USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 699 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 78 THR OG1 : rot 74:sc= 1.25 USER MOD Set 1.2: A 80 THR OG1 : rot 87:sc= 0.0611 USER MOD Set 1.3: A 94 LYS NZ :NH3+ 151:sc= 0.879 (180deg=0.153) USER MOD Set 2.1: A 55 LYS NZ :NH3+ -138:sc= 2.92 (180deg=1.08) USER MOD Set 2.2: A 58 HIS : no HE2:sc= 0.338 K(o=3.3,f=-5) USER MOD Set 3.1: A 34 ASN : amide:sc= 1.34 K(o=3.8,f=2.3) USER MOD Set 3.2: A 35 LYS NZ :NH3+ -169:sc= 2.45 (180deg=2.36) USER MOD Set 4.1: A 33 ASN : amide:sc= -9.39! C(o=-15!,f=-19!) USER MOD Set 4.2: A 37 SER OG : rot -127:sc= 1.13 USER MOD Set 4.3: A 39 HIS : no HE2:sc= -6.4! C(o=-15!,f=-19!) USER MOD Set 5.1: A 2 ASN : amide:sc= 1.63 K(o=2.5,f=-11!) USER MOD Set 5.2: A 30 LYS NZ :NH3+ 172:sc= 0.906 (180deg=-0.887!) USER MOD Single : A 1 ALA N :NH3+ -108:sc= 0.138 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc=-0.000621 USER MOD Single : A 6 LYS NZ :NH3+ -179:sc= 2.43 (180deg=2.4) USER MOD Single : A 7 MET CE :methyl 173:sc= -0.012 (180deg=-0.0877) USER MOD Single : A 9 SER OG : rot 89:sc= 1.22 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -46:sc= 1.25 USER MOD Single : A 20 THR OG1 : rot 27:sc= 0.848 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -179:sc= 2.45 (180deg=2.37) USER MOD Single : A 40 ASN : amide:sc= 1.23 K(o=1.2,f=-6.3!) USER MOD Single : A 52 THR OG1 : rot -25:sc= 0.784 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 168:sc= 1.22 (180deg=0.901) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 119:sc= 1.52 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -24:sc= 1 USER MOD Single : A 79 TYR OH : rot -74:sc= 1.09 USER MOD Single : A 81 TYR OH : rot 35:sc= 1.04 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot -169:sc= -1.55 USER MOD Single : A 86 HIS : no HE2:sc= -0.124 X(o=-0.12,f=-0.5) USER MOD Single : A 91 MET CE :methyl 169:sc= 0 (180deg=-0.0976) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.630 -0.085 -14.959 1.00 0.00 N ATOM 2 CA ALA A 1 3.070 -1.440 -15.209 1.00 0.00 C ATOM 3 C ALA A 1 3.770 -2.491 -14.337 1.00 0.00 C ATOM 4 O ALA A 1 4.937 -2.282 -14.020 1.00 0.00 O ATOM 5 CB ALA A 1 3.159 -1.801 -16.696 1.00 0.00 C ATOM 0 H1 ALA A 1 2.938 0.485 -14.432 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.505 -0.168 -14.403 1.00 0.00 H new ATOM 0 H3 ALA A 1 3.839 0.377 -15.867 1.00 0.00 H new ATOM 0 HA ALA A 1 2.016 -1.429 -14.932 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.743 -2.796 -16.854 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.595 -1.075 -17.281 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.202 -1.789 -17.012 1.00 0.00 H new ATOM 13 N ASN A 2 3.066 -3.587 -13.981 1.00 0.00 N ATOM 14 CA ASN A 2 3.447 -4.731 -13.126 1.00 0.00 C ATOM 15 C ASN A 2 4.440 -4.321 -12.027 1.00 0.00 C ATOM 16 O ASN A 2 5.646 -4.557 -12.122 1.00 0.00 O ATOM 17 CB ASN A 2 3.951 -5.905 -13.992 1.00 0.00 C ATOM 18 CG ASN A 2 3.708 -7.205 -13.242 1.00 0.00 C ATOM 19 OD1 ASN A 2 4.542 -7.749 -12.526 1.00 0.00 O ATOM 20 ND2 ASN A 2 2.473 -7.649 -13.296 1.00 0.00 N ATOM 0 H ASN A 2 2.112 -3.704 -14.324 1.00 0.00 H new ATOM 0 HA ASN A 2 2.559 -5.079 -12.599 1.00 0.00 H new ATOM 0 HB2 ASN A 2 3.431 -5.919 -14.950 1.00 0.00 H new ATOM 0 HB3 ASN A 2 5.013 -5.786 -14.208 1.00 0.00 H new ATOM 0 HD21 ASN A 2 2.197 -8.457 -12.738 1.00 0.00 H new ATOM 0 HD22 ASN A 2 1.790 -7.186 -13.896 1.00 0.00 H new ATOM 27 N ALA A 3 3.905 -3.692 -10.976 1.00 0.00 N ATOM 28 CA ALA A 3 4.690 -3.178 -9.870 1.00 0.00 C ATOM 29 C ALA A 3 4.853 -4.086 -8.643 1.00 0.00 C ATOM 30 O ALA A 3 4.274 -5.162 -8.496 1.00 0.00 O ATOM 31 CB ALA A 3 4.120 -1.800 -9.510 1.00 0.00 C ATOM 0 H ALA A 3 2.903 -3.528 -10.876 1.00 0.00 H new ATOM 0 HA ALA A 3 5.721 -3.117 -10.217 1.00 0.00 H new ATOM 0 HB1 ALA A 3 4.685 -1.378 -8.679 1.00 0.00 H new ATOM 0 HB2 ALA A 3 4.195 -1.138 -10.373 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.074 -1.903 -9.222 1.00 0.00 H new ATOM 37 N THR A 4 5.708 -3.603 -7.745 1.00 0.00 N ATOM 38 CA THR A 4 6.173 -4.156 -6.486 1.00 0.00 C ATOM 39 C THR A 4 6.506 -2.944 -5.626 1.00 0.00 C ATOM 40 O THR A 4 6.915 -1.909 -6.157 1.00 0.00 O ATOM 41 CB THR A 4 7.438 -4.999 -6.741 1.00 0.00 C ATOM 42 OG1 THR A 4 7.179 -5.947 -7.754 1.00 0.00 O ATOM 43 CG2 THR A 4 7.927 -5.764 -5.512 1.00 0.00 C ATOM 0 H THR A 4 6.144 -2.696 -7.911 1.00 0.00 H new ATOM 0 HA THR A 4 5.437 -4.801 -6.007 1.00 0.00 H new ATOM 0 HB THR A 4 8.214 -4.289 -7.027 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.985 -6.481 -7.916 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.820 -6.334 -5.769 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.163 -5.059 -4.715 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.147 -6.446 -5.174 1.00 0.00 H new ATOM 51 N VAL A 5 6.319 -3.042 -4.312 1.00 0.00 N ATOM 52 CA VAL A 5 6.657 -1.947 -3.407 1.00 0.00 C ATOM 53 C VAL A 5 7.058 -2.507 -2.057 1.00 0.00 C ATOM 54 O VAL A 5 6.655 -3.593 -1.637 1.00 0.00 O ATOM 55 CB VAL A 5 5.525 -0.865 -3.320 1.00 0.00 C ATOM 56 CG1 VAL A 5 4.214 -1.138 -4.084 1.00 0.00 C ATOM 57 CG2 VAL A 5 5.270 -0.277 -1.924 1.00 0.00 C ATOM 0 H VAL A 5 5.936 -3.867 -3.851 1.00 0.00 H new ATOM 0 HA VAL A 5 7.515 -1.412 -3.814 1.00 0.00 H new ATOM 0 HB VAL A 5 6.004 -0.078 -3.902 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.525 -0.307 -3.933 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.428 -1.244 -5.148 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.761 -2.057 -3.712 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.469 0.460 -1.980 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.982 -1.075 -1.240 1.00 0.00 H new ATOM 0 HG23 VAL A 5 6.179 0.203 -1.560 1.00 0.00 H new ATOM 67 N LYS A 6 7.906 -1.743 -1.377 1.00 0.00 N ATOM 68 CA LYS A 6 8.414 -2.122 -0.061 1.00 0.00 C ATOM 69 C LYS A 6 7.824 -1.153 0.941 1.00 0.00 C ATOM 70 O LYS A 6 7.914 0.052 0.751 1.00 0.00 O ATOM 71 CB LYS A 6 9.945 -2.022 -0.027 1.00 0.00 C ATOM 72 CG LYS A 6 10.667 -2.748 -1.173 1.00 0.00 C ATOM 73 CD LYS A 6 12.089 -2.223 -1.378 1.00 0.00 C ATOM 74 CE LYS A 6 12.964 -2.257 -0.121 1.00 0.00 C ATOM 75 NZ LYS A 6 13.964 -1.179 -0.189 1.00 0.00 N ATOM 0 H LYS A 6 8.259 -0.849 -1.718 1.00 0.00 H new ATOM 0 HA LYS A 6 8.137 -3.151 0.170 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.226 -0.969 -0.049 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.300 -2.427 0.921 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.702 -3.816 -0.960 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.099 -2.625 -2.095 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.572 -2.812 -2.158 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.035 -1.197 -1.741 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.346 -2.138 0.769 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.461 -3.224 -0.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.569 -1.213 0.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.550 -1.302 -1.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.481 -0.259 -0.232 1.00 0.00 H new ATOM 89 N MET A 7 7.142 -1.673 1.946 1.00 0.00 N ATOM 90 CA MET A 7 6.536 -0.936 3.049 1.00 0.00 C ATOM 91 C MET A 7 7.649 -0.823 4.090 1.00 0.00 C ATOM 92 O MET A 7 8.183 -1.850 4.513 1.00 0.00 O ATOM 93 CB MET A 7 5.321 -1.731 3.553 1.00 0.00 C ATOM 94 CG MET A 7 4.203 -1.893 2.513 1.00 0.00 C ATOM 95 SD MET A 7 3.424 -3.534 2.480 1.00 0.00 S ATOM 96 CE MET A 7 2.764 -3.662 4.165 1.00 0.00 C ATOM 0 H MET A 7 6.985 -2.678 2.022 1.00 0.00 H new ATOM 0 HA MET A 7 6.167 0.055 2.785 1.00 0.00 H new ATOM 0 HB2 MET A 7 5.653 -2.719 3.871 1.00 0.00 H new ATOM 0 HB3 MET A 7 4.914 -1.233 4.433 1.00 0.00 H new ATOM 0 HG2 MET A 7 3.434 -1.145 2.708 1.00 0.00 H new ATOM 0 HG3 MET A 7 4.612 -1.680 1.525 1.00 0.00 H new ATOM 0 HE1 MET A 7 2.154 -4.562 4.250 1.00 0.00 H new ATOM 0 HE2 MET A 7 3.589 -3.714 4.876 1.00 0.00 H new ATOM 0 HE3 MET A 7 2.152 -2.787 4.383 1.00 0.00 H new ATOM 106 N GLY A 8 7.980 0.393 4.537 1.00 0.00 N ATOM 107 CA GLY A 8 9.066 0.585 5.499 1.00 0.00 C ATOM 108 C GLY A 8 10.360 0.792 4.747 1.00 0.00 C ATOM 109 O GLY A 8 11.027 -0.182 4.370 1.00 0.00 O ATOM 0 H GLY A 8 7.514 1.253 4.249 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.858 1.446 6.134 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.146 -0.282 6.154 1.00 0.00 H new ATOM 113 N SER A 9 10.681 2.064 4.499 1.00 0.00 N ATOM 114 CA SER A 9 11.877 2.397 3.746 1.00 0.00 C ATOM 115 C SER A 9 13.108 1.823 4.457 1.00 0.00 C ATOM 116 O SER A 9 13.128 1.767 5.691 1.00 0.00 O ATOM 117 CB SER A 9 11.984 3.901 3.518 1.00 0.00 C ATOM 118 OG SER A 9 13.030 4.183 2.610 1.00 0.00 O ATOM 0 H SER A 9 10.132 2.867 4.807 1.00 0.00 H new ATOM 0 HA SER A 9 11.818 1.943 2.757 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.041 4.285 3.129 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.168 4.408 4.465 1.00 0.00 H new ATOM 0 HG SER A 9 12.681 4.169 1.694 1.00 0.00 H new ATOM 124 N ASP A 10 14.147 1.410 3.715 1.00 0.00 N ATOM 125 CA ASP A 10 15.344 0.808 4.329 1.00 0.00 C ATOM 126 C ASP A 10 16.077 1.732 5.314 1.00 0.00 C ATOM 127 O ASP A 10 16.867 1.252 6.126 1.00 0.00 O ATOM 128 CB ASP A 10 16.289 0.247 3.255 1.00 0.00 C ATOM 129 CG ASP A 10 15.872 -1.173 2.859 1.00 0.00 C ATOM 130 OD1 ASP A 10 15.552 -1.979 3.763 1.00 0.00 O ATOM 131 OD2 ASP A 10 15.833 -1.462 1.647 1.00 0.00 O ATOM 0 H ASP A 10 14.185 1.480 2.698 1.00 0.00 H new ATOM 0 HA ASP A 10 14.984 -0.021 4.939 1.00 0.00 H new ATOM 0 HB2 ASP A 10 16.276 0.894 2.378 1.00 0.00 H new ATOM 0 HB3 ASP A 10 17.312 0.240 3.631 1.00 0.00 H new ATOM 136 N SER A 11 15.789 3.040 5.280 1.00 0.00 N ATOM 137 CA SER A 11 16.370 4.018 6.208 1.00 0.00 C ATOM 138 C SER A 11 15.699 3.936 7.592 1.00 0.00 C ATOM 139 O SER A 11 16.185 4.520 8.564 1.00 0.00 O ATOM 140 CB SER A 11 16.266 5.434 5.629 1.00 0.00 C ATOM 141 OG SER A 11 14.931 5.904 5.581 1.00 0.00 O ATOM 0 H SER A 11 15.144 3.451 4.605 1.00 0.00 H new ATOM 0 HA SER A 11 17.425 3.779 6.338 1.00 0.00 H new ATOM 0 HB2 SER A 11 16.866 6.115 6.233 1.00 0.00 H new ATOM 0 HB3 SER A 11 16.688 5.444 4.624 1.00 0.00 H new ATOM 0 HG SER A 11 14.916 6.810 5.207 1.00 0.00 H new ATOM 147 N GLY A 12 14.607 3.152 7.671 1.00 0.00 N ATOM 148 CA GLY A 12 13.811 2.898 8.851 1.00 0.00 C ATOM 149 C GLY A 12 12.810 4.019 9.013 1.00 0.00 C ATOM 150 O GLY A 12 12.794 4.708 10.024 1.00 0.00 O ATOM 0 H GLY A 12 14.249 2.657 6.854 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.296 1.942 8.760 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.451 2.833 9.731 1.00 0.00 H new ATOM 154 N ALA A 13 11.985 4.202 7.984 1.00 0.00 N ATOM 155 CA ALA A 13 10.984 5.249 7.933 1.00 0.00 C ATOM 156 C ALA A 13 9.668 4.637 7.470 1.00 0.00 C ATOM 157 O ALA A 13 9.632 3.865 6.507 1.00 0.00 O ATOM 158 CB ALA A 13 11.472 6.372 7.010 1.00 0.00 C ATOM 0 H ALA A 13 11.999 3.613 7.151 1.00 0.00 H new ATOM 0 HA ALA A 13 10.820 5.691 8.916 1.00 0.00 H new ATOM 0 HB1 ALA A 13 10.721 7.161 6.969 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.407 6.779 7.395 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.635 5.975 6.008 1.00 0.00 H new ATOM 164 N LEU A 14 8.584 4.969 8.171 1.00 0.00 N ATOM 165 CA LEU A 14 7.219 4.534 7.875 1.00 0.00 C ATOM 166 C LEU A 14 6.664 5.135 6.571 1.00 0.00 C ATOM 167 O LEU A 14 5.735 5.938 6.546 1.00 0.00 O ATOM 168 CB LEU A 14 6.309 4.777 9.106 1.00 0.00 C ATOM 169 CG LEU A 14 6.332 6.118 9.892 1.00 0.00 C ATOM 170 CD1 LEU A 14 7.296 6.116 11.083 1.00 0.00 C ATOM 171 CD2 LEU A 14 6.579 7.397 9.089 1.00 0.00 C ATOM 0 H LEU A 14 8.635 5.572 8.992 1.00 0.00 H new ATOM 0 HA LEU A 14 7.237 3.461 7.685 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.282 4.624 8.774 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.532 3.988 9.824 1.00 0.00 H new ATOM 0 HG LEU A 14 5.296 6.156 10.230 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.258 7.084 11.583 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.006 5.334 11.784 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.310 5.929 10.730 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.569 8.256 9.760 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.548 7.334 8.594 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.796 7.513 8.340 1.00 0.00 H new ATOM 183 N VAL A 15 7.260 4.725 5.450 1.00 0.00 N ATOM 184 CA VAL A 15 6.851 5.136 4.117 1.00 0.00 C ATOM 185 C VAL A 15 7.143 3.969 3.181 1.00 0.00 C ATOM 186 O VAL A 15 8.066 3.177 3.396 1.00 0.00 O ATOM 187 CB VAL A 15 7.541 6.457 3.712 1.00 0.00 C ATOM 188 CG1 VAL A 15 9.074 6.370 3.718 1.00 0.00 C ATOM 189 CG2 VAL A 15 7.058 6.966 2.346 1.00 0.00 C ATOM 0 H VAL A 15 8.055 4.086 5.449 1.00 0.00 H new ATOM 0 HA VAL A 15 5.785 5.360 4.070 1.00 0.00 H new ATOM 0 HB VAL A 15 7.249 7.173 4.480 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.494 7.332 3.424 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.420 6.114 4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.398 5.603 3.015 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.570 7.897 2.103 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.277 6.221 1.582 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.983 7.142 2.383 1.00 0.00 H new ATOM 199 N PHE A 16 6.303 3.845 2.161 1.00 0.00 N ATOM 200 CA PHE A 16 6.373 2.857 1.100 1.00 0.00 C ATOM 201 C PHE A 16 7.055 3.388 -0.158 1.00 0.00 C ATOM 202 O PHE A 16 6.890 4.545 -0.564 1.00 0.00 O ATOM 203 CB PHE A 16 4.976 2.246 0.889 1.00 0.00 C ATOM 204 CG PHE A 16 3.770 3.107 1.205 1.00 0.00 C ATOM 205 CD1 PHE A 16 3.744 4.490 0.951 1.00 0.00 C ATOM 206 CD2 PHE A 16 2.714 2.512 1.919 1.00 0.00 C ATOM 207 CE1 PHE A 16 2.649 5.261 1.365 1.00 0.00 C ATOM 208 CE2 PHE A 16 1.633 3.283 2.364 1.00 0.00 C ATOM 209 CZ PHE A 16 1.589 4.648 2.056 1.00 0.00 C ATOM 0 H PHE A 16 5.507 4.472 2.049 1.00 0.00 H new ATOM 0 HA PHE A 16 7.031 2.041 1.398 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.901 1.935 -0.153 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.911 1.343 1.496 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.569 4.959 0.436 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.737 1.452 2.126 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.620 6.320 1.154 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.840 2.829 2.940 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.733 5.236 2.352 1.00 0.00 H new ATOM 219 N GLU A 17 7.853 2.492 -0.748 1.00 0.00 N ATOM 220 CA GLU A 17 8.670 2.740 -1.926 1.00 0.00 C ATOM 221 C GLU A 17 8.361 1.739 -3.043 1.00 0.00 C ATOM 222 O GLU A 17 8.762 0.577 -2.928 1.00 0.00 O ATOM 223 CB GLU A 17 10.166 2.798 -1.522 1.00 0.00 C ATOM 224 CG GLU A 17 10.741 1.622 -0.701 1.00 0.00 C ATOM 225 CD GLU A 17 11.990 1.925 0.158 1.00 0.00 C ATOM 226 OE1 GLU A 17 12.323 3.115 0.389 1.00 0.00 O ATOM 227 OE2 GLU A 17 12.580 0.945 0.688 1.00 0.00 O ATOM 0 H GLU A 17 7.946 1.538 -0.399 1.00 0.00 H new ATOM 0 HA GLU A 17 8.421 3.714 -2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.755 2.888 -2.435 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.322 3.713 -0.950 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.956 1.250 -0.042 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.989 0.814 -1.390 1.00 0.00 H new ATOM 234 N PRO A 18 7.607 2.143 -4.095 1.00 0.00 N ATOM 235 CA PRO A 18 6.978 3.464 -4.302 1.00 0.00 C ATOM 236 C PRO A 18 5.624 3.754 -3.603 1.00 0.00 C ATOM 237 O PRO A 18 4.698 2.939 -3.613 1.00 0.00 O ATOM 238 CB PRO A 18 6.810 3.614 -5.809 1.00 0.00 C ATOM 239 CG PRO A 18 6.702 2.175 -6.306 1.00 0.00 C ATOM 240 CD PRO A 18 7.658 1.439 -5.373 1.00 0.00 C ATOM 0 HA PRO A 18 7.641 4.188 -3.828 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.919 4.191 -6.057 1.00 0.00 H new ATOM 0 HB3 PRO A 18 7.659 4.130 -6.257 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.684 1.793 -6.229 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.000 2.082 -7.350 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.361 0.397 -5.255 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.671 1.438 -5.776 1.00 0.00 H new ATOM 248 N SER A 19 5.509 5.002 -3.107 1.00 0.00 N ATOM 249 CA SER A 19 4.409 5.642 -2.346 1.00 0.00 C ATOM 250 C SER A 19 3.154 5.934 -3.170 1.00 0.00 C ATOM 251 O SER A 19 2.081 6.267 -2.656 1.00 0.00 O ATOM 252 CB SER A 19 4.877 6.992 -1.768 1.00 0.00 C ATOM 253 OG SER A 19 6.280 7.036 -1.598 1.00 0.00 O ATOM 0 H SER A 19 6.272 5.665 -3.244 1.00 0.00 H new ATOM 0 HA SER A 19 4.152 4.917 -1.573 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.567 7.798 -2.433 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.390 7.164 -0.808 1.00 0.00 H new ATOM 0 HG SER A 19 6.584 6.208 -1.170 1.00 0.00 H new ATOM 259 N THR A 20 3.316 5.907 -4.483 1.00 0.00 N ATOM 260 CA THR A 20 2.319 6.092 -5.520 1.00 0.00 C ATOM 261 C THR A 20 2.885 5.417 -6.744 1.00 0.00 C ATOM 262 O THR A 20 4.089 5.468 -6.988 1.00 0.00 O ATOM 263 CB THR A 20 1.972 7.564 -5.753 1.00 0.00 C ATOM 264 OG1 THR A 20 1.260 8.032 -4.627 1.00 0.00 O ATOM 265 CG2 THR A 20 1.137 7.844 -7.007 1.00 0.00 C ATOM 0 H THR A 20 4.238 5.739 -4.886 1.00 0.00 H new ATOM 0 HA THR A 20 1.364 5.650 -5.236 1.00 0.00 H new ATOM 0 HB THR A 20 2.920 8.080 -5.904 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.520 7.514 -3.837 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.944 8.914 -7.084 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.682 7.510 -7.889 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.190 7.308 -6.941 1.00 0.00 H new ATOM 273 N VAL A 21 2.024 4.750 -7.500 1.00 0.00 N ATOM 274 CA VAL A 21 2.486 4.018 -8.669 1.00 0.00 C ATOM 275 C VAL A 21 1.535 4.193 -9.826 1.00 0.00 C ATOM 276 O VAL A 21 0.334 4.396 -9.636 1.00 0.00 O ATOM 277 CB VAL A 21 2.776 2.565 -8.232 1.00 0.00 C ATOM 278 CG1 VAL A 21 1.533 1.768 -7.807 1.00 0.00 C ATOM 279 CG2 VAL A 21 3.566 1.804 -9.293 1.00 0.00 C ATOM 0 H VAL A 21 1.020 4.701 -7.329 1.00 0.00 H new ATOM 0 HA VAL A 21 3.423 4.414 -9.062 1.00 0.00 H new ATOM 0 HB VAL A 21 3.388 2.663 -7.335 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.829 0.760 -7.516 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.054 2.263 -6.962 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.833 1.714 -8.640 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.750 0.786 -8.949 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.995 1.776 -10.221 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.518 2.306 -9.468 1.00 0.00 H new ATOM 289 N THR A 22 2.125 4.137 -11.018 1.00 0.00 N ATOM 290 CA THR A 22 1.430 4.333 -12.266 1.00 0.00 C ATOM 291 C THR A 22 1.401 3.015 -13.034 1.00 0.00 C ATOM 292 O THR A 22 2.401 2.516 -13.570 1.00 0.00 O ATOM 293 CB THR A 22 2.073 5.540 -12.986 1.00 0.00 C ATOM 294 OG1 THR A 22 1.367 5.851 -14.165 1.00 0.00 O ATOM 295 CG2 THR A 22 3.542 5.363 -13.396 1.00 0.00 C ATOM 0 H THR A 22 3.121 3.950 -11.134 1.00 0.00 H new ATOM 0 HA THR A 22 0.379 4.595 -12.142 1.00 0.00 H new ATOM 0 HB THR A 22 2.027 6.332 -12.238 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.788 6.618 -14.606 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.893 6.268 -13.892 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.148 5.178 -12.509 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.630 4.517 -14.078 1.00 0.00 H new ATOM 303 N ILE A 23 0.222 2.410 -12.951 1.00 0.00 N ATOM 304 CA ILE A 23 -0.151 1.165 -13.600 1.00 0.00 C ATOM 305 C ILE A 23 -1.441 1.386 -14.413 1.00 0.00 C ATOM 306 O ILE A 23 -1.955 2.500 -14.425 1.00 0.00 O ATOM 307 CB ILE A 23 -0.270 0.024 -12.570 1.00 0.00 C ATOM 308 CG1 ILE A 23 -1.194 0.327 -11.388 1.00 0.00 C ATOM 309 CG2 ILE A 23 1.127 -0.378 -12.073 1.00 0.00 C ATOM 310 CD1 ILE A 23 -1.986 -0.941 -11.081 1.00 0.00 C ATOM 0 H ILE A 23 -0.540 2.800 -12.397 1.00 0.00 H new ATOM 0 HA ILE A 23 0.629 0.856 -14.296 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.740 -0.807 -13.095 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.614 0.635 -10.518 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.867 1.149 -11.630 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.036 -1.185 -11.345 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.730 -0.716 -12.916 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.608 0.481 -11.604 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.656 -0.757 -10.241 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.571 -1.225 -11.956 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.298 -1.747 -10.827 1.00 0.00 H new ATOM 322 N LYS A 24 -1.978 0.346 -15.072 1.00 0.00 N ATOM 323 CA LYS A 24 -3.171 0.455 -15.909 1.00 0.00 C ATOM 324 C LYS A 24 -4.395 -0.287 -15.414 1.00 0.00 C ATOM 325 O LYS A 24 -4.333 -1.031 -14.435 1.00 0.00 O ATOM 326 CB LYS A 24 -2.789 0.138 -17.381 1.00 0.00 C ATOM 327 CG LYS A 24 -2.342 -1.282 -17.782 1.00 0.00 C ATOM 328 CD LYS A 24 -3.485 -2.310 -17.879 1.00 0.00 C ATOM 329 CE LYS A 24 -3.062 -3.600 -18.601 1.00 0.00 C ATOM 330 NZ LYS A 24 -2.353 -4.565 -17.727 1.00 0.00 N ATOM 0 H LYS A 24 -1.590 -0.597 -15.035 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.513 1.488 -15.844 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.650 0.391 -17.999 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.985 0.820 -17.659 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.834 -1.231 -18.745 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.612 -1.638 -17.055 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.832 -2.557 -16.876 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.327 -1.862 -18.407 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.948 -4.081 -19.016 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.417 -3.341 -19.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.083 -5.402 -18.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.499 -4.118 -17.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.979 -4.853 -16.948 1.00 0.00 H new ATOM 344 N ALA A 25 -5.505 -0.035 -16.112 1.00 0.00 N ATOM 345 CA ALA A 25 -6.840 -0.556 -15.864 1.00 0.00 C ATOM 346 C ALA A 25 -6.931 -2.059 -16.153 1.00 0.00 C ATOM 347 O ALA A 25 -7.605 -2.525 -17.071 1.00 0.00 O ATOM 348 CB ALA A 25 -7.847 0.273 -16.670 1.00 0.00 C ATOM 0 H ALA A 25 -5.487 0.584 -16.923 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.081 -0.459 -14.806 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.854 -0.106 -16.494 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.792 1.316 -16.358 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.612 0.199 -17.732 1.00 0.00 H new ATOM 354 N GLY A 26 -6.189 -2.799 -15.331 1.00 0.00 N ATOM 355 CA GLY A 26 -6.013 -4.243 -15.285 1.00 0.00 C ATOM 356 C GLY A 26 -4.566 -4.630 -15.024 1.00 0.00 C ATOM 357 O GLY A 26 -4.039 -5.531 -15.685 1.00 0.00 O ATOM 0 H GLY A 26 -5.637 -2.347 -14.602 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.647 -4.661 -14.503 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.341 -4.679 -16.229 1.00 0.00 H new ATOM 361 N GLU A 27 -3.881 -3.908 -14.131 1.00 0.00 N ATOM 362 CA GLU A 27 -2.467 -4.157 -13.833 1.00 0.00 C ATOM 363 C GLU A 27 -2.190 -4.467 -12.341 1.00 0.00 C ATOM 364 O GLU A 27 -3.063 -4.223 -11.501 1.00 0.00 O ATOM 365 CB GLU A 27 -1.769 -2.917 -14.378 1.00 0.00 C ATOM 366 CG GLU A 27 -0.252 -2.933 -14.512 1.00 0.00 C ATOM 367 CD GLU A 27 0.195 -4.073 -15.413 1.00 0.00 C ATOM 368 OE1 GLU A 27 -0.009 -3.966 -16.646 1.00 0.00 O ATOM 369 OE2 GLU A 27 0.735 -5.033 -14.819 1.00 0.00 O ATOM 0 H GLU A 27 -4.288 -3.140 -13.598 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.087 -5.066 -14.300 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.186 -2.709 -15.363 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.036 -2.078 -13.735 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.092 -1.983 -14.921 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.204 -3.040 -13.528 1.00 0.00 H new ATOM 376 N GLU A 28 -0.986 -4.982 -11.986 1.00 0.00 N ATOM 377 CA GLU A 28 -0.690 -5.348 -10.577 1.00 0.00 C ATOM 378 C GLU A 28 0.318 -4.423 -9.880 1.00 0.00 C ATOM 379 O GLU A 28 1.103 -3.695 -10.500 1.00 0.00 O ATOM 380 CB GLU A 28 -0.248 -6.836 -10.434 1.00 0.00 C ATOM 381 CG GLU A 28 1.245 -7.181 -10.285 1.00 0.00 C ATOM 382 CD GLU A 28 1.536 -8.705 -10.278 1.00 0.00 C ATOM 383 OE1 GLU A 28 1.651 -9.280 -11.382 1.00 0.00 O ATOM 384 OE2 GLU A 28 1.915 -9.247 -9.211 1.00 0.00 O ATOM 0 H GLU A 28 -0.220 -5.150 -12.638 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.640 -5.212 -10.060 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.764 -7.246 -9.566 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.619 -7.371 -11.308 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.799 -6.718 -11.102 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.619 -6.745 -9.359 1.00 0.00 H new ATOM 391 N VAL A 29 0.287 -4.507 -8.547 1.00 0.00 N ATOM 392 CA VAL A 29 1.111 -3.827 -7.558 1.00 0.00 C ATOM 393 C VAL A 29 1.307 -4.813 -6.387 1.00 0.00 C ATOM 394 O VAL A 29 0.385 -5.020 -5.591 1.00 0.00 O ATOM 395 CB VAL A 29 0.377 -2.565 -7.078 1.00 0.00 C ATOM 396 CG1 VAL A 29 1.204 -1.821 -6.020 1.00 0.00 C ATOM 397 CG2 VAL A 29 0.085 -1.547 -8.188 1.00 0.00 C ATOM 0 H VAL A 29 -0.390 -5.120 -8.092 1.00 0.00 H new ATOM 0 HA VAL A 29 2.075 -3.528 -7.970 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.567 -2.939 -6.682 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.664 -0.931 -5.696 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.373 -2.475 -5.165 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.163 -1.528 -6.448 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.434 -0.687 -7.765 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.023 -1.220 -8.637 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.541 -2.010 -8.951 1.00 0.00 H new ATOM 407 N LYS A 30 2.487 -5.450 -6.270 1.00 0.00 N ATOM 408 CA LYS A 30 2.773 -6.449 -5.226 1.00 0.00 C ATOM 409 C LYS A 30 3.700 -5.960 -4.096 1.00 0.00 C ATOM 410 O LYS A 30 4.919 -6.086 -4.135 1.00 0.00 O ATOM 411 CB LYS A 30 3.230 -7.759 -5.923 1.00 0.00 C ATOM 412 CG LYS A 30 4.685 -7.849 -6.419 1.00 0.00 C ATOM 413 CD LYS A 30 4.872 -8.829 -7.591 1.00 0.00 C ATOM 414 CE LYS A 30 4.800 -8.101 -8.939 1.00 0.00 C ATOM 415 NZ LYS A 30 4.483 -9.026 -10.043 1.00 0.00 N ATOM 0 H LYS A 30 3.272 -5.285 -6.900 1.00 0.00 H new ATOM 0 HA LYS A 30 1.856 -6.647 -4.671 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.064 -8.582 -5.228 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.576 -7.927 -6.778 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.018 -6.858 -6.727 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.325 -8.157 -5.592 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.834 -9.333 -7.498 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.103 -9.600 -7.550 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.042 -7.319 -8.890 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.752 -7.609 -9.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.309 -8.482 -10.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.283 -9.674 -10.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.633 -9.575 -9.803 1.00 0.00 H new ATOM 429 N TRP A 31 3.108 -5.367 -3.061 1.00 0.00 N ATOM 430 CA TRP A 31 3.774 -4.870 -1.864 1.00 0.00 C ATOM 431 C TRP A 31 4.030 -5.819 -0.692 1.00 0.00 C ATOM 432 O TRP A 31 3.191 -6.638 -0.329 1.00 0.00 O ATOM 433 CB TRP A 31 3.109 -3.548 -1.463 1.00 0.00 C ATOM 434 CG TRP A 31 1.675 -3.191 -1.762 1.00 0.00 C ATOM 435 CD1 TRP A 31 0.653 -3.895 -2.308 1.00 0.00 C ATOM 436 CD2 TRP A 31 1.261 -1.814 -1.871 1.00 0.00 C ATOM 437 NE1 TRP A 31 -0.269 -3.024 -2.872 1.00 0.00 N ATOM 438 CE2 TRP A 31 0.087 -1.715 -2.662 1.00 0.00 C ATOM 439 CE3 TRP A 31 1.881 -0.627 -1.466 1.00 0.00 C ATOM 440 CZ2 TRP A 31 -0.415 -0.481 -3.097 1.00 0.00 C ATOM 441 CZ3 TRP A 31 1.388 0.610 -1.883 1.00 0.00 C ATOM 442 CH2 TRP A 31 0.257 0.690 -2.715 1.00 0.00 C ATOM 0 H TRP A 31 2.100 -5.214 -3.036 1.00 0.00 H new ATOM 0 HA TRP A 31 4.813 -4.727 -2.160 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.221 -3.469 -0.382 1.00 0.00 H new ATOM 0 HB3 TRP A 31 3.716 -2.758 -1.905 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.569 -4.972 -2.305 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -1.104 -3.319 -3.378 1.00 0.00 H new ATOM 0 HE3 TRP A 31 2.749 -0.668 -0.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.301 -0.432 -3.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 1.881 1.516 -1.563 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -0.094 1.652 -3.059 1.00 0.00 H new ATOM 453 N VAL A 32 5.244 -5.646 -0.138 1.00 0.00 N ATOM 454 CA VAL A 32 5.912 -6.377 0.953 1.00 0.00 C ATOM 455 C VAL A 32 6.383 -5.514 2.130 1.00 0.00 C ATOM 456 O VAL A 32 6.840 -4.392 1.950 1.00 0.00 O ATOM 457 CB VAL A 32 7.125 -7.098 0.311 1.00 0.00 C ATOM 458 CG1 VAL A 32 7.853 -8.051 1.274 1.00 0.00 C ATOM 459 CG2 VAL A 32 6.798 -7.910 -0.960 1.00 0.00 C ATOM 0 H VAL A 32 5.850 -4.903 -0.486 1.00 0.00 H new ATOM 0 HA VAL A 32 5.184 -7.057 1.396 1.00 0.00 H new ATOM 0 HB VAL A 32 7.767 -6.259 0.044 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.690 -8.520 0.758 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.224 -7.489 2.131 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.161 -8.820 1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.708 -8.378 -1.337 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.066 -8.681 -0.721 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.390 -7.245 -1.721 1.00 0.00 H new ATOM 469 N ASN A 33 6.316 -6.085 3.340 1.00 0.00 N ATOM 470 CA ASN A 33 6.747 -5.527 4.621 1.00 0.00 C ATOM 471 C ASN A 33 8.293 -5.583 4.650 1.00 0.00 C ATOM 472 O ASN A 33 8.870 -6.668 4.516 1.00 0.00 O ATOM 473 CB ASN A 33 6.110 -6.412 5.716 1.00 0.00 C ATOM 474 CG ASN A 33 6.616 -6.158 7.121 1.00 0.00 C ATOM 475 OD1 ASN A 33 7.724 -5.704 7.321 1.00 0.00 O ATOM 476 ND2 ASN A 33 5.857 -6.438 8.161 1.00 0.00 N ATOM 0 H ASN A 33 5.928 -7.022 3.453 1.00 0.00 H new ATOM 0 HA ASN A 33 6.442 -4.492 4.776 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.031 -6.260 5.702 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.288 -7.458 5.466 1.00 0.00 H new ATOM 0 HD21 ASN A 33 6.205 -6.272 9.105 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.922 -6.820 8.022 1.00 0.00 H new ATOM 483 N ASN A 34 8.972 -4.450 4.864 1.00 0.00 N ATOM 484 CA ASN A 34 10.431 -4.362 4.876 1.00 0.00 C ATOM 485 C ASN A 34 11.022 -3.595 6.075 1.00 0.00 C ATOM 486 O ASN A 34 12.160 -3.918 6.439 1.00 0.00 O ATOM 487 CB ASN A 34 10.885 -3.802 3.518 1.00 0.00 C ATOM 488 CG ASN A 34 12.389 -3.575 3.431 1.00 0.00 C ATOM 489 OD1 ASN A 34 13.189 -4.484 3.261 1.00 0.00 O ATOM 490 ND2 ASN A 34 12.820 -2.330 3.522 1.00 0.00 N ATOM 0 H ASN A 34 8.513 -3.556 5.036 1.00 0.00 H new ATOM 0 HA ASN A 34 10.831 -5.366 5.018 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.583 -4.491 2.729 1.00 0.00 H new ATOM 0 HB3 ASN A 34 10.371 -2.859 3.332 1.00 0.00 H new ATOM 0 HD21 ASN A 34 13.817 -2.129 3.450 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.155 -1.569 3.664 1.00 0.00 H new ATOM 497 N LYS A 35 10.346 -2.600 6.688 1.00 0.00 N ATOM 498 CA LYS A 35 10.946 -1.940 7.864 1.00 0.00 C ATOM 499 C LYS A 35 10.062 -1.028 8.708 1.00 0.00 C ATOM 500 O LYS A 35 9.055 -0.493 8.268 1.00 0.00 O ATOM 501 CB LYS A 35 12.259 -1.208 7.486 1.00 0.00 C ATOM 502 CG LYS A 35 13.408 -1.763 8.352 1.00 0.00 C ATOM 503 CD LYS A 35 14.799 -1.446 7.774 1.00 0.00 C ATOM 504 CE LYS A 35 15.493 -2.691 7.194 1.00 0.00 C ATOM 505 NZ LYS A 35 14.816 -3.244 5.997 1.00 0.00 N ATOM 0 H LYS A 35 9.430 -2.250 6.406 1.00 0.00 H new ATOM 0 HA LYS A 35 11.135 -2.786 8.525 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.480 -1.353 6.429 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.152 -0.135 7.645 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.334 -1.346 9.356 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.297 -2.843 8.446 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.701 -0.692 6.993 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.425 -1.016 8.556 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.521 -2.436 6.935 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.540 -3.462 7.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.218 -4.176 5.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.799 -3.343 6.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.955 -2.601 5.191 1.00 0.00 H new ATOM 519 N LEU A 36 10.507 -0.831 9.951 1.00 0.00 N ATOM 520 CA LEU A 36 9.837 -0.046 10.988 1.00 0.00 C ATOM 521 C LEU A 36 8.350 -0.428 11.108 1.00 0.00 C ATOM 522 O LEU A 36 7.440 0.386 10.949 1.00 0.00 O ATOM 523 CB LEU A 36 10.096 1.458 10.747 1.00 0.00 C ATOM 524 CG LEU A 36 9.731 2.356 11.951 1.00 0.00 C ATOM 525 CD1 LEU A 36 10.648 2.135 13.164 1.00 0.00 C ATOM 526 CD2 LEU A 36 9.826 3.817 11.523 1.00 0.00 C ATOM 0 H LEU A 36 11.386 -1.234 10.276 1.00 0.00 H new ATOM 0 HA LEU A 36 10.259 -0.280 11.965 1.00 0.00 H new ATOM 0 HB2 LEU A 36 11.149 1.601 10.505 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.523 1.781 9.878 1.00 0.00 H new ATOM 0 HG LEU A 36 8.718 2.092 12.257 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.342 2.794 13.977 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.575 1.098 13.491 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.678 2.357 12.886 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.570 4.460 12.365 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.843 4.035 11.195 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.133 4.001 10.702 1.00 0.00 H new ATOM 538 N SER A 37 8.151 -1.722 11.363 1.00 0.00 N ATOM 539 CA SER A 37 6.861 -2.375 11.577 1.00 0.00 C ATOM 540 C SER A 37 6.103 -1.773 12.776 1.00 0.00 C ATOM 541 O SER A 37 6.732 -1.236 13.693 1.00 0.00 O ATOM 542 CB SER A 37 7.087 -3.888 11.807 1.00 0.00 C ATOM 543 OG SER A 37 8.276 -4.372 11.192 1.00 0.00 O ATOM 0 H SER A 37 8.929 -2.378 11.429 1.00 0.00 H new ATOM 0 HA SER A 37 6.250 -2.215 10.689 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.133 -4.084 12.878 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.232 -4.441 11.418 1.00 0.00 H new ATOM 0 HG SER A 37 8.062 -5.146 10.630 1.00 0.00 H new ATOM 549 N PRO A 38 4.759 -1.900 12.820 1.00 0.00 N ATOM 550 CA PRO A 38 3.859 -2.521 11.838 1.00 0.00 C ATOM 551 C PRO A 38 3.532 -1.616 10.631 1.00 0.00 C ATOM 552 O PRO A 38 3.641 -0.385 10.645 1.00 0.00 O ATOM 553 CB PRO A 38 2.602 -2.862 12.632 1.00 0.00 C ATOM 554 CG PRO A 38 2.514 -1.699 13.618 1.00 0.00 C ATOM 555 CD PRO A 38 3.981 -1.449 13.968 1.00 0.00 C ATOM 0 HA PRO A 38 4.330 -3.394 11.386 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.721 -2.921 11.993 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.691 -3.821 13.142 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.049 -0.821 13.169 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.925 -1.957 14.498 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.158 -0.392 14.167 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.264 -1.995 14.868 1.00 0.00 H new ATOM 563 N HIS A 39 3.079 -2.295 9.580 1.00 0.00 N ATOM 564 CA HIS A 39 2.634 -1.774 8.299 1.00 0.00 C ATOM 565 C HIS A 39 1.381 -2.426 7.787 1.00 0.00 C ATOM 566 O HIS A 39 1.149 -3.609 7.948 1.00 0.00 O ATOM 567 CB HIS A 39 3.776 -1.754 7.268 1.00 0.00 C ATOM 568 CG HIS A 39 4.925 -2.740 7.325 1.00 0.00 C ATOM 569 ND1 HIS A 39 5.231 -3.560 8.383 1.00 0.00 N ATOM 570 CD2 HIS A 39 6.139 -2.387 6.797 1.00 0.00 C ATOM 571 CE1 HIS A 39 6.559 -3.560 8.546 1.00 0.00 C ATOM 572 NE2 HIS A 39 7.163 -2.866 7.590 1.00 0.00 N ATOM 0 H HIS A 39 3.010 -3.312 9.610 1.00 0.00 H new ATOM 0 HA HIS A 39 2.348 -0.736 8.471 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.315 -1.864 6.286 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.215 -0.757 7.304 1.00 0.00 H new ATOM 0 HD1 HIS A 39 4.560 -4.080 8.948 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.276 -1.816 5.891 1.00 0.00 H new ATOM 0 HE1 HIS A 39 7.074 -4.061 9.353 1.00 0.00 H new ATOM 580 N ASN A 40 0.556 -1.601 7.159 1.00 0.00 N ATOM 581 CA ASN A 40 -0.740 -1.972 6.640 1.00 0.00 C ATOM 582 C ASN A 40 -1.015 -1.285 5.298 1.00 0.00 C ATOM 583 O ASN A 40 -0.513 -0.193 5.029 1.00 0.00 O ATOM 584 CB ASN A 40 -1.622 -1.577 7.854 1.00 0.00 C ATOM 585 CG ASN A 40 -3.128 -1.544 7.789 1.00 0.00 C ATOM 586 OD1 ASN A 40 -3.681 -0.470 7.629 1.00 0.00 O ATOM 587 ND2 ASN A 40 -3.836 -2.611 8.093 1.00 0.00 N ATOM 0 H ASN A 40 0.785 -0.621 6.994 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.902 -3.011 6.352 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.360 -2.259 8.663 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.302 -0.581 8.160 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.848 -2.539 8.195 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.372 -3.510 8.227 1.00 0.00 H new ATOM 594 N ILE A 41 -1.811 -1.960 4.467 1.00 0.00 N ATOM 595 CA ILE A 41 -2.224 -1.448 3.172 1.00 0.00 C ATOM 596 C ILE A 41 -3.736 -1.303 3.180 1.00 0.00 C ATOM 597 O ILE A 41 -4.465 -2.256 2.924 1.00 0.00 O ATOM 598 CB ILE A 41 -1.721 -2.300 1.986 1.00 0.00 C ATOM 599 CG1 ILE A 41 -0.177 -2.274 1.831 1.00 0.00 C ATOM 600 CG2 ILE A 41 -2.336 -1.614 0.729 1.00 0.00 C ATOM 601 CD1 ILE A 41 0.475 -0.886 1.696 1.00 0.00 C ATOM 0 H ILE A 41 -2.187 -2.884 4.681 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.760 -0.474 3.017 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.005 -3.343 2.129 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.261 -2.775 2.694 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.088 -2.863 0.953 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.030 -2.155 -0.167 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.423 -1.623 0.805 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.985 -0.584 0.668 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.554 -0.999 1.594 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.078 -0.382 0.815 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.255 -0.293 2.583 1.00 0.00 H new ATOM 613 N VAL A 42 -4.207 -0.092 3.498 1.00 0.00 N ATOM 614 CA VAL A 42 -5.628 0.232 3.586 1.00 0.00 C ATOM 615 C VAL A 42 -5.974 1.409 2.686 1.00 0.00 C ATOM 616 O VAL A 42 -5.464 2.515 2.858 1.00 0.00 O ATOM 617 CB VAL A 42 -6.089 0.477 5.032 1.00 0.00 C ATOM 618 CG1 VAL A 42 -6.080 -0.852 5.794 1.00 0.00 C ATOM 619 CG2 VAL A 42 -5.266 1.520 5.798 1.00 0.00 C ATOM 0 H VAL A 42 -3.599 0.700 3.704 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.176 -0.641 3.231 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.095 0.891 4.965 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.406 -0.685 6.821 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.757 -1.555 5.308 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.071 -1.263 5.796 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.663 1.627 6.808 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.226 1.197 5.849 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.323 2.479 5.282 1.00 0.00 H new ATOM 629 N PHE A 43 -6.791 1.147 1.665 1.00 0.00 N ATOM 630 CA PHE A 43 -7.269 2.155 0.736 1.00 0.00 C ATOM 631 C PHE A 43 -8.345 3.018 1.436 1.00 0.00 C ATOM 632 O PHE A 43 -8.818 2.686 2.535 1.00 0.00 O ATOM 633 CB PHE A 43 -7.702 1.467 -0.571 1.00 0.00 C ATOM 634 CG PHE A 43 -6.550 1.152 -1.516 1.00 0.00 C ATOM 635 CD1 PHE A 43 -5.764 -0.003 -1.343 1.00 0.00 C ATOM 636 CD2 PHE A 43 -6.254 2.022 -2.583 1.00 0.00 C ATOM 637 CE1 PHE A 43 -4.691 -0.273 -2.208 1.00 0.00 C ATOM 638 CE2 PHE A 43 -5.187 1.752 -3.452 1.00 0.00 C ATOM 639 CZ PHE A 43 -4.389 0.614 -3.250 1.00 0.00 C ATOM 0 H PHE A 43 -7.141 0.211 1.463 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.489 2.858 0.443 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.222 0.541 -0.327 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.417 2.108 -1.087 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.988 -0.687 -0.538 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.855 2.907 -2.734 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.098 -1.165 -2.070 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.979 2.419 -4.276 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.545 0.423 -3.896 1.00 0.00 H new ATOM 649 N ALA A 44 -8.704 4.138 0.806 1.00 0.00 N ATOM 650 CA ALA A 44 -9.663 5.109 1.349 1.00 0.00 C ATOM 651 C ALA A 44 -11.103 5.121 0.802 1.00 0.00 C ATOM 652 O ALA A 44 -11.925 5.833 1.384 1.00 0.00 O ATOM 653 CB ALA A 44 -9.051 6.502 1.145 1.00 0.00 C ATOM 0 H ALA A 44 -8.334 4.402 -0.107 1.00 0.00 H new ATOM 0 HA ALA A 44 -9.804 4.802 2.385 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.731 7.259 1.535 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.100 6.562 1.673 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.887 6.675 0.081 1.00 0.00 H new ATOM 659 N ALA A 45 -11.441 4.343 -0.236 1.00 0.00 N ATOM 660 CA ALA A 45 -12.775 4.329 -0.853 1.00 0.00 C ATOM 661 C ALA A 45 -13.078 5.694 -1.506 1.00 0.00 C ATOM 662 O ALA A 45 -14.120 6.297 -1.243 1.00 0.00 O ATOM 663 CB ALA A 45 -13.865 3.898 0.155 1.00 0.00 C ATOM 0 H ALA A 45 -10.786 3.697 -0.677 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.783 3.579 -1.644 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -14.837 3.900 -0.338 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.646 2.895 0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -13.882 4.595 0.993 1.00 0.00 H new ATOM 669 N ASP A 46 -12.144 6.182 -2.348 1.00 0.00 N ATOM 670 CA ASP A 46 -12.203 7.443 -3.099 1.00 0.00 C ATOM 671 C ASP A 46 -13.586 7.692 -3.733 1.00 0.00 C ATOM 672 O ASP A 46 -14.020 8.847 -3.765 1.00 0.00 O ATOM 673 CB ASP A 46 -11.070 7.508 -4.149 1.00 0.00 C ATOM 674 CG ASP A 46 -9.644 7.444 -3.571 1.00 0.00 C ATOM 675 OD1 ASP A 46 -9.361 6.551 -2.744 1.00 0.00 O ATOM 676 OD2 ASP A 46 -8.767 8.249 -3.987 1.00 0.00 O ATOM 0 H ASP A 46 -11.279 5.673 -2.529 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.050 8.251 -2.384 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.198 6.685 -4.852 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.174 8.432 -4.718 1.00 0.00 H new ATOM 681 N GLY A 47 -14.276 6.644 -4.232 1.00 0.00 N ATOM 682 CA GLY A 47 -15.628 6.803 -4.802 1.00 0.00 C ATOM 683 C GLY A 47 -15.969 6.114 -6.117 1.00 0.00 C ATOM 684 O GLY A 47 -17.131 6.173 -6.530 1.00 0.00 O ATOM 0 H GLY A 47 -13.922 5.688 -4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -16.341 6.454 -4.055 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.803 7.870 -4.936 1.00 0.00 H new ATOM 688 N VAL A 48 -14.985 5.498 -6.780 1.00 0.00 N ATOM 689 CA VAL A 48 -15.232 4.763 -8.045 1.00 0.00 C ATOM 690 C VAL A 48 -14.537 3.398 -8.105 1.00 0.00 C ATOM 691 O VAL A 48 -14.777 2.594 -9.002 1.00 0.00 O ATOM 692 CB VAL A 48 -14.873 5.597 -9.292 1.00 0.00 C ATOM 693 CG1 VAL A 48 -15.842 6.770 -9.479 1.00 0.00 C ATOM 694 CG2 VAL A 48 -13.427 6.119 -9.275 1.00 0.00 C ATOM 0 H VAL A 48 -14.013 5.488 -6.472 1.00 0.00 H new ATOM 0 HA VAL A 48 -16.306 4.580 -8.051 1.00 0.00 H new ATOM 0 HB VAL A 48 -14.965 4.914 -10.137 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -15.560 7.337 -10.366 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -16.856 6.389 -9.599 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -15.800 7.420 -8.605 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -13.238 6.697 -10.179 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -13.279 6.753 -8.401 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.737 5.277 -9.233 1.00 0.00 H new ATOM 704 N ASP A 49 -13.703 3.158 -7.099 1.00 0.00 N ATOM 705 CA ASP A 49 -12.820 2.058 -6.762 1.00 0.00 C ATOM 706 C ASP A 49 -13.436 1.032 -5.791 1.00 0.00 C ATOM 707 O ASP A 49 -14.415 1.303 -5.093 1.00 0.00 O ATOM 708 CB ASP A 49 -11.567 2.688 -6.148 1.00 0.00 C ATOM 709 CG ASP A 49 -11.899 3.529 -4.903 1.00 0.00 C ATOM 710 OD1 ASP A 49 -12.699 4.496 -5.035 1.00 0.00 O ATOM 711 OD2 ASP A 49 -11.386 3.176 -3.820 1.00 0.00 O ATOM 0 H ASP A 49 -13.624 3.869 -6.372 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.605 1.488 -7.666 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.861 1.903 -5.878 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.076 3.317 -6.890 1.00 0.00 H new ATOM 716 N ALA A 50 -12.817 -0.153 -5.715 1.00 0.00 N ATOM 717 CA ALA A 50 -13.247 -1.263 -4.863 1.00 0.00 C ATOM 718 C ALA A 50 -12.276 -1.496 -3.706 1.00 0.00 C ATOM 719 O ALA A 50 -11.759 -2.595 -3.499 1.00 0.00 O ATOM 720 CB ALA A 50 -13.488 -2.491 -5.750 1.00 0.00 C ATOM 0 H ALA A 50 -11.982 -0.369 -6.259 1.00 0.00 H new ATOM 0 HA ALA A 50 -14.190 -1.025 -4.370 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -13.809 -3.329 -5.132 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -14.261 -2.264 -6.484 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.565 -2.754 -6.266 1.00 0.00 H new ATOM 726 N ASP A 51 -12.102 -0.462 -2.871 1.00 0.00 N ATOM 727 CA ASP A 51 -11.171 -0.510 -1.749 1.00 0.00 C ATOM 728 C ASP A 51 -11.336 -1.731 -0.822 1.00 0.00 C ATOM 729 O ASP A 51 -10.366 -2.442 -0.541 1.00 0.00 O ATOM 730 CB ASP A 51 -11.225 0.839 -1.013 1.00 0.00 C ATOM 731 CG ASP A 51 -12.220 0.923 0.136 1.00 0.00 C ATOM 732 OD1 ASP A 51 -13.401 0.560 -0.059 1.00 0.00 O ATOM 733 OD2 ASP A 51 -11.744 1.312 1.226 1.00 0.00 O ATOM 0 H ASP A 51 -12.602 0.423 -2.958 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.168 -0.662 -2.148 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.231 1.061 -0.626 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.466 1.618 -1.737 1.00 0.00 H new ATOM 738 N THR A 52 -12.580 -2.019 -0.423 1.00 0.00 N ATOM 739 CA THR A 52 -12.979 -3.159 0.425 1.00 0.00 C ATOM 740 C THR A 52 -12.653 -4.532 -0.185 1.00 0.00 C ATOM 741 O THR A 52 -12.860 -5.550 0.480 1.00 0.00 O ATOM 742 CB THR A 52 -14.480 -3.060 0.767 1.00 0.00 C ATOM 743 OG1 THR A 52 -14.866 -4.125 1.599 1.00 0.00 O ATOM 744 CG2 THR A 52 -15.400 -3.088 -0.456 1.00 0.00 C ATOM 0 H THR A 52 -13.376 -1.440 -0.692 1.00 0.00 H new ATOM 0 HA THR A 52 -12.383 -3.090 1.335 1.00 0.00 H new ATOM 0 HB THR A 52 -14.592 -2.094 1.260 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.263 -4.885 1.459 1.00 0.00 H new ATOM 0 HG21 THR A 52 -16.438 -3.014 -0.132 1.00 0.00 H new ATOM 0 HG22 THR A 52 -15.163 -2.248 -1.109 1.00 0.00 H new ATOM 0 HG23 THR A 52 -15.255 -4.022 -0.999 1.00 0.00 H new ATOM 752 N ALA A 53 -12.197 -4.568 -1.444 1.00 0.00 N ATOM 753 CA ALA A 53 -11.787 -5.757 -2.181 1.00 0.00 C ATOM 754 C ALA A 53 -10.301 -5.679 -2.591 1.00 0.00 C ATOM 755 O ALA A 53 -9.808 -6.626 -3.204 1.00 0.00 O ATOM 756 CB ALA A 53 -12.703 -5.937 -3.399 1.00 0.00 C ATOM 0 H ALA A 53 -12.101 -3.719 -2.001 1.00 0.00 H new ATOM 0 HA ALA A 53 -11.886 -6.630 -1.536 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.400 -6.825 -3.954 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -13.734 -6.052 -3.065 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.626 -5.062 -4.045 1.00 0.00 H new ATOM 762 N ALA A 54 -9.574 -4.601 -2.256 1.00 0.00 N ATOM 763 CA ALA A 54 -8.172 -4.419 -2.641 1.00 0.00 C ATOM 764 C ALA A 54 -7.249 -3.946 -1.504 1.00 0.00 C ATOM 765 O ALA A 54 -6.147 -3.483 -1.781 1.00 0.00 O ATOM 766 CB ALA A 54 -8.138 -3.478 -3.850 1.00 0.00 C ATOM 0 H ALA A 54 -9.949 -3.828 -1.706 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.762 -5.395 -2.901 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.105 -3.322 -4.161 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.702 -3.920 -4.671 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.583 -2.521 -3.579 1.00 0.00 H new ATOM 772 N LYS A 55 -7.659 -4.058 -0.237 1.00 0.00 N ATOM 773 CA LYS A 55 -6.875 -3.596 0.908 1.00 0.00 C ATOM 774 C LYS A 55 -6.907 -4.608 2.069 1.00 0.00 C ATOM 775 O LYS A 55 -7.794 -5.459 2.125 1.00 0.00 O ATOM 776 CB LYS A 55 -7.442 -2.203 1.221 1.00 0.00 C ATOM 777 CG LYS A 55 -8.634 -2.207 2.203 1.00 0.00 C ATOM 778 CD LYS A 55 -9.177 -0.793 2.401 1.00 0.00 C ATOM 779 CE LYS A 55 -10.385 -0.705 3.315 1.00 0.00 C ATOM 780 NZ LYS A 55 -10.710 0.719 3.541 1.00 0.00 N ATOM 0 H LYS A 55 -8.552 -4.476 0.023 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.806 -3.520 0.707 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.646 -1.585 1.637 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.756 -1.734 0.289 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.423 -2.855 1.821 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.320 -2.619 3.162 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.383 -0.166 2.808 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.443 -0.380 1.428 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.235 -1.219 2.867 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.177 -1.200 4.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.948 0.866 4.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.889 1.306 3.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.522 0.988 2.949 1.00 0.00 H new ATOM 794 N LEU A 56 -5.937 -4.511 2.986 1.00 0.00 N ATOM 795 CA LEU A 56 -5.816 -5.345 4.182 1.00 0.00 C ATOM 796 C LEU A 56 -7.041 -5.189 5.105 1.00 0.00 C ATOM 797 O LEU A 56 -7.768 -4.203 5.033 1.00 0.00 O ATOM 798 CB LEU A 56 -4.541 -5.021 4.964 1.00 0.00 C ATOM 799 CG LEU A 56 -3.236 -5.500 4.298 1.00 0.00 C ATOM 800 CD1 LEU A 56 -2.055 -5.244 5.244 1.00 0.00 C ATOM 801 CD2 LEU A 56 -3.189 -6.992 3.933 1.00 0.00 C ATOM 0 H LEU A 56 -5.188 -3.823 2.910 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.764 -6.379 3.840 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.484 -3.942 5.108 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.614 -5.472 5.954 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.183 -4.934 3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.132 -5.583 4.773 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.984 -4.177 5.457 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.209 -5.790 6.175 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.229 -7.224 3.471 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.311 -7.591 4.835 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.993 -7.221 3.233 1.00 0.00 H new ATOM 813 N SER A 57 -7.207 -6.093 6.071 1.00 0.00 N ATOM 814 CA SER A 57 -8.296 -6.208 7.051 1.00 0.00 C ATOM 815 C SER A 57 -8.330 -5.177 8.144 1.00 0.00 C ATOM 816 O SER A 57 -8.622 -5.535 9.280 1.00 0.00 O ATOM 817 CB SER A 57 -8.323 -7.656 7.561 1.00 0.00 C ATOM 818 OG SER A 57 -8.239 -8.519 6.438 1.00 0.00 O ATOM 0 H SER A 57 -6.519 -6.835 6.202 1.00 0.00 H new ATOM 0 HA SER A 57 -9.224 -5.971 6.531 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.491 -7.835 8.242 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.239 -7.846 8.120 1.00 0.00 H new ATOM 0 HG SER A 57 -8.253 -9.451 6.740 1.00 0.00 H new ATOM 824 N HIS A 58 -8.108 -3.922 7.726 1.00 0.00 N ATOM 825 CA HIS A 58 -7.994 -2.602 8.342 1.00 0.00 C ATOM 826 C HIS A 58 -7.142 -2.626 9.572 1.00 0.00 C ATOM 827 O HIS A 58 -6.156 -1.893 9.648 1.00 0.00 O ATOM 828 CB HIS A 58 -9.376 -1.960 8.596 1.00 0.00 C ATOM 829 CG HIS A 58 -9.568 -0.673 7.829 1.00 0.00 C ATOM 830 ND1 HIS A 58 -8.681 0.386 7.753 1.00 0.00 N ATOM 831 CD2 HIS A 58 -10.632 -0.382 7.020 1.00 0.00 C ATOM 832 CE1 HIS A 58 -9.180 1.267 6.859 1.00 0.00 C ATOM 833 NE2 HIS A 58 -10.371 0.843 6.404 1.00 0.00 N ATOM 0 H HIS A 58 -7.977 -3.799 6.722 1.00 0.00 H new ATOM 0 HA HIS A 58 -7.481 -1.962 7.624 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.158 -2.666 8.315 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -9.491 -1.764 9.662 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -7.811 0.484 8.276 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -11.514 -0.990 6.883 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -8.692 2.181 6.554 1.00 0.00 H new ATOM 841 N LYS A 59 -7.533 -3.481 10.505 1.00 0.00 N ATOM 842 CA LYS A 59 -6.786 -3.662 11.727 1.00 0.00 C ATOM 843 C LYS A 59 -5.841 -4.860 11.540 1.00 0.00 C ATOM 844 O LYS A 59 -4.892 -4.973 12.309 1.00 0.00 O ATOM 845 CB LYS A 59 -7.747 -3.749 12.927 1.00 0.00 C ATOM 846 CG LYS A 59 -7.182 -2.976 14.139 1.00 0.00 C ATOM 847 CD LYS A 59 -7.591 -1.481 14.213 1.00 0.00 C ATOM 848 CE LYS A 59 -7.066 -0.548 13.099 1.00 0.00 C ATOM 849 NZ LYS A 59 -7.469 0.871 13.332 1.00 0.00 N ATOM 0 H LYS A 59 -8.369 -4.061 10.432 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.151 -2.806 11.955 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.719 -3.341 12.651 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.905 -4.793 13.197 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.510 -3.472 15.052 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.094 -3.039 14.115 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.680 -1.428 14.212 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.254 -1.086 15.171 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.979 -0.614 13.051 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.449 -0.881 12.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.938 1.493 12.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.488 0.976 13.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.262 1.133 14.317 1.00 0.00 H new ATOM 863 N GLY A 60 -6.051 -5.738 10.527 1.00 0.00 N ATOM 864 CA GLY A 60 -5.132 -6.854 10.261 1.00 0.00 C ATOM 865 C GLY A 60 -3.949 -6.175 9.572 1.00 0.00 C ATOM 866 O GLY A 60 -4.140 -5.293 8.727 1.00 0.00 O ATOM 0 H GLY A 60 -6.846 -5.689 9.889 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.829 -7.354 11.181 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.590 -7.610 9.623 1.00 0.00 H new ATOM 870 N LEU A 61 -2.721 -6.570 9.891 1.00 0.00 N ATOM 871 CA LEU A 61 -1.520 -5.924 9.331 1.00 0.00 C ATOM 872 C LEU A 61 -0.232 -6.750 9.292 1.00 0.00 C ATOM 873 O LEU A 61 -0.197 -7.878 9.783 1.00 0.00 O ATOM 874 CB LEU A 61 -1.314 -4.629 10.158 1.00 0.00 C ATOM 875 CG LEU A 61 -0.743 -4.719 11.592 1.00 0.00 C ATOM 876 CD1 LEU A 61 -1.016 -3.382 12.278 1.00 0.00 C ATOM 877 CD2 LEU A 61 -1.329 -5.799 12.510 1.00 0.00 C ATOM 0 H LEU A 61 -2.522 -7.335 10.535 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.711 -5.754 8.271 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.654 -3.978 9.585 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.279 -4.127 10.223 1.00 0.00 H new ATOM 0 HG LEU A 61 0.307 -4.978 11.456 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.626 -3.409 13.295 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.527 -2.582 11.723 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.090 -3.200 12.306 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.841 -5.753 13.484 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.399 -5.632 12.632 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.164 -6.781 12.068 1.00 0.00 H new ATOM 889 N ALA A 62 0.833 -6.164 8.715 1.00 0.00 N ATOM 890 CA ALA A 62 2.156 -6.746 8.616 1.00 0.00 C ATOM 891 C ALA A 62 2.953 -6.215 9.803 1.00 0.00 C ATOM 892 O ALA A 62 3.462 -5.094 9.798 1.00 0.00 O ATOM 893 CB ALA A 62 2.726 -6.426 7.235 1.00 0.00 C ATOM 0 H ALA A 62 0.779 -5.237 8.293 1.00 0.00 H new ATOM 0 HA ALA A 62 2.176 -7.834 8.681 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.723 -6.857 7.144 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.077 -6.847 6.467 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.785 -5.345 7.107 1.00 0.00 H new ATOM 899 N PHE A 63 2.976 -7.010 10.867 1.00 0.00 N ATOM 900 CA PHE A 63 3.626 -6.700 12.134 1.00 0.00 C ATOM 901 C PHE A 63 5.102 -7.105 12.239 1.00 0.00 C ATOM 902 O PHE A 63 5.831 -6.463 12.991 1.00 0.00 O ATOM 903 CB PHE A 63 2.806 -7.352 13.259 1.00 0.00 C ATOM 904 CG PHE A 63 2.717 -8.868 13.164 1.00 0.00 C ATOM 905 CD1 PHE A 63 1.695 -9.473 12.406 1.00 0.00 C ATOM 906 CD2 PHE A 63 3.685 -9.676 13.793 1.00 0.00 C ATOM 907 CE1 PHE A 63 1.649 -10.872 12.269 1.00 0.00 C ATOM 908 CE2 PHE A 63 3.640 -11.075 13.658 1.00 0.00 C ATOM 909 CZ PHE A 63 2.624 -11.672 12.890 1.00 0.00 C ATOM 0 H PHE A 63 2.524 -7.924 10.870 1.00 0.00 H new ATOM 0 HA PHE A 63 3.647 -5.613 12.217 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.248 -7.084 14.219 1.00 0.00 H new ATOM 0 HB3 PHE A 63 1.798 -6.938 13.246 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.944 -8.860 11.929 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.466 -9.218 14.382 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.864 -11.332 11.687 1.00 0.00 H new ATOM 0 HE2 PHE A 63 4.384 -11.690 14.143 1.00 0.00 H new ATOM 0 HZ PHE A 63 2.593 -12.746 12.777 1.00 0.00 H new ATOM 919 N ALA A 64 5.549 -8.128 11.504 1.00 0.00 N ATOM 920 CA ALA A 64 6.924 -8.624 11.537 1.00 0.00 C ATOM 921 C ALA A 64 7.720 -7.991 10.381 1.00 0.00 C ATOM 922 O ALA A 64 7.718 -6.759 10.270 1.00 0.00 O ATOM 923 CB ALA A 64 6.886 -10.162 11.542 1.00 0.00 C ATOM 0 H ALA A 64 4.952 -8.643 10.857 1.00 0.00 H new ATOM 0 HA ALA A 64 7.452 -8.330 12.444 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.904 -10.551 11.566 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.343 -10.510 12.421 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.384 -10.516 10.642 1.00 0.00 H new ATOM 929 N ALA A 65 8.434 -8.794 9.582 1.00 0.00 N ATOM 930 CA ALA A 65 9.204 -8.394 8.412 1.00 0.00 C ATOM 931 C ALA A 65 9.154 -9.495 7.356 1.00 0.00 C ATOM 932 O ALA A 65 9.568 -10.617 7.652 1.00 0.00 O ATOM 933 CB ALA A 65 10.636 -8.023 8.815 1.00 0.00 C ATOM 0 H ALA A 65 8.489 -9.798 9.751 1.00 0.00 H new ATOM 0 HA ALA A 65 8.763 -7.501 7.969 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.198 -7.727 7.929 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.612 -7.195 9.523 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.118 -8.883 9.279 1.00 0.00 H new ATOM 939 N GLY A 66 8.650 -9.192 6.146 1.00 0.00 N ATOM 940 CA GLY A 66 8.512 -10.171 5.076 1.00 0.00 C ATOM 941 C GLY A 66 7.059 -10.481 4.719 1.00 0.00 C ATOM 942 O GLY A 66 6.849 -11.125 3.690 1.00 0.00 O ATOM 0 H GLY A 66 8.329 -8.258 5.892 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.026 -9.802 4.188 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.010 -11.094 5.372 1.00 0.00 H new ATOM 946 N GLU A 67 6.052 -10.090 5.522 1.00 0.00 N ATOM 947 CA GLU A 67 4.662 -10.358 5.121 1.00 0.00 C ATOM 948 C GLU A 67 4.314 -9.505 3.889 1.00 0.00 C ATOM 949 O GLU A 67 4.978 -8.509 3.598 1.00 0.00 O ATOM 950 CB GLU A 67 3.630 -10.122 6.239 1.00 0.00 C ATOM 951 CG GLU A 67 3.972 -10.724 7.611 1.00 0.00 C ATOM 952 CD GLU A 67 4.625 -9.681 8.523 1.00 0.00 C ATOM 953 OE1 GLU A 67 5.697 -9.151 8.148 1.00 0.00 O ATOM 954 OE2 GLU A 67 4.025 -9.337 9.565 1.00 0.00 O ATOM 0 H GLU A 67 6.166 -9.608 6.414 1.00 0.00 H new ATOM 0 HA GLU A 67 4.604 -11.421 4.885 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.494 -9.047 6.360 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.673 -10.530 5.914 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.065 -11.106 8.080 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.645 -11.572 7.482 1.00 0.00 H new ATOM 961 N SER A 68 3.263 -9.848 3.151 1.00 0.00 N ATOM 962 CA SER A 68 2.936 -9.086 1.947 1.00 0.00 C ATOM 963 C SER A 68 1.515 -9.302 1.491 1.00 0.00 C ATOM 964 O SER A 68 0.860 -10.256 1.922 1.00 0.00 O ATOM 965 CB SER A 68 3.870 -9.512 0.796 1.00 0.00 C ATOM 966 OG SER A 68 3.904 -10.914 0.596 1.00 0.00 O ATOM 0 H SER A 68 2.637 -10.627 3.356 1.00 0.00 H new ATOM 0 HA SER A 68 3.063 -8.033 2.199 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.546 -9.028 -0.125 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.879 -9.156 1.005 1.00 0.00 H new ATOM 0 HG SER A 68 4.510 -11.124 -0.145 1.00 0.00 H new ATOM 972 N PHE A 69 1.042 -8.385 0.634 1.00 0.00 N ATOM 973 CA PHE A 69 -0.302 -8.594 0.119 1.00 0.00 C ATOM 974 C PHE A 69 -0.169 -8.055 -1.327 1.00 0.00 C ATOM 975 O PHE A 69 0.523 -7.063 -1.567 1.00 0.00 O ATOM 976 CB PHE A 69 -1.416 -7.850 0.911 1.00 0.00 C ATOM 977 CG PHE A 69 -2.041 -6.597 0.394 1.00 0.00 C ATOM 978 CD1 PHE A 69 -1.296 -5.462 0.075 1.00 0.00 C ATOM 979 CD2 PHE A 69 -3.434 -6.628 0.182 1.00 0.00 C ATOM 980 CE1 PHE A 69 -1.955 -4.397 -0.536 1.00 0.00 C ATOM 981 CE2 PHE A 69 -4.084 -5.535 -0.397 1.00 0.00 C ATOM 982 CZ PHE A 69 -3.336 -4.416 -0.776 1.00 0.00 C ATOM 0 H PHE A 69 1.533 -7.553 0.307 1.00 0.00 H new ATOM 0 HA PHE A 69 -0.618 -9.635 0.195 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.224 -8.565 1.067 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.003 -7.616 1.892 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.240 -5.410 0.295 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.002 -7.501 0.468 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -1.384 -3.530 -0.834 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.153 -5.554 -0.550 1.00 0.00 H new ATOM 0 HZ PHE A 69 -3.818 -3.574 -1.250 1.00 0.00 H new ATOM 992 N THR A 70 -0.760 -8.691 -2.340 1.00 0.00 N ATOM 993 CA THR A 70 -0.691 -8.173 -3.717 1.00 0.00 C ATOM 994 C THR A 70 -2.050 -7.624 -4.122 1.00 0.00 C ATOM 995 O THR A 70 -3.095 -8.196 -3.790 1.00 0.00 O ATOM 996 CB THR A 70 -0.145 -9.230 -4.693 1.00 0.00 C ATOM 997 OG1 THR A 70 0.003 -8.647 -5.970 1.00 0.00 O ATOM 998 CG2 THR A 70 -0.966 -10.515 -4.788 1.00 0.00 C ATOM 0 H THR A 70 -1.288 -9.558 -2.240 1.00 0.00 H new ATOM 0 HA THR A 70 0.021 -7.349 -3.759 1.00 0.00 H new ATOM 0 HB THR A 70 0.816 -9.546 -4.287 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.352 -9.315 -6.596 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.498 -11.194 -5.501 1.00 0.00 H new ATOM 0 HG22 THR A 70 -1.010 -10.992 -3.809 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.976 -10.278 -5.122 1.00 0.00 H new ATOM 1006 N SER A 71 -2.015 -6.484 -4.825 1.00 0.00 N ATOM 1007 CA SER A 71 -3.184 -5.779 -5.303 1.00 0.00 C ATOM 1008 C SER A 71 -3.097 -5.657 -6.813 1.00 0.00 C ATOM 1009 O SER A 71 -2.120 -5.159 -7.374 1.00 0.00 O ATOM 1010 CB SER A 71 -3.315 -4.427 -4.613 1.00 0.00 C ATOM 1011 OG SER A 71 -2.228 -3.578 -4.930 1.00 0.00 O ATOM 0 H SER A 71 -1.141 -6.024 -5.078 1.00 0.00 H new ATOM 0 HA SER A 71 -4.088 -6.336 -5.057 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.249 -3.952 -4.914 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.364 -4.571 -3.534 1.00 0.00 H new ATOM 0 HG SER A 71 -2.561 -2.775 -5.382 1.00 0.00 H new ATOM 1017 N THR A 72 -4.172 -6.124 -7.430 1.00 0.00 N ATOM 1018 CA THR A 72 -4.405 -6.182 -8.871 1.00 0.00 C ATOM 1019 C THR A 72 -5.754 -5.516 -9.154 1.00 0.00 C ATOM 1020 O THR A 72 -6.806 -6.107 -8.928 1.00 0.00 O ATOM 1021 CB THR A 72 -4.331 -7.630 -9.410 1.00 0.00 C ATOM 1022 OG1 THR A 72 -3.096 -8.249 -9.091 1.00 0.00 O ATOM 1023 CG2 THR A 72 -4.490 -7.657 -10.936 1.00 0.00 C ATOM 0 H THR A 72 -4.961 -6.499 -6.903 1.00 0.00 H new ATOM 0 HA THR A 72 -3.619 -5.644 -9.400 1.00 0.00 H new ATOM 0 HB THR A 72 -5.146 -8.175 -8.933 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.087 -9.162 -9.446 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.434 -8.687 -11.289 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.456 -7.232 -11.209 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.693 -7.072 -11.395 1.00 0.00 H new ATOM 1031 N PHE A 73 -5.702 -4.271 -9.619 1.00 0.00 N ATOM 1032 CA PHE A 73 -6.830 -3.431 -10.005 1.00 0.00 C ATOM 1033 C PHE A 73 -6.950 -2.986 -11.460 1.00 0.00 C ATOM 1034 O PHE A 73 -5.986 -2.661 -12.155 1.00 0.00 O ATOM 1035 CB PHE A 73 -6.954 -2.315 -8.939 1.00 0.00 C ATOM 1036 CG PHE A 73 -5.757 -1.837 -8.139 1.00 0.00 C ATOM 1037 CD1 PHE A 73 -4.558 -1.331 -8.657 1.00 0.00 C ATOM 1038 CD2 PHE A 73 -5.872 -2.037 -6.750 1.00 0.00 C ATOM 1039 CE1 PHE A 73 -3.531 -0.952 -7.757 1.00 0.00 C ATOM 1040 CE2 PHE A 73 -4.871 -1.637 -5.862 1.00 0.00 C ATOM 1041 CZ PHE A 73 -3.688 -1.100 -6.367 1.00 0.00 C ATOM 0 H PHE A 73 -4.811 -3.791 -9.744 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.719 -4.062 -10.005 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -7.365 -1.441 -9.444 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -7.702 -2.648 -8.219 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.419 -1.231 -9.723 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -6.759 -2.513 -6.360 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -2.611 -0.542 -8.146 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.012 -1.743 -4.796 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.897 -0.800 -5.696 1.00 0.00 H new ATOM 1051 N THR A 74 -8.225 -3.049 -11.886 1.00 0.00 N ATOM 1052 CA THR A 74 -8.770 -2.774 -13.218 1.00 0.00 C ATOM 1053 C THR A 74 -9.778 -1.637 -13.362 1.00 0.00 C ATOM 1054 O THR A 74 -10.313 -1.460 -14.458 1.00 0.00 O ATOM 1055 CB THR A 74 -9.376 -4.092 -13.766 1.00 0.00 C ATOM 1056 OG1 THR A 74 -9.751 -3.968 -15.115 1.00 0.00 O ATOM 1057 CG2 THR A 74 -10.630 -4.548 -13.012 1.00 0.00 C ATOM 0 H THR A 74 -8.966 -3.320 -11.240 1.00 0.00 H new ATOM 0 HA THR A 74 -7.921 -2.408 -13.795 1.00 0.00 H new ATOM 0 HB THR A 74 -8.581 -4.826 -13.635 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.923 -3.026 -15.322 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.000 -5.476 -13.449 1.00 0.00 H new ATOM 0 HG22 THR A 74 -10.384 -4.714 -11.963 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.399 -3.779 -13.087 1.00 0.00 H new ATOM 1065 N GLU A 75 -10.031 -0.853 -12.317 1.00 0.00 N ATOM 1066 CA GLU A 75 -11.002 0.227 -12.319 1.00 0.00 C ATOM 1067 C GLU A 75 -10.339 1.618 -12.357 1.00 0.00 C ATOM 1068 O GLU A 75 -9.989 2.163 -11.306 1.00 0.00 O ATOM 1069 CB GLU A 75 -11.995 -0.028 -11.161 1.00 0.00 C ATOM 1070 CG GLU A 75 -11.621 0.175 -9.685 1.00 0.00 C ATOM 1071 CD GLU A 75 -10.686 -0.869 -9.065 1.00 0.00 C ATOM 1072 OE1 GLU A 75 -9.734 -1.334 -9.730 1.00 0.00 O ATOM 1073 OE2 GLU A 75 -10.910 -1.187 -7.872 1.00 0.00 O ATOM 0 H GLU A 75 -9.551 -0.958 -11.423 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.583 0.235 -13.241 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -12.863 0.604 -11.351 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -12.326 -1.062 -11.258 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -11.153 1.154 -9.583 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -12.541 0.199 -9.100 1.00 0.00 H new ATOM 1080 N PRO A 76 -10.188 2.196 -13.575 1.00 0.00 N ATOM 1081 CA PRO A 76 -9.541 3.486 -13.773 1.00 0.00 C ATOM 1082 C PRO A 76 -10.260 4.523 -12.917 1.00 0.00 C ATOM 1083 O PRO A 76 -11.467 4.722 -13.074 1.00 0.00 O ATOM 1084 CB PRO A 76 -9.630 3.803 -15.269 1.00 0.00 C ATOM 1085 CG PRO A 76 -10.799 2.972 -15.764 1.00 0.00 C ATOM 1086 CD PRO A 76 -10.806 1.768 -14.826 1.00 0.00 C ATOM 0 HA PRO A 76 -8.493 3.484 -13.472 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.798 4.866 -15.440 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -8.708 3.539 -15.786 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -11.736 3.527 -15.711 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -10.665 2.670 -16.803 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -11.824 1.420 -14.653 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.255 0.936 -15.263 1.00 0.00 H new ATOM 1094 N GLY A 77 -9.538 5.164 -11.994 1.00 0.00 N ATOM 1095 CA GLY A 77 -10.115 6.158 -11.087 1.00 0.00 C ATOM 1096 C GLY A 77 -9.189 6.726 -10.013 1.00 0.00 C ATOM 1097 O GLY A 77 -9.603 7.649 -9.312 1.00 0.00 O ATOM 0 H GLY A 77 -8.540 5.009 -11.855 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -10.491 6.988 -11.686 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.975 5.708 -10.591 1.00 0.00 H new ATOM 1101 N THR A 78 -7.943 6.232 -9.934 1.00 0.00 N ATOM 1102 CA THR A 78 -6.830 6.593 -9.058 1.00 0.00 C ATOM 1103 C THR A 78 -7.251 6.539 -7.596 1.00 0.00 C ATOM 1104 O THR A 78 -7.767 7.534 -7.080 1.00 0.00 O ATOM 1105 CB THR A 78 -6.181 7.955 -9.472 1.00 0.00 C ATOM 1106 OG1 THR A 78 -5.309 8.372 -8.435 1.00 0.00 O ATOM 1107 CG2 THR A 78 -7.093 9.154 -9.735 1.00 0.00 C ATOM 0 H THR A 78 -7.664 5.478 -10.562 1.00 0.00 H new ATOM 0 HA THR A 78 -6.042 5.850 -9.180 1.00 0.00 H new ATOM 0 HB THR A 78 -5.721 7.714 -10.430 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.497 7.823 -8.450 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.488 10.018 -10.011 1.00 0.00 H new ATOM 0 HG22 THR A 78 -7.780 8.917 -10.548 1.00 0.00 H new ATOM 0 HG23 THR A 78 -7.662 9.383 -8.834 1.00 0.00 H new ATOM 1115 N TYR A 79 -7.005 5.403 -6.905 1.00 0.00 N ATOM 1116 CA TYR A 79 -7.457 5.356 -5.529 1.00 0.00 C ATOM 1117 C TYR A 79 -6.341 5.582 -4.517 1.00 0.00 C ATOM 1118 O TYR A 79 -5.160 5.365 -4.798 1.00 0.00 O ATOM 1119 CB TYR A 79 -8.313 4.101 -5.205 1.00 0.00 C ATOM 1120 CG TYR A 79 -8.074 2.637 -5.565 1.00 0.00 C ATOM 1121 CD1 TYR A 79 -7.874 2.155 -6.885 1.00 0.00 C ATOM 1122 CD2 TYR A 79 -8.483 1.721 -4.574 1.00 0.00 C ATOM 1123 CE1 TYR A 79 -8.102 0.796 -7.184 1.00 0.00 C ATOM 1124 CE2 TYR A 79 -8.660 0.365 -4.853 1.00 0.00 C ATOM 1125 CZ TYR A 79 -8.496 -0.092 -6.162 1.00 0.00 C ATOM 1126 OH TYR A 79 -8.880 -1.355 -6.428 1.00 0.00 O ATOM 0 H TYR A 79 -6.531 4.572 -7.258 1.00 0.00 H new ATOM 0 HA TYR A 79 -8.128 6.209 -5.425 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -8.408 4.105 -4.119 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.298 4.327 -5.612 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -7.547 2.830 -7.662 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -8.664 2.079 -3.571 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -7.975 0.436 -8.194 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -8.921 -0.324 -4.064 1.00 0.00 H new ATOM 0 HH TYR A 79 -9.775 -1.348 -6.828 1.00 0.00 H new ATOM 1136 N THR A 80 -6.734 6.164 -3.383 1.00 0.00 N ATOM 1137 CA THR A 80 -5.885 6.544 -2.273 1.00 0.00 C ATOM 1138 C THR A 80 -5.808 5.429 -1.245 1.00 0.00 C ATOM 1139 O THR A 80 -6.736 4.642 -1.078 1.00 0.00 O ATOM 1140 CB THR A 80 -6.406 7.816 -1.568 1.00 0.00 C ATOM 1141 OG1 THR A 80 -6.821 8.795 -2.484 1.00 0.00 O ATOM 1142 CG2 THR A 80 -5.375 8.538 -0.700 1.00 0.00 C ATOM 0 H THR A 80 -7.713 6.393 -3.213 1.00 0.00 H new ATOM 0 HA THR A 80 -4.897 6.740 -2.688 1.00 0.00 H new ATOM 0 HB THR A 80 -7.217 7.424 -0.955 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.760 8.644 -2.721 1.00 0.00 H new ATOM 0 HG21 THR A 80 -5.833 9.417 -0.247 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.025 7.866 0.084 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.531 8.846 -1.317 1.00 0.00 H new ATOM 1150 N TYR A 81 -4.707 5.423 -0.498 1.00 0.00 N ATOM 1151 CA TYR A 81 -4.420 4.488 0.575 1.00 0.00 C ATOM 1152 C TYR A 81 -3.434 5.062 1.585 1.00 0.00 C ATOM 1153 O TYR A 81 -2.845 6.131 1.423 1.00 0.00 O ATOM 1154 CB TYR A 81 -3.918 3.154 -0.019 1.00 0.00 C ATOM 1155 CG TYR A 81 -2.495 3.204 -0.517 1.00 0.00 C ATOM 1156 CD1 TYR A 81 -2.175 4.000 -1.630 1.00 0.00 C ATOM 1157 CD2 TYR A 81 -1.485 2.522 0.182 1.00 0.00 C ATOM 1158 CE1 TYR A 81 -0.832 4.242 -1.953 1.00 0.00 C ATOM 1159 CE2 TYR A 81 -0.144 2.730 -0.172 1.00 0.00 C ATOM 1160 CZ TYR A 81 0.182 3.666 -1.172 1.00 0.00 C ATOM 1161 OH TYR A 81 1.467 4.021 -1.390 1.00 0.00 O ATOM 0 H TYR A 81 -3.959 6.103 -0.634 1.00 0.00 H new ATOM 0 HA TYR A 81 -5.343 4.301 1.124 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -4.000 2.376 0.740 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -4.571 2.866 -0.843 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.962 4.425 -2.236 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.739 1.844 0.984 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -0.580 4.867 -2.797 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.638 2.173 0.322 1.00 0.00 H new ATOM 0 HH TYR A 81 1.506 4.966 -1.646 1.00 0.00 H new ATOM 1171 N TYR A 82 -3.281 4.312 2.669 1.00 0.00 N ATOM 1172 CA TYR A 82 -2.451 4.608 3.816 1.00 0.00 C ATOM 1173 C TYR A 82 -2.266 3.347 4.662 1.00 0.00 C ATOM 1174 O TYR A 82 -2.650 2.251 4.252 1.00 0.00 O ATOM 1175 CB TYR A 82 -3.096 5.766 4.616 1.00 0.00 C ATOM 1176 CG TYR A 82 -4.536 5.549 5.051 1.00 0.00 C ATOM 1177 CD1 TYR A 82 -5.595 5.926 4.198 1.00 0.00 C ATOM 1178 CD2 TYR A 82 -4.818 4.993 6.312 1.00 0.00 C ATOM 1179 CE1 TYR A 82 -6.933 5.758 4.599 1.00 0.00 C ATOM 1180 CE2 TYR A 82 -6.152 4.825 6.721 1.00 0.00 C ATOM 1181 CZ TYR A 82 -7.210 5.230 5.877 1.00 0.00 C ATOM 1182 OH TYR A 82 -8.494 5.146 6.323 1.00 0.00 O ATOM 0 H TYR A 82 -3.769 3.422 2.771 1.00 0.00 H new ATOM 0 HA TYR A 82 -1.458 4.929 3.500 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.492 5.949 5.505 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -3.052 6.670 4.009 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -5.376 6.348 3.228 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -4.011 4.696 6.965 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -7.740 6.031 3.935 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.369 4.385 7.683 1.00 0.00 H new ATOM 0 HH TYR A 82 -8.503 4.757 7.223 1.00 0.00 H new ATOM 1192 N CYS A 83 -1.670 3.539 5.835 1.00 0.00 N ATOM 1193 CA CYS A 83 -1.421 2.509 6.841 1.00 0.00 C ATOM 1194 C CYS A 83 -2.070 2.881 8.194 1.00 0.00 C ATOM 1195 O CYS A 83 -1.612 3.824 8.842 1.00 0.00 O ATOM 1196 CB CYS A 83 0.095 2.367 6.964 1.00 0.00 C ATOM 1197 SG CYS A 83 0.710 1.385 8.337 1.00 0.00 S ATOM 0 H CYS A 83 -1.332 4.457 6.124 1.00 0.00 H new ATOM 0 HA CYS A 83 -1.868 1.561 6.544 1.00 0.00 H new ATOM 0 HB2 CYS A 83 0.471 1.930 6.039 1.00 0.00 H new ATOM 0 HB3 CYS A 83 0.524 3.366 7.042 1.00 0.00 H new ATOM 0 HG CYS A 83 1.996 1.546 8.444 1.00 0.00 H new ATOM 1202 N GLU A 84 -3.092 2.153 8.670 1.00 0.00 N ATOM 1203 CA GLU A 84 -3.775 2.455 9.951 1.00 0.00 C ATOM 1204 C GLU A 84 -2.878 2.869 11.148 1.00 0.00 C ATOM 1205 O GLU A 84 -3.168 3.897 11.759 1.00 0.00 O ATOM 1206 CB GLU A 84 -4.707 1.303 10.397 1.00 0.00 C ATOM 1207 CG GLU A 84 -6.161 1.397 9.919 1.00 0.00 C ATOM 1208 CD GLU A 84 -6.879 2.649 10.421 1.00 0.00 C ATOM 1209 OE1 GLU A 84 -6.832 2.935 11.642 1.00 0.00 O ATOM 1210 OE2 GLU A 84 -7.500 3.346 9.593 1.00 0.00 O ATOM 0 H GLU A 84 -3.472 1.340 8.185 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.346 3.347 9.695 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.287 0.363 10.040 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.705 1.260 11.486 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.180 1.387 8.829 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.705 0.514 10.255 1.00 0.00 H new ATOM 1217 N PRO A 85 -1.801 2.139 11.502 1.00 0.00 N ATOM 1218 CA PRO A 85 -0.901 2.509 12.609 1.00 0.00 C ATOM 1219 C PRO A 85 0.122 3.630 12.329 1.00 0.00 C ATOM 1220 O PRO A 85 0.907 3.969 13.212 1.00 0.00 O ATOM 1221 CB PRO A 85 -0.206 1.205 12.983 1.00 0.00 C ATOM 1222 CG PRO A 85 -0.126 0.472 11.650 1.00 0.00 C ATOM 1223 CD PRO A 85 -1.485 0.796 11.022 1.00 0.00 C ATOM 0 HA PRO A 85 -1.493 2.952 13.410 1.00 0.00 H new ATOM 0 HB2 PRO A 85 0.782 1.381 13.408 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -0.775 0.641 13.722 1.00 0.00 H new ATOM 0 HG2 PRO A 85 0.702 0.830 11.037 1.00 0.00 H new ATOM 0 HG3 PRO A 85 0.016 -0.601 11.783 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -1.436 0.765 9.934 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -2.245 0.077 11.328 1.00 0.00 H new ATOM 1231 N HIS A 86 0.153 4.200 11.124 1.00 0.00 N ATOM 1232 CA HIS A 86 1.132 5.243 10.774 1.00 0.00 C ATOM 1233 C HIS A 86 0.558 6.429 9.970 1.00 0.00 C ATOM 1234 O HIS A 86 1.317 7.299 9.530 1.00 0.00 O ATOM 1235 CB HIS A 86 2.353 4.570 10.107 1.00 0.00 C ATOM 1236 CG HIS A 86 3.310 3.868 11.054 1.00 0.00 C ATOM 1237 ND1 HIS A 86 3.694 2.538 11.035 1.00 0.00 N ATOM 1238 CD2 HIS A 86 4.073 4.496 12.004 1.00 0.00 C ATOM 1239 CE1 HIS A 86 4.667 2.386 11.955 1.00 0.00 C ATOM 1240 NE2 HIS A 86 4.942 3.554 12.560 1.00 0.00 N ATOM 0 H HIS A 86 -0.489 3.960 10.368 1.00 0.00 H new ATOM 0 HA HIS A 86 1.450 5.728 11.697 1.00 0.00 H new ATOM 0 HB2 HIS A 86 1.993 3.844 9.378 1.00 0.00 H new ATOM 0 HB3 HIS A 86 2.907 5.329 9.554 1.00 0.00 H new ATOM 0 HD1 HIS A 86 3.311 1.807 10.435 1.00 0.00 H new ATOM 0 HD2 HIS A 86 4.013 5.539 12.276 1.00 0.00 H new ATOM 0 HE1 HIS A 86 5.160 1.451 12.176 1.00 0.00 H new ATOM 1248 N ARG A 87 -0.779 6.517 9.844 1.00 0.00 N ATOM 1249 CA ARG A 87 -1.503 7.587 9.127 1.00 0.00 C ATOM 1250 C ARG A 87 -0.994 9.015 9.386 1.00 0.00 C ATOM 1251 O ARG A 87 -0.694 9.736 8.440 1.00 0.00 O ATOM 1252 CB ARG A 87 -3.028 7.489 9.378 1.00 0.00 C ATOM 1253 CG ARG A 87 -3.458 7.385 10.864 1.00 0.00 C ATOM 1254 CD ARG A 87 -4.787 8.087 11.208 1.00 0.00 C ATOM 1255 NE ARG A 87 -5.922 7.564 10.428 1.00 0.00 N ATOM 1256 CZ ARG A 87 -6.554 6.409 10.599 1.00 0.00 C ATOM 1257 NH1 ARG A 87 -6.391 5.658 11.671 1.00 0.00 N ATOM 1258 NH2 ARG A 87 -7.315 5.963 9.633 1.00 0.00 N ATOM 0 H ARG A 87 -1.407 5.824 10.251 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.291 7.405 8.073 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.507 8.365 8.940 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.410 6.618 8.846 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.542 6.331 11.130 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.669 7.809 11.485 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.994 7.964 12.271 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.687 9.157 11.024 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.261 8.157 9.670 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.758 5.958 12.412 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.898 4.777 11.759 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.413 6.500 8.771 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.811 5.078 9.741 1.00 0.00 H new ATOM 1272 N GLY A 88 -0.842 9.392 10.659 1.00 0.00 N ATOM 1273 CA GLY A 88 -0.410 10.723 11.127 1.00 0.00 C ATOM 1274 C GLY A 88 1.105 10.953 11.117 1.00 0.00 C ATOM 1275 O GLY A 88 1.564 12.071 11.346 1.00 0.00 O ATOM 0 H GLY A 88 -1.024 8.751 11.432 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.882 11.482 10.503 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.778 10.872 12.142 1.00 0.00 H new ATOM 1279 N ALA A 89 1.859 9.875 10.867 1.00 0.00 N ATOM 1280 CA ALA A 89 3.312 9.842 10.755 1.00 0.00 C ATOM 1281 C ALA A 89 3.759 9.958 9.287 1.00 0.00 C ATOM 1282 O ALA A 89 4.945 10.118 9.016 1.00 0.00 O ATOM 1283 CB ALA A 89 3.827 8.570 11.435 1.00 0.00 C ATOM 0 H ALA A 89 1.442 8.954 10.731 1.00 0.00 H new ATOM 0 HA ALA A 89 3.747 10.702 11.264 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.914 8.531 11.359 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.537 8.576 12.486 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.398 7.696 10.945 1.00 0.00 H new ATOM 1289 N GLY A 90 2.813 9.884 8.338 1.00 0.00 N ATOM 1290 CA GLY A 90 3.082 10.030 6.909 1.00 0.00 C ATOM 1291 C GLY A 90 2.980 8.758 6.077 1.00 0.00 C ATOM 1292 O GLY A 90 3.318 8.804 4.893 1.00 0.00 O ATOM 0 H GLY A 90 1.829 9.719 8.550 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.386 10.764 6.502 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.085 10.440 6.788 1.00 0.00 H new ATOM 1296 N MET A 91 2.515 7.630 6.634 1.00 0.00 N ATOM 1297 CA MET A 91 2.412 6.397 5.845 1.00 0.00 C ATOM 1298 C MET A 91 1.105 6.382 5.030 1.00 0.00 C ATOM 1299 O MET A 91 0.217 5.546 5.201 1.00 0.00 O ATOM 1300 CB MET A 91 2.604 5.173 6.741 1.00 0.00 C ATOM 1301 CG MET A 91 2.987 3.972 5.861 1.00 0.00 C ATOM 1302 SD MET A 91 3.810 2.609 6.724 1.00 0.00 S ATOM 1303 CE MET A 91 4.225 1.573 5.297 1.00 0.00 C ATOM 0 H MET A 91 2.211 7.547 7.604 1.00 0.00 H new ATOM 0 HA MET A 91 3.217 6.360 5.111 1.00 0.00 H new ATOM 0 HB2 MET A 91 3.383 5.364 7.479 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.688 4.961 7.292 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.084 3.587 5.387 1.00 0.00 H new ATOM 0 HG3 MET A 91 3.641 4.322 5.063 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.907 0.782 5.608 1.00 0.00 H new ATOM 0 HE2 MET A 91 3.315 1.129 4.892 1.00 0.00 H new ATOM 0 HE3 MET A 91 4.703 2.184 4.531 1.00 0.00 H new ATOM 1313 N VAL A 92 0.996 7.341 4.108 1.00 0.00 N ATOM 1314 CA VAL A 92 -0.121 7.638 3.202 1.00 0.00 C ATOM 1315 C VAL A 92 0.365 7.844 1.755 1.00 0.00 C ATOM 1316 O VAL A 92 1.451 8.383 1.531 1.00 0.00 O ATOM 1317 CB VAL A 92 -0.894 8.851 3.762 1.00 0.00 C ATOM 1318 CG1 VAL A 92 -0.039 10.111 3.944 1.00 0.00 C ATOM 1319 CG2 VAL A 92 -2.098 9.248 2.889 1.00 0.00 C ATOM 0 H VAL A 92 1.764 7.996 3.961 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.802 6.788 3.154 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.226 8.498 4.738 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.657 10.916 4.341 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.774 9.902 4.639 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.375 10.412 2.982 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.602 10.106 3.333 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.752 9.508 1.889 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.794 8.411 2.826 1.00 0.00 H new ATOM 1329 N GLY A 93 -0.452 7.431 0.773 1.00 0.00 N ATOM 1330 CA GLY A 93 -0.154 7.491 -0.662 1.00 0.00 C ATOM 1331 C GLY A 93 -1.388 7.438 -1.588 1.00 0.00 C ATOM 1332 O GLY A 93 -2.532 7.375 -1.133 1.00 0.00 O ATOM 0 H GLY A 93 -1.371 7.032 0.966 1.00 0.00 H new ATOM 0 HA2 GLY A 93 0.395 8.410 -0.866 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.507 6.662 -0.915 1.00 0.00 H new ATOM 1336 N LYS A 94 -1.165 7.422 -2.910 1.00 0.00 N ATOM 1337 CA LYS A 94 -2.211 7.323 -3.955 1.00 0.00 C ATOM 1338 C LYS A 94 -1.785 6.325 -5.043 1.00 0.00 C ATOM 1339 O LYS A 94 -0.676 5.820 -5.008 1.00 0.00 O ATOM 1340 CB LYS A 94 -2.546 8.742 -4.465 1.00 0.00 C ATOM 1341 CG LYS A 94 -3.575 8.795 -5.613 1.00 0.00 C ATOM 1342 CD LYS A 94 -4.304 10.144 -5.725 1.00 0.00 C ATOM 1343 CE LYS A 94 -5.568 10.164 -4.855 1.00 0.00 C ATOM 1344 NZ LYS A 94 -6.679 9.396 -5.472 1.00 0.00 N ATOM 0 H LYS A 94 -0.224 7.479 -3.300 1.00 0.00 H new ATOM 0 HA LYS A 94 -3.138 6.916 -3.552 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.924 9.332 -3.630 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.625 9.218 -4.800 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -3.067 8.587 -6.555 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.311 8.005 -5.466 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.635 10.948 -5.419 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.572 10.331 -6.765 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.340 9.747 -3.874 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.884 11.195 -4.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.294 9.015 -4.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.233 10.023 -6.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.289 8.612 -6.033 1.00 0.00 H new ATOM 1358 N VAL A 95 -2.637 5.952 -5.987 1.00 0.00 N ATOM 1359 CA VAL A 95 -2.317 5.009 -7.062 1.00 0.00 C ATOM 1360 C VAL A 95 -2.979 5.496 -8.338 1.00 0.00 C ATOM 1361 O VAL A 95 -3.999 6.175 -8.241 1.00 0.00 O ATOM 1362 CB VAL A 95 -2.868 3.611 -6.695 1.00 0.00 C ATOM 1363 CG1 VAL A 95 -2.252 2.542 -7.603 1.00 0.00 C ATOM 1364 CG2 VAL A 95 -2.482 3.158 -5.274 1.00 0.00 C ATOM 0 H VAL A 95 -3.594 6.302 -6.032 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.238 4.944 -7.201 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.949 3.705 -6.794 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.649 1.563 -7.334 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.499 2.760 -8.642 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.169 2.541 -7.481 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.900 2.170 -5.081 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.396 3.116 -5.188 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.876 3.867 -4.546 1.00 0.00 H new ATOM 1374 N VAL A 96 -2.410 5.206 -9.515 1.00 0.00 N ATOM 1375 CA VAL A 96 -2.956 5.551 -10.826 1.00 0.00 C ATOM 1376 C VAL A 96 -3.054 4.185 -11.463 1.00 0.00 C ATOM 1377 O VAL A 96 -2.034 3.536 -11.701 1.00 0.00 O ATOM 1378 CB VAL A 96 -2.069 6.565 -11.556 1.00 0.00 C ATOM 1379 CG1 VAL A 96 -2.384 6.708 -13.050 1.00 0.00 C ATOM 1380 CG2 VAL A 96 -2.214 7.944 -10.895 1.00 0.00 C ATOM 0 H VAL A 96 -1.523 4.706 -9.578 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.915 6.068 -10.825 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.051 6.184 -11.478 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.714 7.444 -13.494 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.247 5.746 -13.544 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.416 7.036 -13.174 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.583 8.665 -11.415 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.254 8.266 -10.950 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.908 7.881 -9.851 1.00 0.00 H new ATOM 1390 N VAL A 97 -4.291 3.729 -11.649 1.00 0.00 N ATOM 1391 CA VAL A 97 -4.616 2.412 -12.192 1.00 0.00 C ATOM 1392 C VAL A 97 -5.304 2.535 -13.550 1.00 0.00 C ATOM 1393 O VAL A 97 -6.354 1.970 -13.850 1.00 0.00 O ATOM 1394 CB VAL A 97 -5.382 1.626 -11.113 1.00 0.00 C ATOM 1395 CG1 VAL A 97 -4.705 1.707 -9.735 1.00 0.00 C ATOM 1396 CG2 VAL A 97 -6.837 2.066 -10.876 1.00 0.00 C ATOM 0 H VAL A 97 -5.118 4.281 -11.420 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.722 1.831 -12.418 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.373 0.618 -11.528 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.285 1.136 -9.010 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.698 1.295 -9.799 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.651 2.748 -9.417 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.282 1.447 -10.097 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.855 3.110 -10.564 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.406 1.953 -11.799 1.00 0.00 H new ATOM 1406 N GLU A 98 -4.593 3.272 -14.400 1.00 0.00 N ATOM 1407 CA GLU A 98 -4.859 3.687 -15.755 1.00 0.00 C ATOM 1408 C GLU A 98 -3.599 4.193 -16.502 1.00 0.00 C ATOM 1409 O GLU A 98 -3.210 5.374 -16.371 1.00 0.00 O ATOM 1410 CB GLU A 98 -6.039 4.672 -15.718 1.00 0.00 C ATOM 1411 CG GLU A 98 -5.837 5.894 -14.803 1.00 0.00 C ATOM 1412 CD GLU A 98 -6.801 5.899 -13.609 1.00 0.00 C ATOM 1413 OE1 GLU A 98 -7.938 6.362 -13.832 1.00 0.00 O ATOM 1414 OE2 GLU A 98 -6.432 5.469 -12.480 1.00 0.00 O ATOM 1415 OXT GLU A 98 -3.009 3.326 -17.185 1.00 0.00 O ATOM 0 H GLU A 98 -3.690 3.638 -14.099 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.149 2.830 -16.363 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.231 5.024 -16.732 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.930 4.136 -15.392 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.810 5.904 -14.437 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.978 6.806 -15.383 1.00 0.00 H new TER 1422 GLU A 98