3.490 8.777 8.702 1.00 0.00 C ATOM 140 C ILE A 13 3.286 8.227 10.110 1.00 0.00 C ATOM 141 O ILE A 13 3.690 8.845 11.095 1.00 0.00 O ATOM 142 CB ILE A 13 2.380 9.800 8.397 1.00 0.00 C ATOM 143 CG1 ILE A 13 1.033 9.092 8.240 1.00 0.00 C ATOM 144 CG2 ILE A 13 2.719 10.590 7.142 1.00 0.00 C ATOM 145 CD1 ILE A 13 -0.151 10.034 8.265 1.00 0.00 C ATOM 0 H ILE A 13 2.606 7.504 7.291 1.00 0.00 H new ATOM 0 HA ILE A 13 4.457 9.276 8.645 1.00 0.00 H new ATOM 0 HB ILE A 13 2.308 10.496 9.233 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.029 8.541 7.300 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.921 8.359 9.039 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.925 11.309 6.939 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.660 11.120 7.289 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.815 9.908 6.297 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.072 9.463 8.149 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.172 10.567 9.216 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.063 10.751 7.449 1.00 0.00 H new ATOM 157 N LYS A 14 2.657 7.060 10.198 1.00 0.00 N ATOM 158 CA LYS A 14 2.401 6.423 11.484 1.00 0.00 C ATOM 159 C LYS A 14 2.666 4.922 11.411 1.00 0.00 C ATOM 160 O LYS A 14 2.526 4.309 10.352 1.00 0.00 O ATOM 161 CB LYS A 14 0.957 6.676 11.923 1.00 0.00 C ATOM 162 CG LYS A 14 0.614 8.148 12.066 1.00 0.00 C ATOM 163 CD LYS A 14 -0.888 8.365 12.153 1.00 0.00 C ATOM 164 CE LYS A 14 -1.552 8.215 10.793 1.00 0.00 C ATOM 165 NZ LYS A 14 -3.032 8.095 10.910 1.00 0.00 N ATOM 0 H LYS A 14 2.315 6.536 9.393 1.00 0.00 H new ATOM 0 HA LYS A 14 3.079 6.858 12.218 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.281 6.223 11.198 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.783 6.177 12.876 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.093 8.549 12.959 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.014 8.700 11.215 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.320 7.648 12.851 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.091 9.360 12.550 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.305 9.076 10.171 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.155 7.334 10.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.448 7.994 9.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.268 7.259 11.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.414 8.947 11.367 1.00 0.00 H new ATOM 179 N ASP A 15 3.047 4.338 12.541 1.00 0.00 N ATOM 180 CA ASP A 15 3.329 2.908 12.605 1.00 0.00 C ATOM 181 C ASP A 15 2.084 2.093 12.268 1.00 0.00 C ATOM 182 O ASP A 15 0.959 2.576 12.400 1.00 0.00 O ATOM 183 CB ASP A 15 3.840 2.529 13.996 1.00 0.00 C ATOM 184 CG ASP A 15 4.317 1.092 14.065 1.00 0.00 C ATOM 185 OD1 ASP A 15 5.112 0.687 13.190 1.00 0.00 O ATOM 186 OD2 ASP A 15 3.897 0.372 14.995 1.00 0.00 O ATOM 0 H ASP A 15 3.168 4.832 13.425 1.00 0.00 H new ATOM 0 HA ASP A 15 4.100 2.682 11.869 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.658 3.194 14.273 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.045 2.680 14.726 1.00 0.00 H new ATOM 191 N TYR A 16 2.294 0.857 11.830 1.00 0.00 N ATOM 192 CA TYR A 16 1.189 -0.024 11.470 1.00 0.00 C ATOM 193 C TYR A 16 1.598 -1.489 11.591 1.00 0.00 C ATOM 194 O TYR A 16 2.785 -1.817 11.577 1.00 0.00 O ATOM 195 CB TYR A 16 0.719 0.269 10.045 1.00 0.00 C ATOM 196 CG TYR A 16 -0.254 -0.755 9.505 1.00 0.00 C ATOM 197 CD1 TYR A 16 0.197 -1.880 8.826 1.00 0.00 C ATOM 198 CD2 TYR A 16 -1.624 -0.596 9.673 1.00 0.00 C ATOM 199 CE1 TYR A 16 -0.688 -2.818 8.331 1.00 0.00 C ATOM 200 CE2 TYR A 16 -2.516 -1.530 9.182 1.00 0.00 C ATOM 201 CZ TYR A 16 -2.044 -2.639 8.512 1.00 0.00 C ATOM 202 OH TYR A 16 -2.929 -3.570 8.020 1.00 0.00 O ATOM 0 H TYR A 16 3.219 0.442 11.716 1.00 0.00 H new ATOM 0 HA TYR A 16 0.368 0.164 12.162 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.249 1.252 10.022 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.587 0.315 9.387 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.258 -2.024 8.683 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -1.998 0.272 10.196 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.320 -3.687 7.805 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -3.578 -1.392 9.322 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.594 -4.471 8.209 1.00 0.00 H new ATOM 212 N TYR A 17 0.607 -2.365 11.710 1.00 0.00 N ATOM 213 CA TYR A 17 0.862 -3.795 11.835 1.00 0.00 C ATOM 214 C TYR A 17 0.036 -4.587 10.826 1.00 0.00 C ATOM 215 O TYR A 17 -1.104 -4.232 10.526 1.00 0.00 O ATOM 216 CB TYR A 17 0.544 -4.269 13.255 1.00 0.00 C ATOM 217 CG TYR A 17 0.887 -3.255 14.323 1.00 0.00 C ATOM 218 CD1 TYR A 17 2.205 -2.885 14.559 1.00 0.00 C ATOM 219 CD2 TYR A 17 -0.107 -2.667 15.095 1.00 0.00 C ATOM 220 CE1 TYR A 17 2.524 -1.959 15.534 1.00 0.00 C ATOM 221 CE2 TYR A 17 0.202 -1.739 16.071 1.00 0.00 C ATOM 222 CZ TYR A 17 1.519 -1.389 16.287 1.00 0.00 C ATOM 223 OH TYR A 17 1.832 -0.466 17.259 1.00 0.00 O ATOM 0 H TYR A 17 -0.381 -2.110 11.723 1.00 0.00 H new ATOM 0 HA TYR A 17 1.918 -3.969 11.628 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.518 -4.508 13.320 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.091 -5.191 13.452 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.994 -3.329 13.970 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.139 -2.940 14.930 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.554 -1.683 15.705 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.583 -1.290 16.661 1.00 0.00 H new ATOM 0 HH TYR A 17 2.556 0.113 16.940 1.00 0.00 H new ATOM 233 N ALA A 18 0.620 -5.661 10.306 1.00 0.00 N ATOM 234 CA ALA A 18 -0.062 -6.505 9.333 1.00 0.00 C ATOM 235 C ALA A 18 -1.060 -7.435 10.015 1.00 0.00 C ATOM 236 O ALA A 18 -0.677 -8.431 10.629 1.00 0.00 O ATOM 237 CB ALA A 18 0.951 -7.311 8.532 1.00 0.00 C ATOM 0 H ALA A 18 1.564 -5.967 10.542 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.616 -5.858 8.653 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.428 -7.937 7.809 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.622 -6.632 8.006 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.529 -7.942 9.207 1.00 0.00 H new ATOM 243 N LEU A 19 -2.341 -7.102 9.906 1.00 0.00 N ATOM 244 CA LEU A 19 -3.396 -7.907 10.513 1.00 0.00 C ATOM 245 C LEU A 19 -3.613 -9.198 9.732 1.00 0.00 C ATOM 246 O LEU A 19 -4.007 -10.220 10.296 1.00 0.00 O ATOM 247 CB LEU A 19 -4.700 -7.110 10.578 1.00 0.00 C ATOM 248 CG LEU A 19 -4.915 -6.276 11.841 1.00 0.00 C ATOM 249 CD1 LEU A 19 -3.957 -5.094 11.870 1.00 0.00 C ATOM 250 CD2 LEU A 19 -6.357 -5.798 11.925 1.00 0.00 C ATOM 0 H LEU A 19 -2.675 -6.280 9.403 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.085 -8.165 11.525 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.739 -6.444 9.716 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.533 -7.806 10.480 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.710 -6.905 12.708 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.125 -4.512 12.776 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.930 -5.458 11.857 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.130 -4.464 10.997 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.492 -5.206 12.830 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.589 -5.186 11.053 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.025 -6.659 11.952 1.00 0.00 H new ATOM 262 N LYS A 20 -3.353 -9.147 8.430 1.00 0.00 N ATOM 263 CA LYS A 20 -3.517 -10.313 7.570 1.00 0.00 C ATOM 264 C LYS A 20 -2.163 -10.837 7.100 1.00 0.00 C ATOM 265 O LYS A 20 -1.122 -10.266 7.421 1.00 0.00 O ATOM 266 CB LYS A 20 -4.387 -9.962 6.361 1.00 0.00 C ATOM 267 CG LYS A 20 -5.758 -9.425 6.733 1.00 0.00 C ATOM 268 CD LYS A 20 -6.780 -10.542 6.855 1.00 0.00 C ATOM 269 CE LYS A 20 -6.862 -11.070 8.279 1.00 0.00 C ATOM 270 NZ LYS A 20 -7.233 -12.512 8.316 1.00 0.00 N ATOM 0 H LYS A 20 -3.028 -8.310 7.947 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.009 -11.095 8.149 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.868 -9.220 5.754 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.510 -10.851 5.742 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.694 -8.884 7.677 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.087 -8.711 5.978 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.759 -10.176 6.545 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.514 -11.355 6.179 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.901 -10.929 8.774 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.597 -10.492 8.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.278 -12.834 9.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.161 -12.643 7.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.519 -13.068 7.804 1.00 0.00 H new ATOM 284 N GLU A 21 -2.187 -11.926 6.338 1.00 0.00 N ATOM 285 CA GLU A 21 -0.961 -12.526 5.825 1.00 0.00 C ATOM 286 C GLU A 21 -0.368 -11.676 4.705 1.00 0.00 C ATOM 287 O GLU A 21 0.849 -11.533 4.599 1.00 0.00 O ATOM 288 CB GLU A 21 -1.235 -13.942 5.315 1.00 0.00 C ATOM 289 CG GLU A 21 -2.377 -14.020 4.316 1.00 0.00 C ATOM 290 CD GLU A 21 -2.571 -15.416 3.758 1.00 0.00 C ATOM 291 OE1 GLU A 21 -1.559 -16.115 3.541 1.00 0.00 O ATOM 292 OE2 GLU A 21 -3.736 -15.811 3.540 1.00 0.00 O ATOM 0 H GLU A 21 -3.041 -12.410 6.062 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.241 -12.575 6.642 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.330 -14.333 4.850 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.462 -14.587 6.164 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.299 -13.694 4.798 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.185 -13.329 3.496 1.00 0.00 H new ATOM 299 N ASN A 22 -1.238 -11.115 3.871 1.00 0.00 N ATOM 300 CA ASN A 22 -0.800 -10.280 2.759 1.00 0.00 C ATOM 301 C ASN A 22 -0.249 -8.949 3.261 1.00 0.00 C ATOM 302 O ASN A 22 0.690 -8.399 2.686 1.00 0.00 O ATOM 303 CB ASN A 22 -1.961 -10.032 1.793 1.00 0.00 C ATOM 304 CG ASN A 22 -3.190 -9.486 2.494 1.00 0.00 C ATOM 305 OD1 ASN A 22 -3.160 -9.200 3.691 1.00 0.00 O ATOM 306 ND2 ASN A 22 -4.280 -9.341 1.750 1.00 0.00 N ATOM 0 H ASN A 22 -2.250 -11.224 3.944 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.004 -10.807 2.233 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.644 -9.330 1.021 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.217 -10.965 1.290 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.138 -8.980 2.167 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.260 -9.591 0.761 1.00 0.00 H new ATOM 313 N GLU A 23 -0.839 -8.438 4.337 1.00 0.00 N ATOM 314 CA GLU A 23 -0.406 -7.172 4.916 1.00 0.00 C ATOM 315 C GLU A 23 0.996 -7.294 5.506 1.00 0.00 C ATOM 316 O GLU A 23 1.398 -8.366 5.961 1.00 0.00 O ATOM 317 CB GLU A 23 -1.389 -6.718 5.998 1.00 0.00 C ATOM 318 CG GLU A 23 -2.783 -6.428 5.470 1.00 0.00 C ATOM 319 CD GLU A 23 -3.850 -6.552 6.541 1.00 0.00 C ATOM 320 OE1 GLU A 23 -3.518 -6.378 7.732 1.00 0.00 O ATOM 321 OE2 GLU A 23 -5.017 -6.822 6.187 1.00 0.00 O ATOM 0 H GLU A 23 -1.618 -8.881 4.825 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.383 -6.427 4.120 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.453 -7.489 6.765 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.998 -5.822 6.479 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.807 -5.421 5.053 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.009 -7.116 4.655 1.00 0.00 H new ATOM 328 N ILE A 24 1.735 -6.190 5.494 1.00 0.00 N ATOM 329 CA ILE A 24 3.091 -6.173 6.028 1.00 0.00 C ATOM 330 C ILE A 24 3.241 -5.115 7.116 1.00 0.00 C ATOM 331 O ILE A 24 2.516 -4.119 7.131 1.00 0.00 O ATOM 332 CB ILE A 24 4.129 -5.906 4.921 1.00 0.00 C ATOM 333 CG1 ILE A 24 3.959 -4.491 4.364 1.00 0.00 C ATOM 334 CG2 ILE A 24 3.996 -6.938 3.811 1.00 0.00 C ATOM 335 CD1 ILE A 24 5.091 -4.059 3.458 1.00 0.00 C ATOM 0 H ILE A 24 1.417 -5.296 5.120 1.00 0.00 H new ATOM 0 HA ILE A 24 3.273 -7.159 6.456 1.00 0.00 H new ATOM 0 HB ILE A 24 5.127 -5.990 5.350 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.021 -4.437 3.811 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.881 -3.789 5.194 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.736 -6.736 3.036 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.161 -7.935 4.219 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.996 -6.883 3.381 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.904 -3.047 3.100 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.029 -4.081 4.012 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.156 -4.738 2.608 1.00 0.00 H new ATOM 347 N CYS A 25 4.186 -5.336 8.023 1.00 0.00 N ATOM 348 CA CYS A 25 4.432 -4.401 9.114 1.00 0.00 C ATOM 349 C CYS A 25 5.277 -3.223 8.641 1.00 0.00 C ATOM 350 O CYS A 25 6.226 -3.394 7.876 1.00 0.00 O ATOM 351 CB CYS A 25 5.130 -5.112 10.275 1.00 0.00 C ATOM 352 SG CYS A 25 4.114 -6.365 11.091 1.00 0.00 S ATOM 0 H CYS A 25 4.794 -6.155 8.024 1.00 0.00 H new ATOM 0 HA CYS A 25 3.470 -4.020 9.457 1.00 0.00 H new ATOM 0 HB2 CYS A 25 6.040 -5.583 9.904 1.00 0.00 H new ATOM 0 HB3 CYS A 25 5.433 -4.369 11.012 1.00 0.00 H new ATOM 0 HG CYS A 25 4.791 -6.911 12.057 1.00 0.00 H new ATOM 358 N VAL A 26 4.925 -2.026 9.100 1.00 0.00 N ATOM 359 CA VAL A 26 5.651 -0.819 8.723 1.00 0.00 C ATOM 360 C VAL A 26 5.720 0.165 9.885 1.00 0.00 C ATOM 361 O VAL A 26 4.944 0.075 10.836 1.00 0.00 O ATOM 362 CB VAL A 26 4.995 -0.124 7.514 1.00 0.00 C ATOM 363 CG1 VAL A 26 4.977 -1.053 6.310 1.00 0.00 C ATOM 364 CG2 VAL A 26 3.588 0.337 7.864 1.00 0.00 C ATOM 0 H VAL A 26 4.142 -1.866 9.733 1.00 0.00 H new ATOM 0 HA VAL A 26 6.660 -1.128 8.451 1.00 0.00 H new ATOM 0 HB VAL A 26 5.587 0.754 7.256 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.510 -0.546 5.466 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.998 -1.329 6.048 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.409 -1.951 6.552 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.140 0.826 6.999 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.983 -0.524 8.148 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.632 1.040 8.696 1.00 0.00 H new ATOM 374 N SER A 27 6.656 1.106 9.801 1.00 0.00 N ATOM 375 CA SER A 27 6.830 2.107 10.847 1.00 0.00 C ATOM 376 C SER A 27 6.905 3.509 10.251 1.00 0.00 C ATOM 377 O SER A 27 7.176 3.675 9.062 1.00 0.00 O ATOM 378 CB SER A 27 8.095 1.815 11.656 1.00 0.00 C ATOM 379 OG SER A 27 7.956 2.253 12.996 1.00 0.00 O ATOM 0 H SER A 27 7.305 1.196 9.019 1.00 0.00 H new ATOM 0 HA SER A 27 5.965 2.059 11.509 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.302 0.745 11.640 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.948 2.312 11.194 1.00 0.00 H new ATOM 0 HG SER A 27 7.122 1.899 13.371 1.00 0.00 H new ATOM 385 N GLN A 28 6.664 4.514 11.087 1.00 0.00 N ATOM 386 CA GLN A 28 6.704 5.902 10.642 1.00 0.00 C ATOM 387 C GLN A 28 8.078 6.254 10.080 1.00 0.00 C ATOM 388 O GLN A 28 9.053 6.366 10.821 1.00 0.00 O ATOM 389 CB GLN A 28 6.358 6.840 11.800 1.00 0.00 C ATOM 390 CG GLN A 28 6.843 8.266 11.593 1.00 0.00 C ATOM 391 CD GLN A 28 6.428 9.193 12.719 1.00 0.00 C ATOM 392 OE1 GLN A 28 6.025 8.743 13.792 1.00 0.00 O ATOM 393 NE2 GLN A 28 6.525 10.495 12.480 1.00 0.00 N ATOM 0 H GLN A 28 6.439 4.393 12.075 1.00 0.00 H new ATOM 0 HA GLN A 28 5.965 6.025 9.850 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.277 6.849 11.939 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.794 6.446 12.718 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.930 8.267 11.508 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.449 8.646 10.650 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.864 10.824 11.576 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.260 11.167 13.200 1.00 0.00 H new ATOM 402 N GLY A 29 8.146 6.427 8.763 1.00 0.00 N ATOM 403 CA GLY A 29 9.404 6.765 8.124 1.00 0.00 C ATOM 404 C GLY A 29 9.657 5.945 6.874 1.00 0.00 C ATOM 405 O GLY A 29 10.295 6.417 5.934 1.00 0.00 O ATOM 0 H GLY A 29 7.353 6.339 8.128 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.404 7.824 7.866 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.220 6.608 8.829 1.00 0.00 H new ATOM 409 N GLU A 30 9.157 4.713 6.864 1.00 0.00 N ATOM 410 CA GLU A 30 9.336 3.826 5.721 1.00 0.00 C ATOM 411 C GLU A 30 8.678 4.408 4.473 1.00 0.00 C ATOM 412 O GLU A 30 7.682 5.126 4.560 1.00 0.00 O ATOM 413 CB GLU A 30 8.750 2.445 6.022 1.00 0.00 C ATOM 414 CG GLU A 30 9.644 1.582 6.897 1.00 0.00 C ATOM 415 CD GLU A 30 9.476 0.101 6.620 1.00 0.00 C ATOM 416 OE1 GLU A 30 8.500 -0.491 7.126 1.00 0.00 O ATOM 417 OE2 GLU A 30 10.321 -0.466 5.896 1.00 0.00 O ATOM 0 H GLU A 30 8.625 4.307 7.634 1.00 0.00 H new ATOM 0 HA GLU A 30 10.405 3.726 5.535 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.785 2.568 6.513 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.565 1.925 5.082 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.685 1.862 6.735 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.420 1.780 7.945 1.00 0.00 H new ATOM 424 N VAL A 31 9.245 4.095 3.312 1.00 0.00 N ATOM 425 CA VAL A 31 8.715 4.585 2.045 1.00 0.00 C ATOM 426 C VAL A 31 8.295 3.432 1.142 1.00 0.00 C ATOM 427 O VAL A 31 9.107 2.576 0.790 1.00 0.00 O ATOM 428 CB VAL A 31 9.748 5.454 1.304 1.00 0.00 C ATOM 429 CG1 VAL A 31 9.126 6.085 0.067 1.00 0.00 C ATOM 430 CG2 VAL A 31 10.310 6.521 2.231 1.00 0.00 C ATOM 0 H VAL A 31 10.072 3.504 3.223 1.00 0.00 H new ATOM 0 HA VAL A 31 7.842 5.193 2.281 1.00 0.00 H new ATOM 0 HB VAL A 31 10.570 4.815 0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.871 6.695 -0.444 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.777 5.301 -0.605 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.284 6.711 0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.038 7.126 1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.500 7.159 2.585 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.795 6.044 3.083 1.00 0.00 H new ATOM 440 N VAL A 32 7.019 3.415 0.767 1.00 0.00 N ATOM 441 CA VAL A 32 6.490 2.367 -0.098 1.00 0.00 C ATOM 442 C VAL A 32 5.835 2.959 -1.340 1.00 0.00 C ATOM 443 O VAL A 32 5.668 4.173 -1.446 1.00 0.00 O ATOM 444 CB VAL A 32 5.462 1.492 0.645 1.00 0.00 C ATOM 445 CG1 VAL A 32 6.146 0.661 1.720 1.00 0.00 C ATOM 446 CG2 VAL A 32 4.363 2.356 1.245 1.00 0.00 C ATOM 0 H VAL A 32 6.333 4.115 1.049 1.00 0.00 H new ATOM 0 HA VAL A 32 7.335 1.747 -0.397 1.00 0.00 H new ATOM 0 HB VAL A 32 5.005 0.809 -0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.404 0.050 2.234 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.893 0.015 1.260 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.631 1.323 2.438 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.645 1.722 1.766 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.800 3.064 1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.855 2.902 0.450 1.00 0.00 H new ATOM 456 N GLN A 33 5.464 2.092 -2.277 1.00 0.00 N ATOM 457 CA GLN A 33 4.827 2.529 -3.513 1.00 0.00 C ATOM 458 C GLN A 33 3.451 1.890 -3.672 1.00 0.00 C ATOM 459 O GLN A 33 3.324 0.666 -3.710 1.00 0.00 O ATOM 460 CB GLN A 33 5.705 2.182 -4.716 1.00 0.00 C ATOM 461 CG GLN A 33 6.751 3.239 -5.031 1.00 0.00 C ATOM 462 CD GLN A 33 7.991 3.109 -4.169 1.00 0.00 C ATOM 463 OE1 GLN A 33 7.971 2.452 -3.127 1.00 0.00 O ATOM 464 NE2 GLN A 33 9.081 3.734 -4.599 1.00 0.00 N ATOM 0 H GLN A 33 5.594 1.083 -2.203 1.00 0.00 H new ATOM 0 HA GLN A 33 4.702 3.611 -3.464 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.206 1.232 -4.528 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.070 2.040 -5.590 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.034 3.163 -6.081 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.316 4.228 -4.889 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.054 4.267 -5.468 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.946 3.681 -4.060 1.00 0.00 H new ATOM 473 N VAL A 34 2.422 2.727 -3.763 1.00 0.00 N ATOM 474 CA VAL A 34 1.055 2.244 -3.918 1.00 0.00 C ATOM 475 C VAL A 34 0.858 1.579 -5.276 1.00 0.00 C ATOM 476 O VAL A 34 1.428 2.010 -6.279 1.00 0.00 O ATOM 477 CB VAL A 34 0.035 3.387 -3.767 1.00 0.00 C ATOM 478 CG1 VAL A 34 -1.378 2.877 -4.003 1.00 0.00 C ATOM 479 CG2 VAL A 34 0.156 4.030 -2.393 1.00 0.00 C ATOM 0 H VAL A 34 2.509 3.743 -3.732 1.00 0.00 H new ATOM 0 HA VAL A 34 0.887 1.511 -3.129 1.00 0.00 H new ATOM 0 HB VAL A 34 0.252 4.146 -4.519 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.085 3.699 -3.892 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.453 2.467 -5.010 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.610 2.098 -3.276 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.572 4.836 -2.303 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.034 3.282 -1.623 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.161 4.433 -2.267 1.00 0.00 H new ATOM 489 N LEU A 35 0.048 0.526 -5.301 1.00 0.00 N ATOM 490 CA LEU A 35 -0.225 -0.200 -6.537 1.00 0.00 C ATOM 491 C LEU A 35 -1.718 -0.200 -6.849 1.00 0.00 C ATOM 492 O LEU A 35 -2.120 -0.092 -8.007 1.00 0.00 O ATOM 493 CB LEU A 35 0.286 -1.637 -6.430 1.00 0.00 C ATOM 494 CG LEU A 35 1.792 -1.801 -6.228 1.00 0.00 C ATOM 495 CD1 LEU A 35 2.161 -3.274 -6.135 1.00 0.00 C ATOM 496 CD2 LEU A 35 2.558 -1.129 -7.359 1.00 0.00 C ATOM 0 H LEU A 35 -0.431 0.156 -4.480 1.00 0.00 H new ATOM 0 HA LEU A 35 0.297 0.305 -7.350 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.227 -2.123 -5.600 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.001 -2.171 -7.337 1.00 0.00 H new ATOM 0 HG LEU A 35 2.068 -1.318 -5.291 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.237 -3.371 -5.991 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.640 -3.727 -5.292 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.871 -3.781 -7.055 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.629 -1.256 -7.199 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.277 -1.583 -8.309 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.318 -0.066 -7.380 1.00 0.00 H new ATOM 508 N ALA A 36 -2.535 -0.320 -5.808 1.00 0.00 N ATOM 509 CA ALA A 36 -3.984 -0.329 -5.970 1.00 0.00 C ATOM 510 C ALA A 36 -4.688 -0.262 -4.620 1.00 0.00 C ATOM 511 O ALA A 36 -4.043 -0.252 -3.571 1.00 0.00 O ATOM 512 CB ALA A 36 -4.421 -1.571 -6.734 1.00 0.00 C ATOM 0 H ALA A 36 -2.218 -0.412 -4.843 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.267 0.555 -6.542 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.505 -1.565 -6.848 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.953 -1.576 -7.718 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.119 -2.462 -6.184 1.00 0.00 H new ATOM 518 N VAL A 37 -6.016 -0.214 -4.652 1.00 0.00 N ATOM 519 CA VAL A 37 -6.809 -0.147 -3.430 1.00 0.00 C ATOM 520 C VAL A 37 -7.747 -1.343 -3.317 1.00 0.00 C ATOM 521 O VAL A 37 -8.151 -1.925 -4.323 1.00 0.00 O ATOM 522 CB VAL A 37 -7.639 1.149 -3.369 1.00 0.00 C ATOM 523 CG1 VAL A 37 -8.636 1.092 -2.222 1.00 0.00 C ATOM 524 CG2 VAL A 37 -6.727 2.359 -3.233 1.00 0.00 C ATOM 0 H VAL A 37 -6.566 -0.220 -5.511 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.106 -0.159 -2.597 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.198 1.246 -4.300 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.213 2.016 -2.195 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -9.310 0.248 -2.367 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -8.101 0.971 -1.280 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.330 3.266 -3.191 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.140 2.271 -2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.057 2.408 -4.091 1.00 0.00 H new ATOM 534 N ASN A 38 -8.089 -1.706 -2.085 1.00 0.00 N ATOM 535 CA ASN A 38 -8.980 -2.834 -1.840 1.00 0.00 C ATOM 536 C ASN A 38 -10.282 -2.369 -1.195 1.00 0.00 C ATOM 537 O ASN A 38 -10.363 -1.259 -0.668 1.00 0.00 O ATOM 538 CB ASN A 38 -8.295 -3.866 -0.943 1.00 0.00 C ATOM 539 CG ASN A 38 -9.258 -4.923 -0.437 1.00 0.00 C ATOM 540 OD1 ASN A 38 -10.059 -5.464 -1.199 1.00 0.00 O ATOM 541 ND2 ASN A 38 -9.183 -5.222 0.855 1.00 0.00 N ATOM 0 H ASN A 38 -7.763 -1.235 -1.241 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.214 -3.294 -2.800 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.490 -4.348 -1.498 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.838 -3.359 -0.094 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -9.805 -5.926 1.253 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.503 -4.748 1.450 1.00 0.00 H new ATOM 548 N GLN A 39 -11.298 -3.225 -1.242 1.00 0.00 N ATOM 549 CA GLN A 39 -12.596 -2.901 -0.662 1.00 0.00 C ATOM 550 C GLN A 39 -12.494 -2.749 0.852 1.00 0.00 C ATOM 551 O GLN A 39 -13.409 -2.236 1.496 1.00 0.00 O ATOM 552 CB GLN A 39 -13.618 -3.985 -1.010 1.00 0.00 C ATOM 553 CG GLN A 39 -13.339 -5.321 -0.341 1.00 0.00 C ATOM 554 CD GLN A 39 -13.860 -5.381 1.082 1.00 0.00 C ATOM 555 OE1 GLN A 39 -14.875 -4.766 1.410 1.00 0.00 O ATOM 556 NE2 GLN A 39 -13.167 -6.125 1.935 1.00 0.00 N ATOM 0 H GLN A 39 -11.247 -4.147 -1.675 1.00 0.00 H new ATOM 0 HA GLN A 39 -12.926 -1.951 -1.082 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -14.611 -3.643 -0.719 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.633 -4.125 -2.091 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -13.797 -6.119 -0.926 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.265 -5.505 -0.339 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -12.331 -6.618 1.620 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -13.470 -6.204 2.906 1.00 0.00 H new ATOM 565 N GLN A 40 -11.376 -3.198 1.413 1.00 0.00 N ATOM 566 CA GLN A 40 -11.156 -3.112 2.851 1.00 0.00 C ATOM 567 C GLN A 40 -10.454 -1.808 3.218 1.00 0.00 C ATOM 568 O GLN A 40 -9.845 -1.698 4.282 1.00 0.00 O ATOM 569 CB GLN A 40 -10.328 -4.304 3.334 1.00 0.00 C ATOM 570 CG GLN A 40 -10.515 -4.618 4.809 1.00 0.00 C ATOM 571 CD GLN A 40 -9.806 -5.890 5.230 1.00 0.00 C ATOM 572 OE1 GLN A 40 -9.804 -6.883 4.503 1.00 0.00 O ATOM 573 NE2 GLN A 40 -9.199 -5.866 6.411 1.00 0.00 N ATOM 0 H GLN A 40 -10.609 -3.625 0.893 1.00 0.00 H new ATOM 0 HA GLN A 40 -12.128 -3.131 3.343 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.596 -5.183 2.747 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -9.273 -4.103 3.145 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -10.142 -3.785 5.404 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.579 -4.712 5.024 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -9.226 -5.021 6.981 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -8.706 -6.693 6.748 1.00 0.00 H new ATOM 582 N ASN A 41 -10.542 -0.824 2.329 1.00 0.00 N ATOM 583 CA ASN A 41 -9.914 0.472 2.559 1.00 0.00 C ATOM 584 C ASN A 41 -8.400 0.328 2.688 1.00 0.00 C ATOM 585 O ASN A 41 -7.760 1.059 3.443 1.00 0.00 O ATOM 586 CB ASN A 41 -10.485 1.122 3.821 1.00 0.00 C ATOM 587 CG ASN A 41 -10.306 2.628 3.826 1.00 0.00 C ATOM 588 OD1 ASN A 41 -9.883 3.218 2.832 1.00 0.00 O ATOM 589 ND2 ASN A 41 -10.630 3.257 4.950 1.00 0.00 N ATOM 0 H ASN A 41 -11.042 -0.899 1.443 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.129 1.109 1.701 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -11.546 0.884 3.901 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -9.996 0.698 4.698 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.532 4.270 5.014 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.977 2.727 5.749 1.00 0.00 H new ATOM 596 N MET A 42 -7.836 -0.619 1.946 1.00 0.00 N ATOM 597 CA MET A 42 -6.398 -0.858 1.976 1.00 0.00 C ATOM 598 C MET A 42 -5.746 -0.415 0.670 1.00 0.00 C ATOM 599 O MET A 42 -6.423 -0.236 -0.343 1.00 0.00 O ATOM 600 CB MET A 42 -6.110 -2.339 2.227 1.00 0.00 C ATOM 601 CG MET A 42 -6.543 -2.818 3.603 1.00 0.00 C ATOM 602 SD MET A 42 -5.666 -1.980 4.937 1.00 0.00 S ATOM 603 CE MET A 42 -4.225 -3.030 5.107 1.00 0.00 C ATOM 0 H MET A 42 -8.353 -1.233 1.317 1.00 0.00 H new ATOM 0 HA MET A 42 -5.974 -0.270 2.791 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.619 -2.933 1.468 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.041 -2.518 2.109 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.615 -2.656 3.720 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.373 -3.892 3.680 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.415 -2.464 5.567 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.471 -3.887 5.734 1.00 0.00 H new ATOM 0 HE3 MET A 42 -3.911 -3.379 4.123 1.00 0.00 H new ATOM 613 N CYS A 43 -4.429 -0.241 0.700 1.00 0.00 N ATOM 614 CA CYS A 43 -3.686 0.182 -0.482 1.00 0.00 C ATOM 615 C CYS A 43 -2.482 -0.723 -0.719 1.00 0.00 C ATOM 616 O CYS A 43 -1.494 -0.664 0.014 1.00 0.00 O ATOM 617 CB CYS A 43 -3.228 1.633 -0.329 1.00 0.00 C ATOM 618 SG CYS A 43 -4.567 2.844 -0.423 1.00 0.00 S ATOM 0 H CYS A 43 -3.854 -0.386 1.530 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.348 0.107 -1.344 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.720 1.743 0.629 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.496 1.855 -1.106 1.00 0.00 H new ATOM 0 HG CYS A 43 -4.080 4.041 -0.281 1.00 0.00 H new ATOM 624 N LEU A 44 -2.571 -1.560 -1.746 1.00 0.00 N ATOM 625 CA LEU A 44 -1.488 -2.479 -2.080 1.00 0.00 C ATOM 626 C LEU A 44 -0.193 -1.721 -2.348 1.00 0.00 C ATOM 627 O LEU A 44 0.041 -1.243 -3.458 1.00 0.00 O ATOM 628 CB LEU A 44 -1.864 -3.318 -3.303 1.00 0.00 C ATOM 629 CG LEU A 44 -0.844 -4.373 -3.733 1.00 0.00 C ATOM 630 CD1 LEU A 44 -0.518 -5.303 -2.575 1.00 0.00 C ATOM 631 CD2 LEU A 44 -1.364 -5.164 -4.924 1.00 0.00 C ATOM 0 H LEU A 44 -3.382 -1.622 -2.362 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.330 -3.140 -1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.810 -3.819 -3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.035 -2.644 -4.142 1.00 0.00 H new ATOM 0 HG LEU A 44 0.072 -3.864 -4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.209 -6.047 -2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.102 -4.725 -1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.427 -5.805 -2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.625 -5.910 -5.216 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.294 -5.662 -4.652 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.546 -4.487 -5.759 1.00 0.00 H new ATOM 643 N VAL A 45 0.648 -1.616 -1.324 1.00 0.00 N ATOM 644 CA VAL A 45 1.923 -0.918 -1.450 1.00 0.00 C ATOM 645 C VAL A 45 3.086 -1.903 -1.493 1.00 0.00 C ATOM 646 O VAL A 45 3.096 -2.900 -0.772 1.00 0.00 O ATOM 647 CB VAL A 45 2.141 0.066 -0.285 1.00 0.00 C ATOM 648 CG1 VAL A 45 1.007 1.079 -0.222 1.00 0.00 C ATOM 649 CG2 VAL A 45 2.268 -0.686 1.031 1.00 0.00 C ATOM 0 H VAL A 45 0.470 -2.005 -0.398 1.00 0.00 H new ATOM 0 HA VAL A 45 1.888 -0.360 -2.386 1.00 0.00 H new ATOM 0 HB VAL A 45 3.071 0.607 -0.459 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.178 1.766 0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.968 1.640 -1.156 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.061 0.558 -0.072 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.422 0.025 1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.357 -1.255 1.214 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.117 -1.368 0.980 1.00 0.00 H new ATOM 659 N TYR A 46 4.065 -1.615 -2.343 1.00 0.00 N ATOM 660 CA TYR A 46 5.234 -2.476 -2.483 1.00 0.00 C ATOM 661 C TYR A 46 6.375 -1.994 -1.593 1.00 0.00 C ATOM 662 O TYR A 46 6.921 -0.911 -1.799 1.00 0.00 O ATOM 663 CB TYR A 46 5.692 -2.517 -3.942 1.00 0.00 C ATOM 664 CG TYR A 46 6.934 -3.350 -4.163 1.00 0.00 C ATOM 665 CD1 TYR A 46 8.195 -2.843 -3.875 1.00 0.00 C ATOM 666 CD2 TYR A 46 6.847 -4.645 -4.660 1.00 0.00 C ATOM 667 CE1 TYR A 46 9.333 -3.600 -4.077 1.00 0.00 C ATOM 668 CE2 TYR A 46 7.979 -5.410 -4.863 1.00 0.00 C ATOM 669 CZ TYR A 46 9.219 -4.883 -4.570 1.00 0.00 C ATOM 670 OH TYR A 46 10.350 -5.641 -4.771 1.00 0.00 O ATOM 0 H TYR A 46 4.073 -0.792 -2.946 1.00 0.00 H new ATOM 0 HA TYR A 46 4.953 -3.481 -2.170 1.00 0.00 H new ATOM 0 HB2 TYR A 46 4.884 -2.914 -4.557 1.00 0.00 H new ATOM 0 HB3 TYR A 46 5.882 -1.499 -4.283 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.287 -1.840 -3.486 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.877 -5.060 -4.892 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.306 -3.190 -3.850 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.893 -6.415 -5.249 1.00 0.00 H new ATOM 0 HH TYR A 46 10.096 -6.521 -5.121 1.00 0.00 H new ATOM 680 N GLN A 47 6.730 -2.808 -0.604 1.00 0.00 N ATOM 681 CA GLN A 47 7.806 -2.465 0.318 1.00 0.00 C ATOM 682 C GLN A 47 9.119 -3.110 -0.114 1.00 0.00 C ATOM 683 O GLN A 47 9.266 -4.332 -0.120 1.00 0.00 O ATOM 684 CB GLN A 47 7.450 -2.908 1.739 1.00 0.00 C ATOM 685 CG GLN A 47 8.655 -3.034 2.657 1.00 0.00 C ATOM 686 CD GLN A 47 8.266 -3.145 4.118 1.00 0.00 C ATOM 687 OE1 GLN A 47 8.146 -4.245 4.658 1.00 0.00 O ATOM 688 NE2 GLN A 47 8.067 -2.004 4.766 1.00 0.00 N ATOM 0 H GLN A 47 6.288 -3.709 -0.421 1.00 0.00 H new ATOM 0 HA GLN A 47 7.932 -1.382 0.303 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.749 -2.192 2.169 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.937 -3.868 1.693 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.234 -3.912 2.371 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.302 -2.167 2.522 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.178 -1.115 4.279 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.803 -2.016 5.751 1.00 0.00 H new ATOM 697 N PRO A 48 10.097 -2.270 -0.485 1.00 0.00 N ATOM 698 CA PRO A 48 11.415 -2.736 -0.926 1.00 0.00 C ATOM 699 C PRO A 48 12.229 -3.335 0.216 1.00 0.00 C ATOM 700 O PRO A 48 12.001 -3.023 1.384 1.00 0.00 O ATOM 701 CB PRO A 48 12.084 -1.462 -1.448 1.00 0.00 C ATOM 702 CG PRO A 48 11.410 -0.353 -0.719 1.00 0.00 C ATOM 703 CD PRO A 48 9.991 -0.802 -0.503 1.00 0.00 C ATOM 0 HA PRO A 48 11.340 -3.530 -1.669 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.156 -1.470 -1.253 1.00 0.00 H new ATOM 0 HB3 PRO A 48 11.957 -1.362 -2.526 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.905 -0.153 0.231 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.443 0.571 -1.297 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.586 -0.417 0.433 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.334 -0.456 -1.301 1.00 0.00 H new ATOM 711 N ALA A 49 13.180 -4.197 -0.131 1.00 0.00 N ATOM 712 CA ALA A 49 14.029 -4.838 0.865 1.00 0.00 C ATOM 713 C ALA A 49 14.398 -3.866 1.981 1.00 0.00 C ATOM 714 O ALA A 49 14.846 -2.749 1.721 1.00 0.00 O ATOM 715 CB ALA A 49 15.286 -5.392 0.209 1.00 0.00 C ATOM 0 H ALA A 49 13.381 -4.467 -1.094 1.00 0.00 H new ATOM 0 HA ALA A 49 13.469 -5.662 1.307 1.00 0.00 H new ATOM 0 HB1 ALA A 49 15.911 -5.868 0.964 1.00 0.00 H new ATOM 0 HB2 ALA A 49 15.008 -6.126 -0.547 1.00 0.00 H new ATOM 0 HB3 ALA A 49 15.840 -4.579 -0.261 1.00 0.00 H new ATOM 721 N SER A 50 14.204 -4.297 3.223 1.00 0.00 N ATOM 722 CA SER A 50 14.512 -3.462 4.378 1.00 0.00 C ATOM 723 C SER A 50 15.010 -4.311 5.544 1.00 0.00 C ATOM 724 O SER A 50 14.848 -5.531 5.552 1.00 0.00 O ATOM 725 CB SER A 50 13.276 -2.667 4.804 1.00 0.00 C ATOM 726 OG SER A 50 13.630 -1.588 5.651 1.00 0.00 O ATOM 0 H SER A 50 13.835 -5.219 3.455 1.00 0.00 H new ATOM 0 HA SER A 50 15.302 -2.767 4.092 1.00 0.00 H new ATOM 0 HB2 SER A 50 12.762 -2.287 3.921 1.00 0.00 H new ATOM 0 HB3 SER A 50 12.577 -3.325 5.321 1.00 0.00 H new ATOM 0 HG SER A 50 12.823 -1.095 5.908 1.00 0.00 H new ATOM 732 N ASP A 51 15.618 -3.655 6.527 1.00 0.00 N ATOM 733 CA ASP A 51 16.140 -4.348 7.700 1.00 0.00 C ATOM 734 C ASP A 51 15.088 -5.277 8.295 1.00 0.00 C ATOM 735 O ASP A 51 15.362 -6.445 8.574 1.00 0.00 O ATOM 736 CB ASP A 51 16.600 -3.337 8.752 1.00 0.00 C ATOM 737 CG ASP A 51 17.656 -2.388 8.220 1.00 0.00 C ATOM 738 OD1 ASP A 51 17.455 -1.835 7.118 1.00 0.00 O ATOM 739 OD2 ASP A 51 18.683 -2.198 8.905 1.00 0.00 O ATOM 0 H ASP A 51 15.761 -2.645 6.535 1.00 0.00 H new ATOM 0 HA ASP A 51 16.994 -4.949 7.387 1.00 0.00 H new ATOM 0 HB2 ASP A 51 15.741 -2.763 9.100 1.00 0.00 H new ATOM 0 HB3 ASP A 51 16.997 -3.871 9.615 1.00 0.00 H new ATOM 744 N HIS A 52 13.882 -4.752 8.488 1.00 0.00 N ATOM 745 CA HIS A 52 12.788 -5.535 9.052 1.00 0.00 C ATOM 746 C HIS A 52 12.490 -6.754 8.184 1.00 0.00 C ATOM 747 O HIS A 52 12.405 -7.876 8.682 1.00 0.00 O ATOM 748 CB HIS A 52 11.533 -4.672 9.188 1.00 0.00 C ATOM 749 CG HIS A 52 11.723 -3.472 10.064 1.00 0.00 C ATOM 750 ND1 HIS A 52 12.027 -3.561 11.406 1.00 0.00 N ATOM 751 CD2 HIS A 52 11.653 -2.150 9.782 1.00 0.00 C ATOM 752 CE1 HIS A 52 12.133 -2.346 11.913 1.00 0.00 C ATOM 753 NE2 HIS A 52 11.912 -1.471 10.948 1.00 0.00 N ATOM 0 H HIS A 52 13.638 -3.788 8.262 1.00 0.00 H new ATOM 0 HA HIS A 52 13.092 -5.880 10.040 1.00 0.00 H new ATOM 0 HB2 HIS A 52 11.220 -4.342 8.197 1.00 0.00 H new ATOM 0 HB3 HIS A 52 10.725 -5.282 9.592 1.00 0.00 H new ATOM 0 HD2 HIS A 52 11.434 -1.711 8.820 1.00 0.00 H new ATOM 0 HE1 HIS A 52 12.361 -2.108 12.941 1.00 0.00 H new ATOM 0 HE2 HIS A 52 11.931 -0.456 11.052 1.00 0.00 H new ATOM 762 N SER A 53 12.330 -6.525 6.884 1.00 0.00 N ATOM 763 CA SER A 53 12.037 -7.604 5.948 1.00 0.00 C ATOM 764 C SER A 53 12.458 -7.224 4.532 1.00 0.00 C ATOM 765 O SER A 53 12.469 -6.053 4.153 1.00 0.00 O ATOM 766 CB SER A 53 10.544 -7.939 5.976 1.00 0.00 C ATOM 767 OG SER A 53 9.768 -6.850 5.507 1.00 0.00 O ATOM 0 H SER A 53 12.398 -5.602 6.455 1.00 0.00 H new ATOM 0 HA SER A 53 12.606 -8.482 6.254 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.354 -8.817 5.359 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.244 -8.192 6.993 1.00 0.00 H new ATOM 0 HG SER A 53 8.818 -7.090 5.533 1.00 0.00 H new ATOM 773 N PRO A 54 12.816 -8.238 3.730 1.00 0.00 N ATOM 774 CA PRO A 54 13.245 -8.037 2.343 1.00 0.00 C ATOM 775 C PRO A 54 12.098 -7.598 1.440 1.00 0.00 C ATOM 776 O PRO A 54 10.952 -7.501 1.878 1.00 0.00 O ATOM 777 CB PRO A 54 13.755 -9.419 1.926 1.00 0.00 C ATOM 778 CG PRO A 54 13.027 -10.374 2.808 1.00 0.00 C ATOM 779 CD PRO A 54 12.828 -9.659 4.116 1.00 0.00 C ATOM 0 HA PRO A 54 13.992 -7.248 2.257 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.549 -9.616 0.874 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.834 -9.500 2.060 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.071 -10.659 2.369 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.600 -11.291 2.947 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.895 -9.953 4.596 1.00 0.00 H new ATOM 0 HD3 PRO A 54 13.631 -9.877 4.820 1.00 0.00 H new ATOM 787 N ALA A 55 12.414 -7.333 0.176 1.00 0.00 N ATOM 788 CA ALA A 55 11.409 -6.906 -0.790 1.00 0.00 C ATOM 789 C ALA A 55 10.143 -7.748 -0.673 1.00 0.00 C ATOM 790 O ALA A 55 10.187 -8.972 -0.791 1.00 0.00 O ATOM 791 CB ALA A 55 11.969 -6.984 -2.203 1.00 0.00 C ATOM 0 H ALA A 55 13.358 -7.407 -0.203 1.00 0.00 H new ATOM 0 HA ALA A 55 11.147 -5.871 -0.572 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.208 -6.662 -2.914 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.840 -6.334 -2.285 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.260 -8.011 -2.423 1.00 0.00 H new ATOM 797 N ALA A 56 9.016 -7.084 -0.439 1.00 0.00 N ATOM 798 CA ALA A 56 7.738 -7.771 -0.308 1.00 0.00 C ATOM 799 C ALA A 56 6.573 -6.804 -0.495 1.00 0.00 C ATOM 800 O ALA A 56 6.655 -5.638 -0.111 1.00 0.00 O ATOM 801 CB ALA A 56 7.644 -8.457 1.047 1.00 0.00 C ATOM 0 H ALA A 56 8.963 -6.071 -0.336 1.00 0.00 H new ATOM 0 HA ALA A 56 7.678 -8.527 -1.091 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.684 -8.966 1.131 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.450 -9.184 1.143 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.730 -7.713 1.838 1.00 0.00 H new ATOM 807 N GLU A 57 5.490 -7.298 -1.088 1.00 0.00 N ATOM 808 CA GLU A 57 4.310 -6.476 -1.327 1.00 0.00 C ATOM 809 C GLU A 57 3.249 -6.722 -0.258 1.00 0.00 C ATOM 810 O GLU A 57 2.772 -7.844 -0.089 1.00 0.00 O ATOM 811 CB GLU A 57 3.730 -6.767 -2.713 1.00 0.00 C ATOM 812 CG GLU A 57 2.977 -5.593 -3.317 1.00 0.00 C ATOM 813 CD GLU A 57 2.425 -5.902 -4.695 1.00 0.00 C ATOM 814 OE1 GLU A 57 3.149 -5.677 -5.687 1.00 0.00 O ATOM 815 OE2 GLU A 57 1.269 -6.367 -4.781 1.00 0.00 O ATOM 0 H GLU A 57 5.406 -8.262 -1.411 1.00 0.00 H new ATOM 0 HA GLU A 57 4.613 -5.430 -1.280 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.540 -7.052 -3.384 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.058 -7.622 -2.644 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.157 -5.313 -2.656 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.643 -4.733 -3.381 1.00 0.00 H new ATOM 822 N GLY A 58 2.886 -5.665 0.463 1.00 0.00 N ATOM 823 CA GLY A 58 1.886 -5.788 1.507 1.00 0.00 C ATOM 824 C GLY A 58 0.870 -4.663 1.471 1.00 0.00 C ATOM 825 O GLY A 58 1.170 -3.561 1.011 1.00 0.00 O ATOM 0 H GLY A 58 3.267 -4.726 0.342 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.371 -6.743 1.402 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.379 -5.797 2.479 1.00 0.00 H new ATOM 829 N TRP A 59 -0.335 -4.941 1.957 1.00 0.00 N ATOM 830 CA TRP A 59 -1.399 -3.943 1.977 1.00 0.00 C ATOM 831 C TRP A 59 -1.321 -3.090 3.237 1.00 0.00 C ATOM 832 O TRP A 59 -1.049 -3.596 4.326 1.00 0.00 O ATOM 833 CB TRP A 59 -2.766 -4.624 1.890 1.00 0.00 C ATOM 834 CG TRP A 59 -3.013 -5.295 0.573 1.00 0.00 C ATOM 835 CD1 TRP A 59 -2.532 -6.508 0.168 1.00 0.00 C ATOM 836 CD2 TRP A 59 -3.799 -4.791 -0.512 1.00 0.00 C ATOM 837 NE1 TRP A 59 -2.972 -6.787 -1.104 1.00 0.00 N ATOM 838 CE2 TRP A 59 -3.751 -5.750 -1.543 1.00 0.00 C ATOM 839 CE3 TRP A 59 -4.540 -3.623 -0.713 1.00 0.00 C ATOM 840 CZ2 TRP A 59 -4.415 -5.574 -2.754 1.00 0.00 C ATOM 841 CZ3 TRP A 59 -5.198 -3.450 -1.915 1.00 0.00 C ATOM 842 CH2 TRP A 59 -5.133 -4.422 -2.923 1.00 0.00 C ATOM 0 H TRP A 59 -0.599 -5.848 2.342 1.00 0.00 H new ATOM 0 HA TRP A 59 -1.270 -3.292 1.112 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.847 -5.363 2.687 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -3.545 -3.882 2.063 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -1.899 -7.153 0.760 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.754 -7.630 -1.635 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.597 -2.869 0.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -4.365 -6.321 -3.533 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.772 -2.551 -2.081 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -5.660 -4.258 -3.851 1.00 0.00 H new ATOM 853 N VAL A 60 -1.562 -1.791 3.084 1.00 0.00 N ATOM 854 CA VAL A 60 -1.521 -0.868 4.211 1.00 0.00 C ATOM 855 C VAL A 60 -2.639 0.164 4.118 1.00 0.00 C ATOM 856 O VAL A 60 -3.073 0.549 3.032 1.00 0.00 O ATOM 857 CB VAL A 60 -0.167 -0.136 4.288 1.00 0.00 C ATOM 858 CG1 VAL A 60 0.981 -1.119 4.120 1.00 0.00 C ATOM 859 CG2 VAL A 60 -0.097 0.964 3.240 1.00 0.00 C ATOM 0 H VAL A 60 -1.788 -1.355 2.190 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.656 -1.465 5.113 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.077 0.325 5.272 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.929 -0.584 4.177 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.938 -1.867 4.911 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.900 -1.611 3.151 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.866 1.471 3.308 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.208 0.528 2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.898 1.682 3.413 1.00 0.00 H new ATOM 869 N PRO A 61 -3.119 0.624 5.283 1.00 0.00 N ATOM 870 CA PRO A 61 -4.193 1.618 5.359 1.00 0.00 C ATOM 871 C PRO A 61 -3.741 2.997 4.889 1.00 0.00 C ATOM 872 O PRO A 61 -2.896 3.632 5.518 1.00 0.00 O ATOM 873 CB PRO A 61 -4.542 1.650 6.849 1.00 0.00 C ATOM 874 CG PRO A 61 -3.300 1.201 7.539 1.00 0.00 C ATOM 875 CD PRO A 61 -2.649 0.209 6.615 1.00 0.00 C ATOM 0 HA PRO A 61 -5.034 1.359 4.715 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.831 2.652 7.166 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.380 0.990 7.074 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.637 2.043 7.737 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.531 0.744 8.501 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.562 0.246 6.687 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.949 -0.813 6.847 1.00 0.00 H new ATOM 883 N GLY A 62 -4.311 3.454 3.778 1.00 0.00 N ATOM 884 CA GLY A 62 -3.954 4.755 3.243 1.00 0.00 C ATOM 885 C GLY A 62 -3.946 5.837 4.305 1.00 0.00 C ATOM 886 O GLY A 62 -3.351 6.898 4.116 1.00 0.00 O ATOM 0 H GLY A 62 -5.013 2.947 3.239 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.968 4.696 2.781 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.659 5.027 2.457 1.00 0.00 H new ATOM 890 N SER A 63 -4.611 5.569 5.425 1.00 0.00 N ATOM 891 CA SER A 63 -4.683 6.531 6.519 1.00 0.00 C ATOM 892 C SER A 63 -3.289 6.856 7.049 1.00 0.00 C ATOM 893 O SER A 63 -3.011 7.990 7.438 1.00 0.00 O ATOM 894 CB SER A 63 -5.556 5.984 7.650 1.00 0.00 C ATOM 895 OG SER A 63 -5.758 6.960 8.656 1.00 0.00 O ATOM 0 H SER A 63 -5.107 4.695 5.598 1.00 0.00 H new ATOM 0 HA SER A 63 -5.130 7.448 6.135 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.518 5.666 7.249 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.084 5.102 8.084 1.00 0.00 H new ATOM 0 HG SER A 63 -6.320 6.586 9.366 1.00 0.00 H new ATOM 901 N ILE A 64 -2.419 5.852 7.061 1.00 0.00 N ATOM 902 CA ILE A 64 -1.054 6.031 7.541 1.00 0.00 C ATOM 903 C ILE A 64 -0.106 6.362 6.394 1.00 0.00 C ATOM 904 O ILE A 64 1.115 6.326 6.553 1.00 0.00 O ATOM 905 CB ILE A 64 -0.544 4.772 8.267 1.00 0.00 C ATOM 906 CG1 ILE A 64 -0.296 3.644 7.264 1.00 0.00 C ATOM 907 CG2 ILE A 64 -1.539 4.334 9.331 1.00 0.00 C ATOM 908 CD1 ILE A 64 0.507 2.495 7.833 1.00 0.00 C ATOM 0 H ILE A 64 -2.635 4.907 6.744 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.073 6.864 8.244 1.00 0.00 H new ATOM 0 HB ILE A 64 0.400 5.010 8.757 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.255 3.266 6.910 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.227 4.048 6.397 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.164 3.443 9.835 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.670 5.135 10.059 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.497 4.110 8.863 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.644 1.732 7.067 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.481 2.859 8.161 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.024 2.065 8.682 1.00 0.00 H new ATOM 920 N LEU A 65 -0.675 6.687 5.238 1.00 0.00 N ATOM 921 CA LEU A 65 0.119 7.027 4.063 1.00 0.00 C ATOM 922 C LEU A 65 0.024 8.518 3.755 1.00 0.00 C ATOM 923 O LEU A 65 -0.992 9.155 4.031 1.00 0.00 O ATOM 924 CB LEU A 65 -0.348 6.214 2.855 1.00 0.00 C ATOM 925 CG LEU A 65 -0.084 4.709 2.916 1.00 0.00 C ATOM 926 CD1 LEU A 65 -0.486 4.043 1.609 1.00 0.00 C ATOM 927 CD2 LEU A 65 1.381 4.437 3.226 1.00 0.00 C ATOM 0 H LEU A 65 -1.684 6.722 5.090 1.00 0.00 H new ATOM 0 HA LEU A 65 1.160 6.784 4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.420 6.370 2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.138 6.612 1.964 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.690 4.286 3.717 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.291 2.972 1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.548 4.208 1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.092 4.470 0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.551 3.361 3.266 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.005 4.874 2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.638 4.881 4.188 1.00 0.00 H new ATOM 939 N ALA A 66 1.088 9.066 3.178 1.00 0.00 N ATOM 940 CA ALA A 66 1.123 10.481 2.827 1.00 0.00 C ATOM 941 C ALA A 66 1.923 10.711 1.550 1.00 0.00 C ATOM 942 O ALA A 66 2.832 9.952 1.213 1.00 0.00 O ATOM 943 CB ALA A 66 1.708 11.294 3.972 1.00 0.00 C ATOM 0 H ALA A 66 1.937 8.552 2.944 1.00 0.00 H new ATOM 0 HA ALA A 66 0.100 10.810 2.647 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.728 12.348 3.696 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.093 11.163 4.862 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.723 10.954 4.179 1.00 0.00 H new ATOM 949 N PRO A 67 1.578 11.781 0.819 1.00 0.00 N ATOM 950 CA PRO A 67 2.252 12.135 -0.434 1.00 0.00 C ATOM 951 C PRO A 67 3.677 12.627 -0.206 1.00 0.00 C ATOM 952 O PRO A 67 3.895 13.785 0.150 1.00 0.00 O ATOM 953 CB PRO A 67 1.381 13.260 -0.999 1.00 0.00 C ATOM 954 CG PRO A 67 0.716 13.860 0.191 1.00 0.00 C ATOM 955 CD PRO A 67 0.503 12.729 1.160 1.00 0.00 C ATOM 0 HA PRO A 67 2.351 11.278 -1.101 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.983 13.998 -1.530 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.649 12.875 -1.709 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.336 14.641 0.632 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.232 14.323 -0.083 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.577 13.066 2.194 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.483 12.279 1.042 1.00 0.00 H new ATOM 963 N PHE A 68 4.645 11.741 -0.415 1.00 0.00 N ATOM 964 CA PHE A 68 6.050 12.085 -0.232 1.00 0.00 C ATOM 965 C PHE A 68 6.474 13.177 -1.211 1.00 0.00 C ATOM 966 O PHE A 68 5.787 13.442 -2.198 1.00 0.00 O ATOM 967 CB PHE A 68 6.929 10.847 -0.419 1.00 0.00 C ATOM 968 CG PHE A 68 8.379 11.090 -0.112 1.00 0.00 C ATOM 969 CD1 PHE A 68 8.756 11.720 1.063 1.00 0.00 C ATOM 970 CD2 PHE A 68 9.365 10.688 -0.999 1.00 0.00 C ATOM 971 CE1 PHE A 68 10.089 11.945 1.349 1.00 0.00 C ATOM 972 CE2 PHE A 68 10.700 10.910 -0.718 1.00 0.00 C ATOM 973 CZ PHE A 68 11.063 11.540 0.457 1.00 0.00 C ATOM 0 H PHE A 68 4.482 10.779 -0.711 1.00 0.00 H new ATOM 0 HA PHE A 68 6.177 12.462 0.783 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.559 10.048 0.223 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.837 10.498 -1.447 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.999 12.039 1.764 1.00 0.00 H new ATOM 0 HD2 PHE A 68 9.087 10.196 -1.920 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.369 12.437 2.269 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.459 10.591 -1.417 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.106 11.715 0.677 1.00 0.00 H new ATOM 983 N SER A 69 7.610 13.807 -0.929 1.00 0.00 N ATOM 984 CA SER A 69 8.124 14.873 -1.781 1.00 0.00 C ATOM 985 C SER A 69 9.612 15.098 -1.530 1.00 0.00 C ATOM 986 O SER A 69 10.128 14.781 -0.459 1.00 0.00 O ATOM 987 CB SER A 69 7.352 16.170 -1.533 1.00 0.00 C ATOM 988 OG SER A 69 7.677 16.724 -0.270 1.00 0.00 O ATOM 0 H SER A 69 8.192 13.598 -0.118 1.00 0.00 H new ATOM 0 HA SER A 69 7.989 14.572 -2.820 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.582 16.889 -2.319 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.281 15.974 -1.583 1.00 0.00 H new ATOM 0 HG SER A 69 7.172 17.553 -0.137 1.00 0.00 H new ATOM 994 N GLY A 70 10.297 15.648 -2.528 1.00 0.00 N ATOM 995 CA GLY A 70 11.719 15.907 -2.398 1.00 0.00 C ATOM 996 C GLY A 70 12.478 15.634 -3.682 1.00 0.00 C ATOM 997 O GLY A 70 12.572 16.486 -4.565 1.00 0.00 O ATOM 0 H GLY A 70 9.892 15.919 -3.424 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.871 16.946 -2.104 1.00 0.00 H new ATOM 0 HA3 GLY A 70 12.127 15.287 -1.600 1.00 0.00 H new ATOM 1001 N PRO A 71 13.038 14.421 -3.796 1.00 0.00 N ATOM 1002 CA PRO A 71 13.804 14.011 -4.977 1.00 0.00 C ATOM 1003 C PRO A 71 12.920 13.827 -6.206 1.00 0.00 C ATOM 1004 O PRO A 71 11.802 13.321 -6.108 1.00 0.00 O ATOM 1005 CB PRO A 71 14.418 12.673 -4.555 1.00 0.00 C ATOM 1006 CG PRO A 71 13.500 12.149 -3.506 1.00 0.00 C ATOM 1007 CD PRO A 71 12.967 13.355 -2.782 1.00 0.00 C ATOM 0 HA PRO A 71 14.540 14.761 -5.266 1.00 0.00 H new ATOM 0 HB2 PRO A 71 14.488 11.986 -5.398 1.00 0.00 H new ATOM 0 HB3 PRO A 71 15.428 12.806 -4.167 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.690 11.571 -3.950 1.00 0.00 H new ATOM 0 HG3 PRO A 71 14.028 11.485 -2.822 1.00 0.00 H new ATOM 0 HD2 PRO A 71 11.946 13.197 -2.436 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.567 13.595 -1.904 1.00 0.00 H new ATOM 1015 N SER A 72 13.428 14.240 -7.362 1.00 0.00 N ATOM 1016 CA SER A 72 12.683 14.124 -8.610 1.00 0.00 C ATOM 1017 C SER A 72 11.192 14.347 -8.376 1.00 0.00 C ATOM 1018 O SER A 72 10.361 13.526 -8.764 1.00 0.00 O ATOM 1019 CB SER A 72 12.911 12.748 -9.239 1.00 0.00 C ATOM 1020 OG SER A 72 14.027 12.765 -10.113 1.00 0.00 O ATOM 0 H SER A 72 14.353 14.658 -7.461 1.00 0.00 H new ATOM 0 HA SER A 72 13.045 14.893 -9.293 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.071 12.008 -8.455 1.00 0.00 H new ATOM 0 HB3 SER A 72 12.020 12.443 -9.788 1.00 0.00 H new ATOM 0 HG SER A 72 14.153 11.874 -10.501 1.00 0.00 H new ATOM 1026 N SER A 73 10.861 15.464 -7.736 1.00 0.00 N ATOM 1027 CA SER A 73 9.471 15.795 -7.445 1.00 0.00 C ATOM 1028 C SER A 73 8.735 16.215 -8.714 1.00 0.00 C ATOM 1029 O SER A 73 7.607 15.791 -8.961 1.00 0.00 O ATOM 1030 CB SER A 73 9.398 16.915 -6.406 1.00 0.00 C ATOM 1031 OG SER A 73 8.089 17.034 -5.875 1.00 0.00 O ATOM 0 H SER A 73 11.536 16.155 -7.409 1.00 0.00 H new ATOM 0 HA SER A 73 8.988 14.904 -7.043 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.104 16.714 -5.600 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.696 17.859 -6.863 1.00 0.00 H new ATOM 0 HG SER A 73 8.069 17.756 -5.212 1.00 0.00 H new ATOM 1037 N GLY A 74 9.384 17.053 -9.518 1.00 0.00 N ATOM 1038 CA GLY A 74 8.778 17.517 -10.752 1.00 0.00 C ATOM 1039 C GLY A 74 9.597 17.153 -11.973 1.00 0.00 C ATOM 1040 O GLY A 74 9.496 16.040 -12.488 1.00 0.00 O ATOM 0 H GLY A 74 10.319 17.418 -9.336 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.780 17.088 -10.847 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.657 18.599 -10.709 1.00 0.00 H new TER 1044 GLY A 74