USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 596 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: B 114 TYR OH : rot 150:sc= -1.04! USER MOD Set 1.2: B 123 ASN : amide:sc= -3.64! C(o=-4.7!,f=-6.2!) USER MOD Set 2.1: A 31 THR OG1 : rot 70:sc= 0.85 USER MOD Set 2.2: B 131 THR OG1 : rot -149:sc= 0.00926 USER MOD Set 3.1: A 15 GLN : amide:sc= 0.0671 X(o=-1.6,f=-2.1) USER MOD Set 3.2: B 103 GLN : amide:sc= -1.69 K(o=-1.6,f=-3.4!) USER MOD Set 4.1: A 14 TYR OH : rot 165:sc= -0.153 USER MOD Set 4.2: A 23 ASN : amide:sc= -2.47! C(o=-2.6!,f=-3.9!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc=-0.00421 K(o=-0.0042,f=-1) USER MOD Single : A 6 THR OG1 : rot -100:sc= -2.89! USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 110:sc= -2.18 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot -153:sc= 1.11 USER MOD Single : A 25 SER OG : rot 180:sc= -0.0444 USER MOD Single : A 29 SER OG : rot 169:sc= 0.796 USER MOD Single : A 30 THR OG1 : rot 95:sc= 0.0991 USER MOD Single : A 32 MET CE :methyl 154:sc= -15.9! (180deg=-16.4!) USER MOD Single : A 33 GLN : amide:sc=-0.00438 X(o=-0.0044,f=0) USER MOD Single : A 34 ASN : amide:sc= -1.82! C(o=-1.8!,f=-1.1!) USER MOD Single : B 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 106 THR OG1 : rot -27:sc= -2.04! USER MOD Single : B 108 THR OG1 : rot 39:sc= 0.747 USER MOD Single : B 111 SER OG : rot 180:sc= 0 USER MOD Single : B 113 SER OG : rot 130:sc= -0.0958 USER MOD Single : B 115 GLN : amide:sc= -0.367 K(o=-0.37,f=-5.1!) USER MOD Single : B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 120 TYR OH : rot -144:sc= 1.12 USER MOD Single : B 125 SER OG : rot 180:sc= 0 USER MOD Single : B 129 SER OG : rot 180:sc= -0.594 USER MOD Single : B 130 THR OG1 : rot 180:sc= 0 USER MOD Single : B 132 MET CE :methyl -171:sc= -18.4! (180deg=-18.7!) USER MOD Single : B 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 134 ASN : amide:sc= 0.841 K(o=0.84,f=-6.5!) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -13.632 -12.878 -19.106 1.00 0.00 N ATOM 21 CA LYS A 2 -13.391 -12.346 -17.763 1.00 0.00 C ATOM 22 C LYS A 2 -12.127 -12.958 -17.166 1.00 0.00 C ATOM 23 O LYS A 2 -11.857 -14.149 -17.341 1.00 0.00 O ATOM 24 CB LYS A 2 -14.580 -12.590 -16.817 1.00 0.00 C ATOM 25 CG LYS A 2 -15.647 -13.527 -17.370 1.00 0.00 C ATOM 26 CD LYS A 2 -16.917 -13.484 -16.529 1.00 0.00 C ATOM 27 CE LYS A 2 -17.867 -12.393 -17.002 1.00 0.00 C ATOM 28 NZ LYS A 2 -19.115 -12.352 -16.184 1.00 0.00 N ATOM 0 HA LYS A 2 -13.264 -11.268 -17.867 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.204 -13.001 -15.880 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -15.043 -11.632 -16.581 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.880 -13.249 -18.398 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -15.260 -14.546 -17.396 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -17.419 -14.450 -16.578 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -16.657 -13.312 -15.485 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -17.366 -11.427 -16.949 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -18.123 -12.562 -18.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -19.737 -11.596 -16.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -19.606 -13.266 -16.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -18.873 -12.165 -15.190 1.00 0.00 H new ATOM 42 N GLN A 3 -11.355 -12.133 -16.468 1.00 0.00 N ATOM 43 CA GLN A 3 -10.116 -12.580 -15.852 1.00 0.00 C ATOM 44 C GLN A 3 -10.103 -12.277 -14.370 1.00 0.00 C ATOM 45 O GLN A 3 -10.128 -11.121 -13.959 1.00 0.00 O ATOM 46 CB GLN A 3 -8.911 -11.927 -16.543 1.00 0.00 C ATOM 47 CG GLN A 3 -7.607 -12.156 -15.805 1.00 0.00 C ATOM 48 CD GLN A 3 -7.086 -13.575 -15.942 1.00 0.00 C ATOM 49 OE1 GLN A 3 -7.348 -14.252 -16.930 1.00 0.00 O ATOM 50 NE2 GLN A 3 -6.347 -14.034 -14.945 1.00 0.00 N ATOM 0 H GLN A 3 -11.568 -11.147 -16.315 1.00 0.00 H new ATOM 0 HA GLN A 3 -10.048 -13.661 -15.975 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -8.823 -12.321 -17.555 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -9.088 -10.855 -16.632 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -6.856 -11.462 -16.182 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -7.750 -11.928 -14.749 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -6.151 -13.439 -14.140 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -5.973 -14.982 -14.982 1.00 0.00 H new ATOM 59 N ARG A 4 -10.060 -13.327 -13.567 1.00 0.00 N ATOM 60 CA ARG A 4 -10.056 -13.149 -12.135 1.00 0.00 C ATOM 61 C ARG A 4 -8.678 -12.766 -11.621 1.00 0.00 C ATOM 62 O ARG A 4 -7.731 -13.553 -11.661 1.00 0.00 O ATOM 63 CB ARG A 4 -10.542 -14.397 -11.410 1.00 0.00 C ATOM 64 CG ARG A 4 -11.390 -14.059 -10.200 1.00 0.00 C ATOM 65 CD ARG A 4 -12.027 -15.298 -9.596 1.00 0.00 C ATOM 66 NE ARG A 4 -13.462 -15.375 -9.880 1.00 0.00 N ATOM 67 CZ ARG A 4 -13.996 -15.991 -10.927 1.00 0.00 C ATOM 68 NH1 ARG A 4 -13.232 -16.616 -11.801 1.00 0.00 N ATOM 69 NH2 ARG A 4 -15.307 -15.992 -11.096 1.00 0.00 N ATOM 0 H ARG A 4 -10.028 -14.297 -13.882 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.747 -12.333 -11.925 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -11.121 -15.013 -12.098 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -9.684 -14.991 -11.096 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -10.773 -13.565 -9.450 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -12.169 -13.353 -10.487 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -11.532 -16.187 -9.988 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -11.871 -15.296 -8.517 1.00 0.00 H new ATOM 0 HE ARG A 4 -14.098 -14.921 -9.224 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -12.220 -16.629 -11.676 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -13.653 -17.086 -12.602 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -15.909 -15.519 -10.421 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -15.717 -16.466 -11.901 1.00 0.00 H new ATOM 83 N ILE A 5 -8.600 -11.557 -11.106 1.00 0.00 N ATOM 84 CA ILE A 5 -7.376 -11.031 -10.530 1.00 0.00 C ATOM 85 C ILE A 5 -7.622 -10.828 -9.052 1.00 0.00 C ATOM 86 O ILE A 5 -8.642 -10.252 -8.671 1.00 0.00 O ATOM 87 CB ILE A 5 -6.969 -9.704 -11.192 1.00 0.00 C ATOM 88 CG1 ILE A 5 -7.762 -8.541 -10.587 1.00 0.00 C ATOM 89 CG2 ILE A 5 -7.209 -9.794 -12.688 1.00 0.00 C ATOM 90 CD1 ILE A 5 -7.190 -7.180 -10.882 1.00 0.00 C ATOM 0 H ILE A 5 -9.386 -10.907 -11.074 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.558 -11.732 -10.696 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.910 -9.520 -11.011 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -8.785 -8.581 -10.961 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.812 -8.674 -9.506 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.921 -8.854 -13.160 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -6.613 -10.606 -13.104 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -8.265 -9.986 -12.876 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.812 -6.415 -10.417 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.178 -7.116 -10.483 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.166 -7.022 -11.960 1.00 0.00 H new ATOM 102 N THR A 6 -6.752 -11.343 -8.212 1.00 0.00 N ATOM 103 CA THR A 6 -6.979 -11.224 -6.787 1.00 0.00 C ATOM 104 C THR A 6 -5.753 -10.753 -6.001 1.00 0.00 C ATOM 105 O THR A 6 -4.674 -11.340 -6.101 1.00 0.00 O ATOM 106 CB THR A 6 -7.536 -12.557 -6.242 1.00 0.00 C ATOM 107 OG1 THR A 6 -6.928 -12.907 -5.014 1.00 0.00 O ATOM 108 CG2 THR A 6 -7.375 -13.745 -7.176 1.00 0.00 C ATOM 0 H THR A 6 -5.901 -11.837 -8.480 1.00 0.00 H new ATOM 0 HA THR A 6 -7.717 -10.435 -6.641 1.00 0.00 H new ATOM 0 HB THR A 6 -8.602 -12.360 -6.124 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.230 -13.577 -5.173 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.795 -14.635 -6.708 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.898 -13.546 -8.112 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.316 -13.907 -7.379 1.00 0.00 H new ATOM 116 N VAL A 7 -5.968 -9.752 -5.130 1.00 0.00 N ATOM 117 CA VAL A 7 -4.928 -9.268 -4.210 1.00 0.00 C ATOM 118 C VAL A 7 -5.225 -9.879 -2.843 1.00 0.00 C ATOM 119 O VAL A 7 -6.159 -9.439 -2.171 1.00 0.00 O ATOM 120 CB VAL A 7 -4.837 -7.693 -4.096 1.00 0.00 C ATOM 121 CG1 VAL A 7 -6.031 -6.999 -4.739 1.00 0.00 C ATOM 122 CG2 VAL A 7 -4.677 -7.206 -2.637 1.00 0.00 C ATOM 0 H VAL A 7 -6.858 -9.261 -5.045 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.958 -9.574 -4.603 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.936 -7.418 -4.645 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.923 -5.919 -4.635 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.077 -7.259 -5.796 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.948 -7.321 -4.246 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.620 -6.118 -2.621 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.534 -7.533 -2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.764 -7.624 -2.212 1.00 0.00 H new ATOM 132 N THR A 8 -4.484 -10.906 -2.427 1.00 0.00 N ATOM 133 CA THR A 8 -4.746 -11.527 -1.135 1.00 0.00 C ATOM 134 C THR A 8 -4.340 -10.580 -0.015 1.00 0.00 C ATOM 135 O THR A 8 -3.358 -10.799 0.693 1.00 0.00 O ATOM 136 CB THR A 8 -4.030 -12.864 -1.012 1.00 0.00 C ATOM 137 OG1 THR A 8 -2.703 -12.779 -1.488 1.00 0.00 O ATOM 138 CG2 THR A 8 -4.725 -13.970 -1.760 1.00 0.00 C ATOM 0 H THR A 8 -3.714 -11.317 -2.955 1.00 0.00 H new ATOM 0 HA THR A 8 -5.815 -11.725 -1.054 1.00 0.00 H new ATOM 0 HB THR A 8 -4.038 -13.101 0.052 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.266 -13.651 -1.396 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.169 -14.899 -1.636 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.734 -14.096 -1.368 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.776 -13.717 -2.819 1.00 0.00 H new ATOM 146 N VAL A 9 -5.107 -9.506 0.098 1.00 0.00 N ATOM 147 CA VAL A 9 -4.873 -8.460 1.083 1.00 0.00 C ATOM 148 C VAL A 9 -5.537 -8.801 2.441 1.00 0.00 C ATOM 149 O VAL A 9 -5.349 -9.920 2.916 1.00 0.00 O ATOM 150 CB VAL A 9 -5.338 -7.108 0.493 1.00 0.00 C ATOM 151 CG1 VAL A 9 -6.836 -7.118 0.222 1.00 0.00 C ATOM 152 CG2 VAL A 9 -4.915 -5.934 1.365 1.00 0.00 C ATOM 0 H VAL A 9 -5.917 -9.334 -0.497 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.808 -8.383 1.301 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.837 -6.973 -0.466 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.137 -6.156 -0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.072 -7.909 -0.490 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.373 -7.296 1.154 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.261 -5.003 0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.352 -6.042 2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.828 -5.915 1.447 1.00 0.00 H new ATOM 162 N ASP A 10 -6.229 -7.827 3.090 1.00 0.00 N ATOM 163 CA ASP A 10 -6.843 -8.000 4.439 1.00 0.00 C ATOM 164 C ASP A 10 -6.050 -7.198 5.470 1.00 0.00 C ATOM 165 O ASP A 10 -6.112 -7.438 6.676 1.00 0.00 O ATOM 166 CB ASP A 10 -6.799 -9.433 4.879 1.00 0.00 C ATOM 167 CG ASP A 10 -7.724 -9.752 6.041 1.00 0.00 C ATOM 168 OD1 ASP A 10 -8.954 -9.661 5.862 1.00 0.00 O ATOM 169 OD2 ASP A 10 -7.217 -10.102 7.125 1.00 0.00 O ATOM 0 H ASP A 10 -6.378 -6.899 2.694 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.877 -7.661 4.370 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.061 -10.070 4.034 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.777 -9.684 5.162 1.00 0.00 H new ATOM 174 N SER A 11 -5.317 -6.242 4.965 1.00 0.00 N ATOM 175 CA SER A 11 -4.498 -5.371 5.799 1.00 0.00 C ATOM 176 C SER A 11 -4.101 -4.066 5.111 1.00 0.00 C ATOM 177 O SER A 11 -4.165 -3.005 5.737 1.00 0.00 O ATOM 178 CB SER A 11 -3.237 -6.105 6.261 1.00 0.00 C ATOM 179 OG SER A 11 -2.684 -5.491 7.417 1.00 0.00 O ATOM 0 H SER A 11 -5.263 -6.037 3.967 1.00 0.00 H new ATOM 0 HA SER A 11 -5.118 -5.106 6.655 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.477 -7.146 6.478 1.00 0.00 H new ATOM 0 HB3 SER A 11 -2.499 -6.108 5.459 1.00 0.00 H new ATOM 0 HG SER A 11 -1.880 -5.979 7.694 1.00 0.00 H new ATOM 185 N ASP A 12 -3.649 -4.122 3.848 1.00 0.00 N ATOM 186 CA ASP A 12 -3.208 -2.902 3.187 1.00 0.00 C ATOM 187 C ASP A 12 -4.365 -2.048 2.666 1.00 0.00 C ATOM 188 O ASP A 12 -4.459 -1.773 1.478 1.00 0.00 O ATOM 189 CB ASP A 12 -2.216 -3.223 2.068 1.00 0.00 C ATOM 190 CG ASP A 12 -0.778 -3.161 2.532 1.00 0.00 C ATOM 191 OD1 ASP A 12 -0.389 -3.987 3.383 1.00 0.00 O ATOM 192 OD2 ASP A 12 -0.042 -2.284 2.037 1.00 0.00 O ATOM 0 H ASP A 12 -3.583 -4.971 3.287 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.704 -2.302 3.945 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.425 -4.218 1.676 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.360 -2.521 1.247 1.00 0.00 H new ATOM 197 N SER A 13 -5.225 -1.590 3.571 1.00 0.00 N ATOM 198 CA SER A 13 -6.343 -0.711 3.210 1.00 0.00 C ATOM 199 C SER A 13 -7.448 -1.358 2.365 1.00 0.00 C ATOM 200 O SER A 13 -8.479 -0.718 2.151 1.00 0.00 O ATOM 201 CB SER A 13 -5.807 0.514 2.474 1.00 0.00 C ATOM 202 OG SER A 13 -5.359 1.499 3.392 1.00 0.00 O ATOM 0 H SER A 13 -5.172 -1.812 4.565 1.00 0.00 H new ATOM 0 HA SER A 13 -6.816 -0.449 4.157 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.986 0.220 1.820 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.587 0.932 1.838 1.00 0.00 H new ATOM 0 HG SER A 13 -4.382 1.560 3.355 1.00 0.00 H new ATOM 208 N TYR A 14 -7.273 -2.596 1.878 1.00 0.00 N ATOM 209 CA TYR A 14 -8.328 -3.219 1.068 1.00 0.00 C ATOM 210 C TYR A 14 -9.678 -3.116 1.782 1.00 0.00 C ATOM 211 O TYR A 14 -10.645 -2.588 1.236 1.00 0.00 O ATOM 212 CB TYR A 14 -8.052 -4.685 0.768 1.00 0.00 C ATOM 213 CG TYR A 14 -9.328 -5.501 0.652 1.00 0.00 C ATOM 214 CD1 TYR A 14 -10.065 -5.552 -0.534 1.00 0.00 C ATOM 215 CD2 TYR A 14 -9.807 -6.199 1.747 1.00 0.00 C ATOM 216 CE1 TYR A 14 -11.234 -6.282 -0.610 1.00 0.00 C ATOM 217 CE2 TYR A 14 -10.970 -6.926 1.676 1.00 0.00 C ATOM 218 CZ TYR A 14 -11.683 -6.967 0.498 1.00 0.00 C ATOM 219 OH TYR A 14 -12.845 -7.699 0.429 1.00 0.00 O ATOM 0 H TYR A 14 -6.441 -3.168 2.024 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.348 -2.676 0.123 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.488 -4.763 -0.161 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.427 -5.103 1.557 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.715 -5.013 -1.402 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.256 -6.171 2.675 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.794 -6.316 -1.533 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -11.325 -7.465 2.542 1.00 0.00 H new ATOM 0 HH TYR A 14 -12.897 -8.304 1.198 1.00 0.00 H new ATOM 229 N GLN A 15 -9.740 -3.658 3.003 1.00 0.00 N ATOM 230 CA GLN A 15 -10.980 -3.652 3.776 1.00 0.00 C ATOM 231 C GLN A 15 -11.615 -2.252 3.830 1.00 0.00 C ATOM 232 O GLN A 15 -12.832 -2.126 3.760 1.00 0.00 O ATOM 233 CB GLN A 15 -10.734 -4.160 5.200 1.00 0.00 C ATOM 234 CG GLN A 15 -10.065 -5.525 5.280 1.00 0.00 C ATOM 235 CD GLN A 15 -10.301 -6.202 6.617 1.00 0.00 C ATOM 236 OE1 GLN A 15 -10.260 -5.560 7.665 1.00 0.00 O ATOM 237 NE2 GLN A 15 -10.548 -7.501 6.591 1.00 0.00 N ATOM 0 H GLN A 15 -8.951 -4.103 3.472 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.675 -4.321 3.268 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -10.115 -3.435 5.728 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -11.688 -4.206 5.725 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.445 -6.161 4.481 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.993 -5.413 5.116 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.573 -7.998 5.700 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -10.713 -8.006 7.462 1.00 0.00 H new ATOM 246 N LEU A 16 -10.791 -1.209 3.955 1.00 0.00 N ATOM 247 CA LEU A 16 -11.281 0.181 4.017 1.00 0.00 C ATOM 248 C LEU A 16 -12.242 0.523 2.861 1.00 0.00 C ATOM 249 O LEU A 16 -13.182 1.297 3.032 1.00 0.00 O ATOM 250 CB LEU A 16 -10.090 1.145 3.994 1.00 0.00 C ATOM 251 CG LEU A 16 -9.886 1.963 5.267 1.00 0.00 C ATOM 252 CD1 LEU A 16 -8.617 2.793 5.162 1.00 0.00 C ATOM 253 CD2 LEU A 16 -11.091 2.853 5.523 1.00 0.00 C ATOM 0 H LEU A 16 -9.777 -1.296 4.016 1.00 0.00 H new ATOM 0 HA LEU A 16 -11.841 0.286 4.946 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.183 0.571 3.802 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.216 1.832 3.157 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.781 1.279 6.109 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.484 3.371 6.076 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.761 2.133 5.022 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.695 3.471 4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.930 3.430 6.434 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.226 3.533 4.682 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.982 2.235 5.637 1.00 0.00 H new ATOM 265 N LEU A 17 -12.001 -0.081 1.703 1.00 0.00 N ATOM 266 CA LEU A 17 -12.858 0.141 0.527 1.00 0.00 C ATOM 267 C LEU A 17 -14.156 -0.646 0.632 1.00 0.00 C ATOM 268 O LEU A 17 -15.251 -0.094 0.502 1.00 0.00 O ATOM 269 CB LEU A 17 -12.146 -0.234 -0.757 1.00 0.00 C ATOM 270 CG LEU A 17 -11.914 0.919 -1.735 1.00 0.00 C ATOM 271 CD1 LEU A 17 -13.216 1.319 -2.407 1.00 0.00 C ATOM 272 CD2 LEU A 17 -11.298 2.114 -1.024 1.00 0.00 C ATOM 0 H LEU A 17 -11.226 -0.726 1.546 1.00 0.00 H new ATOM 0 HA LEU A 17 -13.089 1.206 0.503 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.181 -0.674 -0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.725 -1.007 -1.262 1.00 0.00 H new ATOM 0 HG LEU A 17 -11.218 0.578 -2.501 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -13.031 2.141 -3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -13.620 0.467 -2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -13.933 1.637 -1.650 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.142 2.922 -1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -11.969 2.453 -0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.341 1.825 -0.589 1.00 0.00 H new ATOM 284 N LYS A 18 -14.020 -1.944 0.877 1.00 0.00 N ATOM 285 CA LYS A 18 -15.169 -2.827 1.015 1.00 0.00 C ATOM 286 C LYS A 18 -15.968 -2.466 2.256 1.00 0.00 C ATOM 287 O LYS A 18 -17.171 -2.704 2.331 1.00 0.00 O ATOM 288 CB LYS A 18 -14.707 -4.279 1.066 1.00 0.00 C ATOM 289 CG LYS A 18 -13.615 -4.510 2.085 1.00 0.00 C ATOM 290 CD LYS A 18 -13.788 -5.851 2.784 1.00 0.00 C ATOM 291 CE LYS A 18 -13.726 -5.716 4.294 1.00 0.00 C ATOM 292 NZ LYS A 18 -14.976 -6.212 4.940 1.00 0.00 N ATOM 0 H LYS A 18 -13.119 -2.409 0.985 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.819 -2.703 0.149 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -15.558 -4.918 1.301 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.347 -4.576 0.081 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.643 -4.476 1.594 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.627 -3.708 2.823 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.745 -6.288 2.498 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.011 -6.538 2.449 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.872 -6.275 4.675 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.568 -4.671 4.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.900 -6.105 5.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.788 -5.661 4.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.113 -7.216 4.705 1.00 0.00 H new ATOM 306 N ALA A 19 -15.278 -1.863 3.215 1.00 0.00 N ATOM 307 CA ALA A 19 -15.893 -1.425 4.456 1.00 0.00 C ATOM 308 C ALA A 19 -17.050 -0.469 4.169 1.00 0.00 C ATOM 309 O ALA A 19 -18.010 -0.390 4.936 1.00 0.00 O ATOM 310 CB ALA A 19 -14.863 -0.765 5.362 1.00 0.00 C ATOM 0 H ALA A 19 -14.279 -1.665 3.153 1.00 0.00 H new ATOM 0 HA ALA A 19 -16.289 -2.300 4.972 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -15.344 -0.444 6.286 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.072 -1.478 5.593 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.435 0.100 4.856 1.00 0.00 H new ATOM 316 N TYR A 20 -16.953 0.242 3.042 1.00 0.00 N ATOM 317 CA TYR A 20 -17.991 1.172 2.628 1.00 0.00 C ATOM 318 C TYR A 20 -19.041 0.441 1.794 1.00 0.00 C ATOM 319 O TYR A 20 -20.229 0.706 1.952 1.00 0.00 O ATOM 320 CB TYR A 20 -17.403 2.327 1.804 1.00 0.00 C ATOM 321 CG TYR A 20 -16.283 3.095 2.475 1.00 0.00 C ATOM 322 CD1 TYR A 20 -15.961 2.900 3.813 1.00 0.00 C ATOM 323 CD2 TYR A 20 -15.543 4.024 1.756 1.00 0.00 C ATOM 324 CE1 TYR A 20 -14.936 3.609 4.411 1.00 0.00 C ATOM 325 CE2 TYR A 20 -14.521 4.733 2.345 1.00 0.00 C ATOM 326 CZ TYR A 20 -14.218 4.524 3.674 1.00 0.00 C ATOM 327 OH TYR A 20 -13.196 5.227 4.273 1.00 0.00 O ATOM 0 H TYR A 20 -16.161 0.186 2.402 1.00 0.00 H new ATOM 0 HA TYR A 20 -18.452 1.584 3.526 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -17.033 1.927 0.860 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -18.205 3.024 1.562 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -16.521 2.183 4.395 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -15.774 4.194 0.715 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -14.699 3.446 5.452 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -13.958 5.451 1.768 1.00 0.00 H new ATOM 0 HH TYR A 20 -13.075 6.084 3.813 1.00 0.00 H new ATOM 337 N ASP A 21 -18.553 -0.463 0.910 1.00 0.00 N ATOM 338 CA ASP A 21 -19.370 -1.287 -0.009 1.00 0.00 C ATOM 339 C ASP A 21 -18.969 -0.992 -1.449 1.00 0.00 C ATOM 340 O ASP A 21 -19.774 -0.550 -2.275 1.00 0.00 O ATOM 341 CB ASP A 21 -20.872 -1.087 0.170 1.00 0.00 C ATOM 342 CG ASP A 21 -21.475 -2.067 1.154 1.00 0.00 C ATOM 343 OD1 ASP A 21 -21.150 -1.986 2.357 1.00 0.00 O ATOM 344 OD2 ASP A 21 -22.267 -2.924 0.718 1.00 0.00 O ATOM 0 H ASP A 21 -17.553 -0.643 0.815 1.00 0.00 H new ATOM 0 HA ASP A 21 -19.170 -2.330 0.236 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -21.061 -0.070 0.513 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -21.367 -1.195 -0.795 1.00 0.00 H new ATOM 349 N VAL A 22 -17.695 -1.219 -1.719 1.00 0.00 N ATOM 350 CA VAL A 22 -17.108 -0.970 -3.030 1.00 0.00 C ATOM 351 C VAL A 22 -16.113 -2.032 -3.385 1.00 0.00 C ATOM 352 O VAL A 22 -16.125 -2.564 -4.501 1.00 0.00 O ATOM 353 CB VAL A 22 -16.419 0.413 -3.065 1.00 0.00 C ATOM 354 CG1 VAL A 22 -15.922 0.741 -4.464 1.00 0.00 C ATOM 355 CG2 VAL A 22 -17.352 1.504 -2.561 1.00 0.00 C ATOM 0 H VAL A 22 -17.033 -1.583 -1.034 1.00 0.00 H new ATOM 0 HA VAL A 22 -17.916 -0.987 -3.761 1.00 0.00 H new ATOM 0 HB VAL A 22 -15.557 0.368 -2.399 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.442 1.719 -4.459 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -15.203 -0.015 -4.781 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -16.764 0.754 -5.156 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -16.840 2.466 -2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -18.241 1.542 -3.191 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -17.644 1.287 -1.534 1.00 0.00 H new ATOM 365 N ASN A 23 -15.232 -2.323 -2.455 1.00 0.00 N ATOM 366 CA ASN A 23 -14.210 -3.294 -2.689 1.00 0.00 C ATOM 367 C ASN A 23 -13.267 -2.728 -3.746 1.00 0.00 C ATOM 368 O ASN A 23 -12.602 -1.722 -3.499 1.00 0.00 O ATOM 369 CB ASN A 23 -14.817 -4.650 -3.097 1.00 0.00 C ATOM 370 CG ASN A 23 -15.892 -5.123 -2.137 1.00 0.00 C ATOM 371 OD1 ASN A 23 -15.608 -5.801 -1.155 1.00 0.00 O ATOM 372 ND2 ASN A 23 -17.138 -4.767 -2.417 1.00 0.00 N ATOM 0 H ASN A 23 -15.210 -1.895 -1.530 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.646 -3.490 -1.777 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -15.240 -4.567 -4.098 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -14.025 -5.398 -3.146 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -17.901 -5.058 -1.806 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -17.334 -4.202 -3.244 1.00 0.00 H new ATOM 379 N ILE A 24 -13.222 -3.333 -4.922 1.00 0.00 N ATOM 380 CA ILE A 24 -12.357 -2.808 -5.972 1.00 0.00 C ATOM 381 C ILE A 24 -12.932 -2.907 -7.374 1.00 0.00 C ATOM 382 O ILE A 24 -12.252 -2.505 -8.316 1.00 0.00 O ATOM 383 CB ILE A 24 -10.950 -3.433 -5.994 1.00 0.00 C ATOM 384 CG1 ILE A 24 -10.834 -4.568 -4.998 1.00 0.00 C ATOM 385 CG2 ILE A 24 -9.907 -2.371 -5.713 1.00 0.00 C ATOM 386 CD1 ILE A 24 -11.860 -5.636 -5.237 1.00 0.00 C ATOM 0 H ILE A 24 -13.757 -4.165 -5.172 1.00 0.00 H new ATOM 0 HA ILE A 24 -12.284 -1.756 -5.697 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.778 -3.847 -6.987 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.837 -5.004 -5.060 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.948 -4.176 -3.987 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.915 -2.822 -5.730 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.966 -1.593 -6.474 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.089 -1.933 -4.732 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -11.738 -6.429 -4.499 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.858 -5.208 -5.148 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.730 -6.048 -6.238 1.00 0.00 H new ATOM 398 N SER A 25 -14.135 -3.472 -7.542 1.00 0.00 N ATOM 399 CA SER A 25 -14.684 -3.622 -8.886 1.00 0.00 C ATOM 400 C SER A 25 -14.373 -2.382 -9.734 1.00 0.00 C ATOM 401 O SER A 25 -13.594 -2.451 -10.703 1.00 0.00 O ATOM 402 CB SER A 25 -16.198 -3.854 -8.821 1.00 0.00 C ATOM 403 OG SER A 25 -16.848 -2.799 -8.123 1.00 0.00 O ATOM 0 H SER A 25 -14.727 -3.821 -6.788 1.00 0.00 H new ATOM 0 HA SER A 25 -14.218 -4.489 -9.354 1.00 0.00 H new ATOM 0 HB2 SER A 25 -16.601 -3.929 -9.831 1.00 0.00 H new ATOM 0 HB3 SER A 25 -16.403 -4.803 -8.325 1.00 0.00 H new ATOM 0 HG SER A 25 -17.813 -2.970 -8.097 1.00 0.00 H new ATOM 409 N GLY A 26 -14.937 -1.241 -9.339 1.00 0.00 N ATOM 410 CA GLY A 26 -14.681 -0.001 -10.050 1.00 0.00 C ATOM 411 C GLY A 26 -13.342 0.611 -9.683 1.00 0.00 C ATOM 412 O GLY A 26 -12.729 1.291 -10.503 1.00 0.00 O ATOM 0 H GLY A 26 -15.566 -1.155 -8.540 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.710 -0.188 -11.123 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.476 0.712 -9.830 1.00 0.00 H new ATOM 416 N LEU A 27 -12.885 0.361 -8.451 1.00 0.00 N ATOM 417 CA LEU A 27 -11.614 0.886 -7.976 1.00 0.00 C ATOM 418 C LEU A 27 -10.445 0.359 -8.791 1.00 0.00 C ATOM 419 O LEU A 27 -9.689 1.143 -9.360 1.00 0.00 O ATOM 420 CB LEU A 27 -11.401 0.520 -6.515 1.00 0.00 C ATOM 421 CG LEU A 27 -10.299 1.306 -5.820 1.00 0.00 C ATOM 422 CD1 LEU A 27 -10.737 2.745 -5.623 1.00 0.00 C ATOM 423 CD2 LEU A 27 -9.948 0.651 -4.497 1.00 0.00 C ATOM 0 H LEU A 27 -13.385 -0.206 -7.766 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.655 1.970 -8.087 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.335 0.674 -5.975 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.168 -0.543 -6.450 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.405 1.306 -6.443 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.943 3.302 -5.125 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.945 3.198 -6.592 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.638 2.770 -5.010 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.158 1.221 -4.007 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.830 0.629 -3.857 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.603 -0.368 -4.675 1.00 0.00 H new ATOM 435 N VAL A 28 -10.287 -0.968 -8.834 1.00 0.00 N ATOM 436 CA VAL A 28 -9.192 -1.569 -9.579 1.00 0.00 C ATOM 437 C VAL A 28 -9.168 -1.039 -11.009 1.00 0.00 C ATOM 438 O VAL A 28 -8.296 -0.263 -11.352 1.00 0.00 O ATOM 439 CB VAL A 28 -9.271 -3.108 -9.551 1.00 0.00 C ATOM 440 CG1 VAL A 28 -8.521 -3.728 -10.722 1.00 0.00 C ATOM 441 CG2 VAL A 28 -8.711 -3.610 -8.234 1.00 0.00 C ATOM 0 H VAL A 28 -10.900 -1.635 -8.365 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.257 -1.287 -9.096 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.315 -3.406 -9.644 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.598 -4.814 -10.670 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.955 -3.378 -11.659 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.472 -3.436 -10.677 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.764 -4.698 -8.207 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.672 -3.295 -8.137 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.294 -3.198 -7.410 1.00 0.00 H new ATOM 451 N SER A 29 -10.130 -1.442 -11.828 1.00 0.00 N ATOM 452 CA SER A 29 -10.208 -0.999 -13.216 1.00 0.00 C ATOM 453 C SER A 29 -10.037 0.521 -13.371 1.00 0.00 C ATOM 454 O SER A 29 -9.355 0.965 -14.297 1.00 0.00 O ATOM 455 CB SER A 29 -11.559 -1.417 -13.785 1.00 0.00 C ATOM 456 OG SER A 29 -12.632 -0.784 -13.109 1.00 0.00 O ATOM 0 H SER A 29 -10.875 -2.082 -11.552 1.00 0.00 H new ATOM 0 HA SER A 29 -9.387 -1.467 -13.759 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.600 -1.168 -14.845 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.668 -2.499 -13.707 1.00 0.00 H new ATOM 0 HG SER A 29 -13.464 -0.933 -13.604 1.00 0.00 H new ATOM 462 N THR A 30 -10.608 1.320 -12.464 1.00 0.00 N ATOM 463 CA THR A 30 -10.446 2.771 -12.541 1.00 0.00 C ATOM 464 C THR A 30 -9.010 3.119 -12.209 1.00 0.00 C ATOM 465 O THR A 30 -8.352 3.877 -12.922 1.00 0.00 O ATOM 466 CB THR A 30 -11.393 3.492 -11.575 1.00 0.00 C ATOM 467 OG1 THR A 30 -12.663 3.676 -12.166 1.00 0.00 O ATOM 468 CG2 THR A 30 -10.898 4.854 -11.137 1.00 0.00 C ATOM 0 H THR A 30 -11.176 0.993 -11.683 1.00 0.00 H new ATOM 0 HA THR A 30 -10.692 3.098 -13.551 1.00 0.00 H new ATOM 0 HB THR A 30 -11.446 2.846 -10.699 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.255 2.941 -11.904 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.621 5.302 -10.455 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.939 4.747 -10.630 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.777 5.495 -12.010 1.00 0.00 H new ATOM 476 N THR A 31 -8.527 2.539 -11.118 1.00 0.00 N ATOM 477 CA THR A 31 -7.165 2.768 -10.684 1.00 0.00 C ATOM 478 C THR A 31 -6.177 2.208 -11.696 1.00 0.00 C ATOM 479 O THR A 31 -5.082 2.744 -11.880 1.00 0.00 O ATOM 480 CB THR A 31 -6.896 2.136 -9.321 1.00 0.00 C ATOM 481 OG1 THR A 31 -7.877 2.522 -8.382 1.00 0.00 O ATOM 482 CG2 THR A 31 -5.549 2.518 -8.761 1.00 0.00 C ATOM 0 H THR A 31 -9.062 1.908 -10.521 1.00 0.00 H new ATOM 0 HA THR A 31 -7.033 3.847 -10.601 1.00 0.00 H new ATOM 0 HB THR A 31 -6.921 1.059 -9.485 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.731 2.098 -8.608 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.410 2.041 -7.791 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.765 2.189 -9.443 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.497 3.600 -8.644 1.00 0.00 H new ATOM 490 N MET A 32 -6.581 1.125 -12.351 1.00 0.00 N ATOM 491 CA MET A 32 -5.762 0.470 -13.342 1.00 0.00 C ATOM 492 C MET A 32 -5.421 1.416 -14.474 1.00 0.00 C ATOM 493 O MET A 32 -4.263 1.647 -14.736 1.00 0.00 O ATOM 494 CB MET A 32 -6.473 -0.778 -13.873 1.00 0.00 C ATOM 495 CG MET A 32 -6.500 -1.914 -12.867 1.00 0.00 C ATOM 496 SD MET A 32 -4.866 -2.286 -12.228 1.00 0.00 S ATOM 497 CE MET A 32 -5.152 -3.881 -11.489 1.00 0.00 C ATOM 0 H MET A 32 -7.488 0.683 -12.203 1.00 0.00 H new ATOM 0 HA MET A 32 -4.828 0.165 -12.870 1.00 0.00 H new ATOM 0 HB2 MET A 32 -7.495 -0.518 -14.148 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.974 -1.115 -14.782 1.00 0.00 H new ATOM 0 HG2 MET A 32 -7.161 -1.651 -12.041 1.00 0.00 H new ATOM 0 HG3 MET A 32 -6.917 -2.805 -13.337 1.00 0.00 H new ATOM 0 HE1 MET A 32 -4.219 -4.444 -11.466 1.00 0.00 H new ATOM 0 HE2 MET A 32 -5.522 -3.750 -10.472 1.00 0.00 H new ATOM 0 HE3 MET A 32 -5.890 -4.427 -12.076 1.00 0.00 H new ATOM 507 N GLN A 33 -6.427 1.974 -15.135 1.00 0.00 N ATOM 508 CA GLN A 33 -6.184 2.908 -16.237 1.00 0.00 C ATOM 509 C GLN A 33 -5.300 4.075 -15.799 1.00 0.00 C ATOM 510 O GLN A 33 -4.469 4.555 -16.574 1.00 0.00 O ATOM 511 CB GLN A 33 -7.511 3.426 -16.781 1.00 0.00 C ATOM 512 CG GLN A 33 -7.365 4.377 -17.964 1.00 0.00 C ATOM 513 CD GLN A 33 -8.336 5.544 -17.915 1.00 0.00 C ATOM 514 OE1 GLN A 33 -7.944 6.697 -18.072 1.00 0.00 O ATOM 515 NE2 GLN A 33 -9.611 5.252 -17.700 1.00 0.00 N ATOM 0 H GLN A 33 -7.412 1.801 -14.933 1.00 0.00 H new ATOM 0 HA GLN A 33 -5.656 2.370 -17.024 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.125 2.577 -17.083 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.046 3.937 -15.981 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.345 4.762 -17.989 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.520 3.822 -18.889 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.898 4.281 -17.574 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.305 5.998 -17.660 1.00 0.00 H new ATOM 524 N ASN A 34 -5.459 4.513 -14.552 1.00 0.00 N ATOM 525 CA ASN A 34 -4.649 5.608 -14.024 1.00 0.00 C ATOM 526 C ASN A 34 -3.233 5.120 -13.724 1.00 0.00 C ATOM 527 O ASN A 34 -2.258 5.723 -14.178 1.00 0.00 O ATOM 528 CB ASN A 34 -5.318 6.225 -12.778 1.00 0.00 C ATOM 529 CG ASN A 34 -4.433 6.224 -11.543 1.00 0.00 C ATOM 530 OD1 ASN A 34 -3.391 6.871 -11.513 1.00 0.00 O ATOM 531 ND2 ASN A 34 -4.848 5.506 -10.512 1.00 0.00 N ATOM 0 H ASN A 34 -6.136 4.130 -13.893 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.577 6.393 -14.777 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.609 7.251 -13.004 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.233 5.675 -12.558 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.296 5.478 -9.655 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.720 4.981 -10.574 1.00 0.00 H new ATOM 538 N GLU A 35 -3.124 4.002 -13.010 1.00 0.00 N ATOM 539 CA GLU A 35 -1.820 3.426 -12.712 1.00 0.00 C ATOM 540 C GLU A 35 -1.225 2.807 -13.980 1.00 0.00 C ATOM 541 O GLU A 35 -0.017 2.653 -14.101 1.00 0.00 O ATOM 542 CB GLU A 35 -1.929 2.386 -11.594 1.00 0.00 C ATOM 543 CG GLU A 35 -0.707 2.345 -10.689 1.00 0.00 C ATOM 544 CD GLU A 35 -0.425 3.674 -10.024 1.00 0.00 C ATOM 545 OE1 GLU A 35 -1.052 3.956 -8.983 1.00 0.00 O ATOM 546 OE2 GLU A 35 0.420 4.432 -10.545 1.00 0.00 O ATOM 0 H GLU A 35 -3.916 3.483 -12.631 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.155 4.217 -12.364 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.812 2.601 -10.992 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.078 1.401 -12.037 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.854 1.584 -9.922 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.163 2.045 -11.274 1.00 0.00 H new ATOM 553 N ALA A 36 -2.092 2.489 -14.939 1.00 0.00 N ATOM 554 CA ALA A 36 -1.687 1.926 -16.220 1.00 0.00 C ATOM 555 C ALA A 36 -0.977 2.985 -17.040 1.00 0.00 C ATOM 556 O ALA A 36 0.078 2.737 -17.630 1.00 0.00 O ATOM 557 CB ALA A 36 -2.909 1.420 -16.971 1.00 0.00 C ATOM 0 H ALA A 36 -3.100 2.616 -14.846 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.007 1.092 -16.048 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.600 1.000 -17.928 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.406 0.650 -16.381 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.598 2.247 -17.143 1.00 0.00 H new ATOM 563 N ARG A 37 -1.563 4.177 -17.065 1.00 0.00 N ATOM 564 CA ARG A 37 -0.980 5.286 -17.797 1.00 0.00 C ATOM 565 C ARG A 37 0.122 5.938 -16.998 1.00 0.00 C ATOM 566 O ARG A 37 1.239 6.122 -17.480 1.00 0.00 O ATOM 567 CB ARG A 37 -2.017 6.352 -18.074 1.00 0.00 C ATOM 568 CG ARG A 37 -2.466 6.406 -19.520 1.00 0.00 C ATOM 569 CD ARG A 37 -3.635 7.353 -19.692 1.00 0.00 C ATOM 570 NE ARG A 37 -3.429 8.263 -20.821 1.00 0.00 N ATOM 571 CZ ARG A 37 -3.884 9.507 -20.874 1.00 0.00 C ATOM 572 NH1 ARG A 37 -4.612 10.001 -19.891 1.00 0.00 N ATOM 573 NH2 ARG A 37 -3.617 10.256 -21.924 1.00 0.00 N ATOM 0 H ARG A 37 -2.438 4.396 -16.588 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.589 4.878 -18.729 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.886 6.174 -17.440 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.610 7.323 -17.793 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.637 6.728 -20.150 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.750 5.408 -19.853 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.549 6.780 -19.848 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.773 7.931 -18.778 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.900 7.916 -21.621 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.831 9.424 -19.079 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -4.956 10.960 -19.943 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.062 9.878 -22.692 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.965 11.214 -21.969 1.00 0.00 H new ATOM 587 N ARG A 38 -0.231 6.341 -15.787 1.00 0.00 N ATOM 588 CA ARG A 38 0.695 7.042 -14.926 1.00 0.00 C ATOM 589 C ARG A 38 1.750 6.128 -14.275 1.00 0.00 C ATOM 590 O ARG A 38 2.887 6.557 -14.088 1.00 0.00 O ATOM 591 CB ARG A 38 -0.072 7.806 -13.840 1.00 0.00 C ATOM 592 CG ARG A 38 0.244 9.295 -13.800 1.00 0.00 C ATOM 593 CD ARG A 38 1.302 9.614 -12.756 1.00 0.00 C ATOM 594 NE ARG A 38 1.520 11.058 -12.622 1.00 0.00 N ATOM 595 CZ ARG A 38 2.264 11.619 -11.674 1.00 0.00 C ATOM 596 NH1 ARG A 38 2.882 10.876 -10.775 1.00 0.00 N ATOM 597 NH2 ARG A 38 2.394 12.931 -11.631 1.00 0.00 N ATOM 0 H ARG A 38 -1.155 6.192 -15.382 1.00 0.00 H new ATOM 0 HA ARG A 38 1.240 7.736 -15.566 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.142 7.675 -14.003 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.159 7.368 -12.869 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.590 9.621 -14.781 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.665 9.855 -13.581 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.998 9.202 -11.794 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.239 9.129 -13.029 1.00 0.00 H new ATOM 0 HE ARG A 38 1.071 11.673 -13.301 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.791 9.860 -10.803 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.450 11.317 -10.052 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.924 13.513 -12.324 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.964 13.363 -10.904 1.00 0.00 H new ATOM 1184 N LYS B 102 -4.568 -14.394 4.751 1.00 0.00 N ATOM 1185 CA LYS B 102 -4.792 -13.188 3.953 1.00 0.00 C ATOM 1186 C LYS B 102 -6.188 -13.201 3.321 1.00 0.00 C ATOM 1187 O LYS B 102 -6.818 -14.255 3.206 1.00 0.00 O ATOM 1188 CB LYS B 102 -3.717 -13.071 2.866 1.00 0.00 C ATOM 1189 CG LYS B 102 -2.607 -12.088 3.208 1.00 0.00 C ATOM 1190 CD LYS B 102 -1.668 -12.643 4.271 1.00 0.00 C ATOM 1191 CE LYS B 102 -0.690 -11.588 4.758 1.00 0.00 C ATOM 1192 NZ LYS B 102 0.520 -12.196 5.385 1.00 0.00 N ATOM 0 HA LYS B 102 -4.727 -12.322 4.612 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -3.279 -14.054 2.693 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -4.188 -12.763 1.933 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -2.039 -11.854 2.308 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -3.044 -11.154 3.561 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -2.251 -13.016 5.113 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -1.117 -13.491 3.864 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -0.388 -10.960 3.920 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -1.186 -10.940 5.480 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 1.162 -11.442 5.704 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 0.235 -12.775 6.200 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 1.008 -12.795 4.689 1.00 0.00 H new ATOM 1206 N GLN B 103 -6.666 -12.024 2.911 1.00 0.00 N ATOM 1207 CA GLN B 103 -7.981 -11.896 2.294 1.00 0.00 C ATOM 1208 C GLN B 103 -7.871 -11.881 0.782 1.00 0.00 C ATOM 1209 O GLN B 103 -7.390 -10.918 0.187 1.00 0.00 O ATOM 1210 CB GLN B 103 -8.700 -10.623 2.782 1.00 0.00 C ATOM 1211 CG GLN B 103 -10.030 -10.369 2.094 1.00 0.00 C ATOM 1212 CD GLN B 103 -11.077 -9.782 3.024 1.00 0.00 C ATOM 1213 OE1 GLN B 103 -10.783 -8.932 3.863 1.00 0.00 O ATOM 1214 NE2 GLN B 103 -12.316 -10.216 2.868 1.00 0.00 N ATOM 0 H GLN B 103 -6.157 -11.144 2.997 1.00 0.00 H new ATOM 0 HA GLN B 103 -8.570 -12.763 2.593 1.00 0.00 H new ATOM 0 HB2 GLN B 103 -8.866 -10.700 3.857 1.00 0.00 H new ATOM 0 HB3 GLN B 103 -8.048 -9.764 2.621 1.00 0.00 H new ATOM 0 HG2 GLN B 103 -9.875 -9.690 1.256 1.00 0.00 H new ATOM 0 HG3 GLN B 103 -10.404 -11.306 1.681 1.00 0.00 H new ATOM 0 HE21 GLN B 103 -12.524 -10.922 2.162 1.00 0.00 H new ATOM 0 HE22 GLN B 103 -13.064 -9.845 3.454 1.00 0.00 H new ATOM 1223 N ARG B 104 -8.311 -12.960 0.160 1.00 0.00 N ATOM 1224 CA ARG B 104 -8.242 -13.052 -1.283 1.00 0.00 C ATOM 1225 C ARG B 104 -9.365 -12.251 -1.912 1.00 0.00 C ATOM 1226 O ARG B 104 -10.497 -12.722 -2.040 1.00 0.00 O ATOM 1227 CB ARG B 104 -8.322 -14.507 -1.750 1.00 0.00 C ATOM 1228 CG ARG B 104 -7.899 -14.689 -3.200 1.00 0.00 C ATOM 1229 CD ARG B 104 -8.391 -16.006 -3.770 1.00 0.00 C ATOM 1230 NE ARG B 104 -9.420 -15.794 -4.795 1.00 0.00 N ATOM 1231 CZ ARG B 104 -9.314 -16.153 -6.076 1.00 0.00 C ATOM 1232 NH1 ARG B 104 -8.219 -16.720 -6.533 1.00 0.00 N ATOM 1233 NH2 ARG B 104 -10.304 -15.916 -6.913 1.00 0.00 N ATOM 0 H ARG B 104 -8.714 -13.773 0.625 1.00 0.00 H new ATOM 0 HA ARG B 104 -7.283 -12.642 -1.599 1.00 0.00 H new ATOM 0 HB2 ARG B 104 -7.688 -15.123 -1.112 1.00 0.00 H new ATOM 0 HB3 ARG B 104 -9.344 -14.867 -1.627 1.00 0.00 H new ATOM 0 HG2 ARG B 104 -8.289 -13.866 -3.798 1.00 0.00 H new ATOM 0 HG3 ARG B 104 -6.812 -14.646 -3.270 1.00 0.00 H new ATOM 0 HD2 ARG B 104 -7.553 -16.553 -4.201 1.00 0.00 H new ATOM 0 HD3 ARG B 104 -8.796 -16.623 -2.968 1.00 0.00 H new ATOM 0 HE ARG B 104 -10.284 -15.336 -4.505 1.00 0.00 H new ATOM 0 HH11 ARG B 104 -7.434 -16.892 -5.905 1.00 0.00 H new ATOM 0 HH12 ARG B 104 -8.155 -16.988 -7.515 1.00 0.00 H new ATOM 0 HH21 ARG B 104 -11.153 -15.457 -6.582 1.00 0.00 H new ATOM 0 HH22 ARG B 104 -10.221 -16.191 -7.892 1.00 0.00 H new ATOM 1247 N ILE B 105 -9.024 -11.046 -2.346 1.00 0.00 N ATOM 1248 CA ILE B 105 -9.976 -10.177 -3.011 1.00 0.00 C ATOM 1249 C ILE B 105 -9.721 -10.281 -4.494 1.00 0.00 C ATOM 1250 O ILE B 105 -8.577 -10.177 -4.931 1.00 0.00 O ATOM 1251 CB ILE B 105 -9.862 -8.713 -2.534 1.00 0.00 C ATOM 1252 CG1 ILE B 105 -8.745 -7.978 -3.272 1.00 0.00 C ATOM 1253 CG2 ILE B 105 -9.614 -8.682 -1.032 1.00 0.00 C ATOM 1254 CD1 ILE B 105 -8.777 -6.480 -3.082 1.00 0.00 C ATOM 0 H ILE B 105 -8.090 -10.649 -2.247 1.00 0.00 H new ATOM 0 HA ILE B 105 -10.990 -10.493 -2.768 1.00 0.00 H new ATOM 0 HB ILE B 105 -10.799 -8.203 -2.756 1.00 0.00 H new ATOM 0 HG12 ILE B 105 -7.783 -8.359 -2.929 1.00 0.00 H new ATOM 0 HG13 ILE B 105 -8.816 -8.202 -4.336 1.00 0.00 H new ATOM 0 HG21 ILE B 105 -9.534 -7.648 -0.698 1.00 0.00 H new ATOM 0 HG22 ILE B 105 -10.443 -9.167 -0.516 1.00 0.00 H new ATOM 0 HG23 ILE B 105 -8.687 -9.209 -0.805 1.00 0.00 H new ATOM 0 HD11 ILE B 105 -7.955 -6.025 -3.635 1.00 0.00 H new ATOM 0 HD12 ILE B 105 -9.724 -6.087 -3.451 1.00 0.00 H new ATOM 0 HD13 ILE B 105 -8.675 -6.245 -2.022 1.00 0.00 H new ATOM 1266 N THR B 106 -10.749 -10.575 -5.266 1.00 0.00 N ATOM 1267 CA THR B 106 -10.543 -10.781 -6.691 1.00 0.00 C ATOM 1268 C THR B 106 -11.532 -10.013 -7.575 1.00 0.00 C ATOM 1269 O THR B 106 -12.738 -10.237 -7.503 1.00 0.00 O ATOM 1270 CB THR B 106 -10.576 -12.304 -6.977 1.00 0.00 C ATOM 1271 OG1 THR B 106 -11.676 -12.673 -7.782 1.00 0.00 O ATOM 1272 CG2 THR B 106 -10.644 -13.168 -5.726 1.00 0.00 C ATOM 0 H THR B 106 -11.712 -10.675 -4.945 1.00 0.00 H new ATOM 0 HA THR B 106 -9.568 -10.371 -6.955 1.00 0.00 H new ATOM 0 HB THR B 106 -9.632 -12.485 -7.491 1.00 0.00 H new ATOM 0 HG1 THR B 106 -12.407 -12.034 -7.649 1.00 0.00 H new ATOM 0 HG21 THR B 106 -10.664 -14.220 -6.011 1.00 0.00 H new ATOM 0 HG22 THR B 106 -9.770 -12.977 -5.104 1.00 0.00 H new ATOM 0 HG23 THR B 106 -11.547 -12.927 -5.166 1.00 0.00 H new ATOM 1280 N VAL B 107 -11.006 -9.165 -8.481 1.00 0.00 N ATOM 1281 CA VAL B 107 -11.844 -8.446 -9.450 1.00 0.00 C ATOM 1282 C VAL B 107 -11.751 -9.159 -10.791 1.00 0.00 C ATOM 1283 O VAL B 107 -10.726 -9.071 -11.465 1.00 0.00 O ATOM 1284 CB VAL B 107 -11.467 -6.930 -9.657 1.00 0.00 C ATOM 1285 CG1 VAL B 107 -10.004 -6.667 -9.371 1.00 0.00 C ATOM 1286 CG2 VAL B 107 -11.812 -6.448 -11.081 1.00 0.00 C ATOM 0 H VAL B 107 -10.009 -8.965 -8.559 1.00 0.00 H new ATOM 0 HA VAL B 107 -12.854 -8.451 -9.040 1.00 0.00 H new ATOM 0 HB VAL B 107 -12.065 -6.365 -8.941 1.00 0.00 H new ATOM 0 HG11 VAL B 107 -9.787 -5.610 -9.526 1.00 0.00 H new ATOM 0 HG12 VAL B 107 -9.781 -6.936 -8.338 1.00 0.00 H new ATOM 0 HG13 VAL B 107 -9.389 -7.266 -10.042 1.00 0.00 H new ATOM 0 HG21 VAL B 107 -11.538 -5.398 -11.186 1.00 0.00 H new ATOM 0 HG22 VAL B 107 -11.260 -7.042 -11.810 1.00 0.00 H new ATOM 0 HG23 VAL B 107 -12.882 -6.563 -11.255 1.00 0.00 H new ATOM 1296 N THR B 108 -12.799 -9.863 -11.188 1.00 0.00 N ATOM 1297 CA THR B 108 -12.789 -10.557 -12.462 1.00 0.00 C ATOM 1298 C THR B 108 -12.841 -9.536 -13.599 1.00 0.00 C ATOM 1299 O THR B 108 -13.905 -9.012 -13.927 1.00 0.00 O ATOM 1300 CB THR B 108 -13.958 -11.521 -12.544 1.00 0.00 C ATOM 1301 OG1 THR B 108 -15.194 -10.849 -12.390 1.00 0.00 O ATOM 1302 CG2 THR B 108 -13.890 -12.626 -11.530 1.00 0.00 C ATOM 0 H THR B 108 -13.660 -9.968 -10.651 1.00 0.00 H new ATOM 0 HA THR B 108 -11.870 -11.136 -12.553 1.00 0.00 H new ATOM 0 HB THR B 108 -13.890 -11.964 -13.537 1.00 0.00 H new ATOM 0 HG1 THR B 108 -15.157 -9.986 -12.852 1.00 0.00 H new ATOM 0 HG21 THR B 108 -14.756 -13.278 -11.644 1.00 0.00 H new ATOM 0 HG22 THR B 108 -12.978 -13.203 -11.682 1.00 0.00 H new ATOM 0 HG23 THR B 108 -13.887 -12.200 -10.527 1.00 0.00 H new ATOM 1310 N VAL B 109 -11.676 -9.240 -14.165 1.00 0.00 N ATOM 1311 CA VAL B 109 -11.560 -8.254 -15.238 1.00 0.00 C ATOM 1312 C VAL B 109 -11.358 -8.923 -16.613 1.00 0.00 C ATOM 1313 O VAL B 109 -12.225 -9.694 -17.017 1.00 0.00 O ATOM 1314 CB VAL B 109 -10.456 -7.210 -14.920 1.00 0.00 C ATOM 1315 CG1 VAL B 109 -11.069 -5.958 -14.315 1.00 0.00 C ATOM 1316 CG2 VAL B 109 -9.414 -7.790 -13.977 1.00 0.00 C ATOM 0 H VAL B 109 -10.791 -9.671 -13.897 1.00 0.00 H new ATOM 0 HA VAL B 109 -12.505 -7.714 -15.297 1.00 0.00 H new ATOM 0 HB VAL B 109 -9.963 -6.945 -15.855 1.00 0.00 H new ATOM 0 HG11 VAL B 109 -10.282 -5.236 -14.098 1.00 0.00 H new ATOM 0 HG12 VAL B 109 -11.777 -5.522 -15.020 1.00 0.00 H new ATOM 0 HG13 VAL B 109 -11.589 -6.217 -13.392 1.00 0.00 H new ATOM 0 HG21 VAL B 109 -8.652 -7.039 -13.770 1.00 0.00 H new ATOM 0 HG22 VAL B 109 -9.893 -8.087 -13.044 1.00 0.00 H new ATOM 0 HG23 VAL B 109 -8.949 -8.660 -14.440 1.00 0.00 H new ATOM 1326 N ASP B 110 -10.281 -8.580 -17.363 1.00 0.00 N ATOM 1327 CA ASP B 110 -10.054 -9.102 -18.732 1.00 0.00 C ATOM 1328 C ASP B 110 -10.589 -8.084 -19.745 1.00 0.00 C ATOM 1329 O ASP B 110 -10.673 -8.339 -20.947 1.00 0.00 O ATOM 1330 CB ASP B 110 -10.758 -10.428 -18.941 1.00 0.00 C ATOM 1331 CG ASP B 110 -10.302 -11.181 -20.180 1.00 0.00 C ATOM 1332 OD1 ASP B 110 -9.101 -11.110 -20.517 1.00 0.00 O ATOM 1333 OD2 ASP B 110 -11.151 -11.858 -20.807 1.00 0.00 O ATOM 0 H ASP B 110 -9.554 -7.942 -17.040 1.00 0.00 H new ATOM 0 HA ASP B 110 -8.984 -9.259 -18.870 1.00 0.00 H new ATOM 0 HB2 ASP B 110 -10.594 -11.057 -18.066 1.00 0.00 H new ATOM 0 HB3 ASP B 110 -11.831 -10.251 -19.010 1.00 0.00 H new ATOM 1338 N SER B 111 -10.924 -6.920 -19.214 1.00 0.00 N ATOM 1339 CA SER B 111 -11.438 -5.804 -19.995 1.00 0.00 C ATOM 1340 C SER B 111 -11.384 -4.484 -19.215 1.00 0.00 C ATOM 1341 O SER B 111 -11.044 -3.446 -19.788 1.00 0.00 O ATOM 1342 CB SER B 111 -12.876 -6.083 -20.445 1.00 0.00 C ATOM 1343 OG SER B 111 -13.174 -5.399 -21.655 1.00 0.00 O ATOM 0 H SER B 111 -10.846 -6.720 -18.217 1.00 0.00 H new ATOM 0 HA SER B 111 -10.797 -5.701 -20.870 1.00 0.00 H new ATOM 0 HB2 SER B 111 -13.015 -7.155 -20.586 1.00 0.00 H new ATOM 0 HB3 SER B 111 -13.571 -5.771 -19.666 1.00 0.00 H new ATOM 0 HG SER B 111 -14.096 -5.594 -21.923 1.00 0.00 H new ATOM 1349 N ASP B 112 -11.765 -4.499 -17.926 1.00 0.00 N ATOM 1350 CA ASP B 112 -11.800 -3.269 -17.134 1.00 0.00 C ATOM 1351 C ASP B 112 -10.407 -2.662 -16.833 1.00 0.00 C ATOM 1352 O ASP B 112 -10.085 -2.371 -15.685 1.00 0.00 O ATOM 1353 CB ASP B 112 -12.585 -3.535 -15.846 1.00 0.00 C ATOM 1354 CG ASP B 112 -13.934 -2.846 -15.834 1.00 0.00 C ATOM 1355 OD1 ASP B 112 -14.872 -3.381 -16.457 1.00 0.00 O ATOM 1356 OD2 ASP B 112 -14.053 -1.772 -15.204 1.00 0.00 O ATOM 0 H ASP B 112 -12.048 -5.339 -17.421 1.00 0.00 H new ATOM 0 HA ASP B 112 -12.300 -2.511 -17.736 1.00 0.00 H new ATOM 0 HB2 ASP B 112 -12.728 -4.609 -15.727 1.00 0.00 H new ATOM 0 HB3 ASP B 112 -12.000 -3.195 -14.991 1.00 0.00 H new ATOM 1361 N SER B 113 -9.590 -2.449 -17.868 1.00 0.00 N ATOM 1362 CA SER B 113 -8.257 -1.839 -17.718 1.00 0.00 C ATOM 1363 C SER B 113 -7.337 -2.572 -16.732 1.00 0.00 C ATOM 1364 O SER B 113 -6.250 -2.079 -16.430 1.00 0.00 O ATOM 1365 CB SER B 113 -8.415 -0.386 -17.267 1.00 0.00 C ATOM 1366 OG SER B 113 -8.423 0.497 -18.378 1.00 0.00 O ATOM 0 H SER B 113 -9.828 -2.691 -18.830 1.00 0.00 H new ATOM 0 HA SER B 113 -7.779 -1.907 -18.695 1.00 0.00 H new ATOM 0 HB2 SER B 113 -9.342 -0.276 -16.704 1.00 0.00 H new ATOM 0 HB3 SER B 113 -7.600 -0.121 -16.594 1.00 0.00 H new ATOM 0 HG SER B 113 -9.194 1.099 -18.312 1.00 0.00 H new ATOM 1372 N TYR B 114 -7.746 -3.742 -16.245 1.00 0.00 N ATOM 1373 CA TYR B 114 -6.920 -4.489 -15.304 1.00 0.00 C ATOM 1374 C TYR B 114 -5.606 -4.931 -15.942 1.00 0.00 C ATOM 1375 O TYR B 114 -4.527 -4.706 -15.392 1.00 0.00 O ATOM 1376 CB TYR B 114 -7.636 -5.734 -14.807 1.00 0.00 C ATOM 1377 CG TYR B 114 -6.675 -6.879 -14.553 1.00 0.00 C ATOM 1378 CD1 TYR B 114 -5.866 -6.887 -13.428 1.00 0.00 C ATOM 1379 CD2 TYR B 114 -6.549 -7.925 -15.461 1.00 0.00 C ATOM 1380 CE1 TYR B 114 -4.966 -7.903 -13.205 1.00 0.00 C ATOM 1381 CE2 TYR B 114 -5.647 -8.945 -15.249 1.00 0.00 C ATOM 1382 CZ TYR B 114 -4.856 -8.932 -14.115 1.00 0.00 C ATOM 1383 OH TYR B 114 -3.954 -9.948 -13.895 1.00 0.00 O ATOM 0 H TYR B 114 -8.632 -4.187 -16.483 1.00 0.00 H new ATOM 0 HA TYR B 114 -6.720 -3.815 -14.471 1.00 0.00 H new ATOM 0 HB2 TYR B 114 -8.173 -5.501 -13.888 1.00 0.00 H new ATOM 0 HB3 TYR B 114 -8.380 -6.042 -15.541 1.00 0.00 H new ATOM 0 HD1 TYR B 114 -5.944 -6.081 -12.713 1.00 0.00 H new ATOM 0 HD2 TYR B 114 -7.168 -7.938 -16.346 1.00 0.00 H new ATOM 0 HE1 TYR B 114 -4.348 -7.894 -12.320 1.00 0.00 H new ATOM 0 HE2 TYR B 114 -5.558 -9.749 -15.964 1.00 0.00 H new ATOM 0 HH TYR B 114 -4.290 -10.776 -14.297 1.00 0.00 H new ATOM 1393 N GLN B 115 -5.722 -5.632 -17.078 1.00 0.00 N ATOM 1394 CA GLN B 115 -4.558 -6.191 -17.766 1.00 0.00 C ATOM 1395 C GLN B 115 -3.437 -5.167 -17.952 1.00 0.00 C ATOM 1396 O GLN B 115 -2.270 -5.529 -17.889 1.00 0.00 O ATOM 1397 CB GLN B 115 -4.973 -6.790 -19.113 1.00 0.00 C ATOM 1398 CG GLN B 115 -6.182 -7.715 -19.022 1.00 0.00 C ATOM 1399 CD GLN B 115 -7.449 -7.091 -19.570 1.00 0.00 C ATOM 1400 OE1 GLN B 115 -8.168 -6.400 -18.851 1.00 0.00 O ATOM 1401 NE2 GLN B 115 -7.735 -7.338 -20.839 1.00 0.00 N ATOM 0 H GLN B 115 -6.612 -5.824 -17.538 1.00 0.00 H new ATOM 0 HA GLN B 115 -4.159 -6.981 -17.131 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -5.197 -5.981 -19.808 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -4.132 -7.344 -19.529 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -5.971 -8.634 -19.568 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -6.342 -7.993 -17.980 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -7.110 -7.917 -21.399 1.00 0.00 H new ATOM 0 HE22 GLN B 115 -8.581 -6.949 -21.256 1.00 0.00 H new ATOM 1410 N LEU B 116 -3.775 -3.898 -18.163 1.00 0.00 N ATOM 1411 CA LEU B 116 -2.750 -2.859 -18.325 1.00 0.00 C ATOM 1412 C LEU B 116 -1.745 -2.896 -17.158 1.00 0.00 C ATOM 1413 O LEU B 116 -0.537 -3.005 -17.362 1.00 0.00 O ATOM 1414 CB LEU B 116 -3.409 -1.476 -18.393 1.00 0.00 C ATOM 1415 CG LEU B 116 -3.657 -0.933 -19.800 1.00 0.00 C ATOM 1416 CD1 LEU B 116 -4.913 -0.077 -19.827 1.00 0.00 C ATOM 1417 CD2 LEU B 116 -2.458 -0.130 -20.274 1.00 0.00 C ATOM 0 H LEU B 116 -4.736 -3.562 -18.226 1.00 0.00 H new ATOM 0 HA LEU B 116 -2.214 -3.051 -19.254 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -4.362 -1.521 -17.867 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -2.781 -0.767 -17.854 1.00 0.00 H new ATOM 0 HG LEU B 116 -3.801 -1.776 -20.476 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -5.074 0.301 -20.837 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -5.770 -0.679 -19.524 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -4.797 0.761 -19.140 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -2.649 0.251 -21.277 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -2.288 0.706 -19.595 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -1.575 -0.769 -20.290 1.00 0.00 H new ATOM 1429 N LEU B 117 -2.277 -2.780 -15.941 1.00 0.00 N ATOM 1430 CA LEU B 117 -1.432 -2.775 -14.734 1.00 0.00 C ATOM 1431 C LEU B 117 -0.536 -4.009 -14.657 1.00 0.00 C ATOM 1432 O LEU B 117 0.676 -3.905 -14.450 1.00 0.00 O ATOM 1433 CB LEU B 117 -2.254 -2.701 -13.462 1.00 0.00 C ATOM 1434 CG LEU B 117 -2.057 -1.421 -12.652 1.00 0.00 C ATOM 1435 CD1 LEU B 117 -0.648 -1.363 -12.084 1.00 0.00 C ATOM 1436 CD2 LEU B 117 -2.333 -0.204 -13.515 1.00 0.00 C ATOM 0 H LEU B 117 -3.277 -2.689 -15.760 1.00 0.00 H new ATOM 0 HA LEU B 117 -0.813 -1.882 -14.816 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -3.309 -2.793 -13.721 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -2.004 -3.556 -12.833 1.00 0.00 H new ATOM 0 HG LEU B 117 -2.762 -1.424 -11.821 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -0.525 -0.445 -11.510 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -0.482 -2.222 -11.434 1.00 0.00 H new ATOM 0 HD13 LEU B 117 0.074 -1.380 -12.900 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -2.189 0.701 -12.925 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -1.649 -0.197 -14.363 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -3.360 -0.241 -13.878 1.00 0.00 H new ATOM 1448 N LYS B 118 -1.148 -5.174 -14.814 1.00 0.00 N ATOM 1449 CA LYS B 118 -0.433 -6.444 -14.754 1.00 0.00 C ATOM 1450 C LYS B 118 0.438 -6.648 -15.984 1.00 0.00 C ATOM 1451 O LYS B 118 1.446 -7.350 -15.935 1.00 0.00 O ATOM 1452 CB LYS B 118 -1.430 -7.586 -14.608 1.00 0.00 C ATOM 1453 CG LYS B 118 -2.426 -7.636 -15.743 1.00 0.00 C ATOM 1454 CD LYS B 118 -2.570 -9.052 -16.285 1.00 0.00 C ATOM 1455 CE LYS B 118 -2.640 -9.074 -17.799 1.00 0.00 C ATOM 1456 NZ LYS B 118 -2.342 -10.434 -18.340 1.00 0.00 N ATOM 0 H LYS B 118 -2.149 -5.267 -14.986 1.00 0.00 H new ATOM 0 HA LYS B 118 0.226 -6.429 -13.886 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -0.890 -8.532 -14.562 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -1.965 -7.478 -13.664 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -3.395 -7.276 -15.397 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -2.105 -6.968 -16.542 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -1.726 -9.656 -15.952 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -3.470 -9.508 -15.873 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -3.633 -8.762 -18.123 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -1.930 -8.355 -18.208 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -2.398 -10.415 -19.378 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -1.385 -10.721 -18.050 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -3.035 -11.115 -17.968 1.00 0.00 H new ATOM 1470 N ALA B 119 0.046 -6.007 -17.073 1.00 0.00 N ATOM 1471 CA ALA B 119 0.788 -6.083 -18.324 1.00 0.00 C ATOM 1472 C ALA B 119 2.222 -5.600 -18.113 1.00 0.00 C ATOM 1473 O ALA B 119 3.139 -6.008 -18.825 1.00 0.00 O ATOM 1474 CB ALA B 119 0.101 -5.271 -19.414 1.00 0.00 C ATOM 0 H ALA B 119 -0.789 -5.423 -17.117 1.00 0.00 H new ATOM 0 HA ALA B 119 0.813 -7.123 -18.649 1.00 0.00 H new ATOM 0 HB1 ALA B 119 0.674 -5.344 -20.338 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -0.904 -5.660 -19.579 1.00 0.00 H new ATOM 0 HB3 ALA B 119 0.040 -4.227 -19.106 1.00 0.00 H new ATOM 1480 N TYR B 120 2.398 -4.740 -17.108 1.00 0.00 N ATOM 1481 CA TYR B 120 3.702 -4.208 -16.766 1.00 0.00 C ATOM 1482 C TYR B 120 4.394 -5.142 -15.773 1.00 0.00 C ATOM 1483 O TYR B 120 5.573 -5.440 -15.945 1.00 0.00 O ATOM 1484 CB TYR B 120 3.576 -2.800 -16.165 1.00 0.00 C ATOM 1485 CG TYR B 120 2.681 -1.854 -16.946 1.00 0.00 C ATOM 1486 CD1 TYR B 120 2.473 -2.013 -18.312 1.00 0.00 C ATOM 1487 CD2 TYR B 120 2.046 -0.794 -16.310 1.00 0.00 C ATOM 1488 CE1 TYR B 120 1.659 -1.142 -19.016 1.00 0.00 C ATOM 1489 CE2 TYR B 120 1.236 0.074 -17.004 1.00 0.00 C ATOM 1490 CZ TYR B 120 1.045 -0.101 -18.355 1.00 0.00 C ATOM 1491 OH TYR B 120 0.238 0.772 -19.049 1.00 0.00 O ATOM 0 H TYR B 120 1.640 -4.399 -16.516 1.00 0.00 H new ATOM 0 HA TYR B 120 4.300 -4.139 -17.675 1.00 0.00 H new ATOM 0 HB2 TYR B 120 3.191 -2.887 -15.149 1.00 0.00 H new ATOM 0 HB3 TYR B 120 4.571 -2.360 -16.093 1.00 0.00 H new ATOM 0 HD1 TYR B 120 2.954 -2.829 -18.832 1.00 0.00 H new ATOM 0 HD2 TYR B 120 2.192 -0.649 -15.250 1.00 0.00 H new ATOM 0 HE1 TYR B 120 1.506 -1.278 -20.077 1.00 0.00 H new ATOM 0 HE2 TYR B 120 0.751 0.891 -16.490 1.00 0.00 H new ATOM 0 HH TYR B 120 0.341 1.675 -18.682 1.00 0.00 H new ATOM 1501 N ASP B 121 3.618 -5.598 -14.756 1.00 0.00 N ATOM 1502 CA ASP B 121 4.082 -6.529 -13.696 1.00 0.00 C ATOM 1503 C ASP B 121 3.734 -6.000 -12.299 1.00 0.00 C ATOM 1504 O ASP B 121 4.513 -6.133 -11.352 1.00 0.00 O ATOM 1505 CB ASP B 121 5.586 -6.804 -13.768 1.00 0.00 C ATOM 1506 CG ASP B 121 5.921 -8.053 -14.564 1.00 0.00 C ATOM 1507 OD1 ASP B 121 5.197 -8.362 -15.535 1.00 0.00 O ATOM 1508 OD2 ASP B 121 6.906 -8.730 -14.206 1.00 0.00 O ATOM 0 H ASP B 121 2.641 -5.326 -14.648 1.00 0.00 H new ATOM 0 HA ASP B 121 3.557 -7.467 -13.874 1.00 0.00 H new ATOM 0 HB2 ASP B 121 6.086 -5.947 -14.219 1.00 0.00 H new ATOM 0 HB3 ASP B 121 5.980 -6.907 -12.757 1.00 0.00 H new ATOM 1513 N VAL B 122 2.562 -5.396 -12.182 1.00 0.00 N ATOM 1514 CA VAL B 122 2.096 -4.834 -10.917 1.00 0.00 C ATOM 1515 C VAL B 122 0.774 -5.435 -10.513 1.00 0.00 C ATOM 1516 O VAL B 122 0.578 -5.760 -9.338 1.00 0.00 O ATOM 1517 CB VAL B 122 1.960 -3.299 -11.020 1.00 0.00 C ATOM 1518 CG1 VAL B 122 1.427 -2.706 -9.724 1.00 0.00 C ATOM 1519 CG2 VAL B 122 3.295 -2.666 -11.386 1.00 0.00 C ATOM 0 H VAL B 122 1.907 -5.280 -12.955 1.00 0.00 H new ATOM 0 HA VAL B 122 2.837 -5.075 -10.155 1.00 0.00 H new ATOM 0 HB VAL B 122 1.243 -3.079 -11.811 1.00 0.00 H new ATOM 0 HG11 VAL B 122 1.342 -1.624 -9.827 1.00 0.00 H new ATOM 0 HG12 VAL B 122 0.446 -3.128 -9.507 1.00 0.00 H new ATOM 0 HG13 VAL B 122 2.111 -2.940 -8.908 1.00 0.00 H new ATOM 0 HG21 VAL B 122 3.178 -1.584 -11.454 1.00 0.00 H new ATOM 0 HG22 VAL B 122 4.033 -2.904 -10.620 1.00 0.00 H new ATOM 0 HG23 VAL B 122 3.631 -3.056 -12.347 1.00 0.00 H new ATOM 1529 N ASN B 123 -0.152 -5.564 -11.459 1.00 0.00 N ATOM 1530 CA ASN B 123 -1.447 -6.098 -11.117 1.00 0.00 C ATOM 1531 C ASN B 123 -2.042 -5.125 -10.097 1.00 0.00 C ATOM 1532 O ASN B 123 -1.986 -3.912 -10.313 1.00 0.00 O ATOM 1533 CB ASN B 123 -1.269 -7.529 -10.561 1.00 0.00 C ATOM 1534 CG ASN B 123 -2.164 -8.547 -11.233 1.00 0.00 C ATOM 1535 OD1 ASN B 123 -3.321 -8.705 -10.863 1.00 0.00 O ATOM 1536 ND2 ASN B 123 -1.626 -9.254 -12.216 1.00 0.00 N ATOM 0 H ASN B 123 -0.027 -5.311 -12.439 1.00 0.00 H new ATOM 0 HA ASN B 123 -2.121 -6.185 -11.969 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -0.229 -7.832 -10.684 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -1.476 -7.524 -9.491 1.00 0.00 H new ATOM 0 HD21 ASN B 123 -2.180 -9.963 -12.697 1.00 0.00 H new ATOM 0 HD22 ASN B 123 -0.658 -9.089 -12.492 1.00 0.00 H new ATOM 1543 N ILE B 124 -2.582 -5.605 -8.996 1.00 0.00 N ATOM 1544 CA ILE B 124 -3.126 -4.684 -8.007 1.00 0.00 C ATOM 1545 C ILE B 124 -2.715 -5.009 -6.578 1.00 0.00 C ATOM 1546 O ILE B 124 -3.264 -4.421 -5.646 1.00 0.00 O ATOM 1547 CB ILE B 124 -4.651 -4.587 -8.051 1.00 0.00 C ATOM 1548 CG1 ILE B 124 -5.231 -5.616 -8.988 1.00 0.00 C ATOM 1549 CG2 ILE B 124 -5.091 -3.193 -8.464 1.00 0.00 C ATOM 1550 CD1 ILE B 124 -4.905 -7.014 -8.555 1.00 0.00 C ATOM 0 H ILE B 124 -2.658 -6.595 -8.763 1.00 0.00 H new ATOM 0 HA ILE B 124 -2.692 -3.725 -8.290 1.00 0.00 H new ATOM 0 HB ILE B 124 -5.026 -4.786 -7.047 1.00 0.00 H new ATOM 0 HG12 ILE B 124 -6.313 -5.494 -9.036 1.00 0.00 H new ATOM 0 HG13 ILE B 124 -4.846 -5.449 -9.994 1.00 0.00 H new ATOM 0 HG21 ILE B 124 -6.180 -3.147 -8.488 1.00 0.00 H new ATOM 0 HG22 ILE B 124 -4.713 -2.465 -7.746 1.00 0.00 H new ATOM 0 HG23 ILE B 124 -4.696 -2.965 -9.454 1.00 0.00 H new ATOM 0 HD11 ILE B 124 -5.342 -7.724 -9.258 1.00 0.00 H new ATOM 0 HD12 ILE B 124 -3.823 -7.145 -8.532 1.00 0.00 H new ATOM 0 HD13 ILE B 124 -5.313 -7.191 -7.560 1.00 0.00 H new ATOM 1562 N SER B 125 -1.792 -5.956 -6.395 1.00 0.00 N ATOM 1563 CA SER B 125 -1.387 -6.343 -5.034 1.00 0.00 C ATOM 1564 C SER B 125 -1.292 -5.103 -4.146 1.00 0.00 C ATOM 1565 O SER B 125 -2.076 -4.934 -3.200 1.00 0.00 O ATOM 1566 CB SER B 125 -0.048 -7.082 -5.041 1.00 0.00 C ATOM 1567 OG SER B 125 0.008 -8.030 -3.985 1.00 0.00 O ATOM 0 H SER B 125 -1.320 -6.459 -7.146 1.00 0.00 H new ATOM 0 HA SER B 125 -2.144 -7.019 -4.636 1.00 0.00 H new ATOM 0 HB2 SER B 125 0.089 -7.587 -5.997 1.00 0.00 H new ATOM 0 HB3 SER B 125 0.768 -6.367 -4.938 1.00 0.00 H new ATOM 0 HG SER B 125 0.871 -8.494 -4.007 1.00 0.00 H new ATOM 1573 N GLY B 126 -0.362 -4.211 -4.489 1.00 0.00 N ATOM 1574 CA GLY B 126 -0.204 -2.972 -3.751 1.00 0.00 C ATOM 1575 C GLY B 126 -1.083 -1.869 -4.311 1.00 0.00 C ATOM 1576 O GLY B 126 -1.539 -1.005 -3.572 1.00 0.00 O ATOM 0 H GLY B 126 0.286 -4.328 -5.268 1.00 0.00 H new ATOM 0 HA2 GLY B 126 -0.453 -3.139 -2.703 1.00 0.00 H new ATOM 0 HA3 GLY B 126 0.839 -2.659 -3.785 1.00 0.00 H new ATOM 1580 N LEU B 127 -1.335 -1.915 -5.624 1.00 0.00 N ATOM 1581 CA LEU B 127 -2.176 -0.939 -6.295 1.00 0.00 C ATOM 1582 C LEU B 127 -3.528 -0.817 -5.589 1.00 0.00 C ATOM 1583 O LEU B 127 -3.880 0.248 -5.077 1.00 0.00 O ATOM 1584 CB LEU B 127 -2.373 -1.376 -7.751 1.00 0.00 C ATOM 1585 CG LEU B 127 -2.438 -0.261 -8.787 1.00 0.00 C ATOM 1586 CD1 LEU B 127 -3.636 -0.474 -9.694 1.00 0.00 C ATOM 1587 CD2 LEU B 127 -2.498 1.096 -8.109 1.00 0.00 C ATOM 0 H LEU B 127 -0.958 -2.632 -6.244 1.00 0.00 H new ATOM 0 HA LEU B 127 -1.694 0.038 -6.265 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -1.557 -2.046 -8.020 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -3.295 -1.955 -7.813 1.00 0.00 H new ATOM 0 HG LEU B 127 -1.534 -0.286 -9.395 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -3.679 0.326 -10.434 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -3.542 -1.434 -10.202 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -4.549 -0.467 -9.099 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -2.544 1.879 -8.866 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -3.385 1.149 -7.478 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -1.608 1.236 -7.496 1.00 0.00 H new ATOM 1599 N VAL B 128 -4.263 -1.932 -5.551 1.00 0.00 N ATOM 1600 CA VAL B 128 -5.565 -1.981 -4.890 1.00 0.00 C ATOM 1601 C VAL B 128 -5.425 -1.497 -3.451 1.00 0.00 C ATOM 1602 O VAL B 128 -5.975 -0.468 -3.075 1.00 0.00 O ATOM 1603 CB VAL B 128 -6.146 -3.421 -4.900 1.00 0.00 C ATOM 1604 CG1 VAL B 128 -7.072 -3.670 -3.718 1.00 0.00 C ATOM 1605 CG2 VAL B 128 -6.884 -3.692 -6.192 1.00 0.00 C ATOM 0 H VAL B 128 -3.975 -2.815 -5.973 1.00 0.00 H new ATOM 0 HA VAL B 128 -6.250 -1.332 -5.436 1.00 0.00 H new ATOM 0 HB VAL B 128 -5.301 -4.105 -4.817 1.00 0.00 H new ATOM 0 HG11 VAL B 128 -7.456 -4.689 -3.765 1.00 0.00 H new ATOM 0 HG12 VAL B 128 -6.520 -3.532 -2.788 1.00 0.00 H new ATOM 0 HG13 VAL B 128 -7.904 -2.967 -3.753 1.00 0.00 H new ATOM 0 HG21 VAL B 128 -7.283 -4.706 -6.177 1.00 0.00 H new ATOM 0 HG22 VAL B 128 -7.704 -2.981 -6.299 1.00 0.00 H new ATOM 0 HG23 VAL B 128 -6.198 -3.584 -7.032 1.00 0.00 H new ATOM 1615 N SER B 129 -4.665 -2.251 -2.670 1.00 0.00 N ATOM 1616 CA SER B 129 -4.413 -1.948 -1.273 1.00 0.00 C ATOM 1617 C SER B 129 -3.977 -0.485 -1.049 1.00 0.00 C ATOM 1618 O SER B 129 -4.488 0.181 -0.148 1.00 0.00 O ATOM 1619 CB SER B 129 -3.338 -2.915 -0.763 1.00 0.00 C ATOM 1620 OG SER B 129 -2.028 -2.407 -0.987 1.00 0.00 O ATOM 0 H SER B 129 -4.202 -3.100 -2.995 1.00 0.00 H new ATOM 0 HA SER B 129 -5.342 -2.073 -0.717 1.00 0.00 H new ATOM 0 HB2 SER B 129 -3.483 -3.092 0.303 1.00 0.00 H new ATOM 0 HB3 SER B 129 -3.446 -3.877 -1.263 1.00 0.00 H new ATOM 0 HG SER B 129 -1.367 -3.047 -0.649 1.00 0.00 H new ATOM 1626 N THR B 130 -3.066 0.031 -1.872 1.00 0.00 N ATOM 1627 CA THR B 130 -2.613 1.408 -1.729 1.00 0.00 C ATOM 1628 C THR B 130 -3.723 2.356 -2.118 1.00 0.00 C ATOM 1629 O THR B 130 -4.087 3.250 -1.350 1.00 0.00 O ATOM 1630 CB THR B 130 -1.369 1.664 -2.586 1.00 0.00 C ATOM 1631 OG1 THR B 130 -0.203 1.256 -1.898 1.00 0.00 O ATOM 1632 CG2 THR B 130 -1.180 3.117 -2.972 1.00 0.00 C ATOM 0 H THR B 130 -2.631 -0.482 -2.639 1.00 0.00 H new ATOM 0 HA THR B 130 -2.346 1.580 -0.686 1.00 0.00 H new ATOM 0 HB THR B 130 -1.527 1.085 -3.496 1.00 0.00 H new ATOM 0 HG1 THR B 130 0.583 1.424 -2.458 1.00 0.00 H new ATOM 0 HG21 THR B 130 -0.279 3.218 -3.577 1.00 0.00 H new ATOM 0 HG22 THR B 130 -2.043 3.456 -3.545 1.00 0.00 H new ATOM 0 HG23 THR B 130 -1.082 3.723 -2.071 1.00 0.00 H new ATOM 1640 N THR B 131 -4.259 2.161 -3.320 1.00 0.00 N ATOM 1641 CA THR B 131 -5.324 3.018 -3.795 1.00 0.00 C ATOM 1642 C THR B 131 -6.512 2.980 -2.833 1.00 0.00 C ATOM 1643 O THR B 131 -7.156 4.002 -2.583 1.00 0.00 O ATOM 1644 CB THR B 131 -5.751 2.664 -5.224 1.00 0.00 C ATOM 1645 OG1 THR B 131 -6.139 3.832 -5.928 1.00 0.00 O ATOM 1646 CG2 THR B 131 -6.906 1.691 -5.306 1.00 0.00 C ATOM 0 H THR B 131 -3.974 1.427 -3.969 1.00 0.00 H new ATOM 0 HA THR B 131 -4.940 4.038 -3.825 1.00 0.00 H new ATOM 0 HB THR B 131 -4.875 2.189 -5.665 1.00 0.00 H new ATOM 0 HG1 THR B 131 -6.830 3.604 -6.584 1.00 0.00 H new ATOM 0 HG21 THR B 131 -7.143 1.495 -6.352 1.00 0.00 H new ATOM 0 HG22 THR B 131 -6.631 0.757 -4.815 1.00 0.00 H new ATOM 0 HG23 THR B 131 -7.778 2.118 -4.810 1.00 0.00 H new ATOM 1654 N MET B 132 -6.779 1.790 -2.288 1.00 0.00 N ATOM 1655 CA MET B 132 -7.867 1.591 -1.337 1.00 0.00 C ATOM 1656 C MET B 132 -7.832 2.640 -0.224 1.00 0.00 C ATOM 1657 O MET B 132 -8.858 3.226 0.107 1.00 0.00 O ATOM 1658 CB MET B 132 -7.784 0.184 -0.734 1.00 0.00 C ATOM 1659 CG MET B 132 -8.166 -0.921 -1.709 1.00 0.00 C ATOM 1660 SD MET B 132 -9.659 -1.779 -1.213 1.00 0.00 S ATOM 1661 CE MET B 132 -10.023 -2.728 -2.672 1.00 0.00 C ATOM 0 H MET B 132 -6.248 0.944 -2.495 1.00 0.00 H new ATOM 0 HA MET B 132 -8.809 1.701 -1.874 1.00 0.00 H new ATOM 0 HB2 MET B 132 -6.768 0.009 -0.380 1.00 0.00 H new ATOM 0 HB3 MET B 132 -8.439 0.132 0.136 1.00 0.00 H new ATOM 0 HG2 MET B 132 -8.308 -0.494 -2.702 1.00 0.00 H new ATOM 0 HG3 MET B 132 -7.347 -1.636 -1.784 1.00 0.00 H new ATOM 0 HE1 MET B 132 -11.007 -3.187 -2.572 1.00 0.00 H new ATOM 0 HE2 MET B 132 -10.015 -2.073 -3.543 1.00 0.00 H new ATOM 0 HE3 MET B 132 -9.271 -3.507 -2.797 1.00 0.00 H new ATOM 1671 N GLN B 133 -6.649 2.878 0.346 1.00 0.00 N ATOM 1672 CA GLN B 133 -6.501 3.864 1.421 1.00 0.00 C ATOM 1673 C GLN B 133 -6.872 5.269 0.943 1.00 0.00 C ATOM 1674 O GLN B 133 -7.630 5.977 1.607 1.00 0.00 O ATOM 1675 CB GLN B 133 -5.071 3.841 1.988 1.00 0.00 C ATOM 1676 CG GLN B 133 -4.275 5.129 1.779 1.00 0.00 C ATOM 1677 CD GLN B 133 -2.999 5.180 2.599 1.00 0.00 C ATOM 1678 OE1 GLN B 133 -2.956 5.793 3.663 1.00 0.00 O ATOM 1679 NE2 GLN B 133 -1.951 4.535 2.105 1.00 0.00 N ATOM 0 H GLN B 133 -5.784 2.405 0.084 1.00 0.00 H new ATOM 0 HA GLN B 133 -7.192 3.592 2.219 1.00 0.00 H new ATOM 0 HB2 GLN B 133 -5.123 3.632 3.057 1.00 0.00 H new ATOM 0 HB3 GLN B 133 -4.527 3.016 1.528 1.00 0.00 H new ATOM 0 HG2 GLN B 133 -4.025 5.227 0.723 1.00 0.00 H new ATOM 0 HG3 GLN B 133 -4.901 5.982 2.039 1.00 0.00 H new ATOM 0 HE21 GLN B 133 -2.030 4.038 1.218 1.00 0.00 H new ATOM 0 HE22 GLN B 133 -1.066 4.536 2.612 1.00 0.00 H new ATOM 1688 N ASN B 134 -6.332 5.667 -0.207 1.00 0.00 N ATOM 1689 CA ASN B 134 -6.615 6.990 -0.759 1.00 0.00 C ATOM 1690 C ASN B 134 -8.108 7.168 -0.974 1.00 0.00 C ATOM 1691 O ASN B 134 -8.714 8.091 -0.426 1.00 0.00 O ATOM 1692 CB ASN B 134 -5.866 7.191 -2.079 1.00 0.00 C ATOM 1693 CG ASN B 134 -5.098 8.492 -2.134 1.00 0.00 C ATOM 1694 OD1 ASN B 134 -5.444 9.471 -1.467 1.00 0.00 O ATOM 1695 ND2 ASN B 134 -4.048 8.506 -2.941 1.00 0.00 N ATOM 0 H ASN B 134 -5.701 5.098 -0.771 1.00 0.00 H new ATOM 0 HA ASN B 134 -6.273 7.739 -0.045 1.00 0.00 H new ATOM 0 HB2 ASN B 134 -5.175 6.362 -2.227 1.00 0.00 H new ATOM 0 HB3 ASN B 134 -6.580 7.162 -2.903 1.00 0.00 H new ATOM 0 HD21 ASN B 134 -3.485 9.352 -3.031 1.00 0.00 H new ATOM 0 HD22 ASN B 134 -3.802 7.671 -3.472 1.00 0.00 H new ATOM 1702 N GLU B 135 -8.701 6.263 -1.749 1.00 0.00 N ATOM 1703 CA GLU B 135 -10.134 6.317 -2.000 1.00 0.00 C ATOM 1704 C GLU B 135 -10.888 6.202 -0.681 1.00 0.00 C ATOM 1705 O GLU B 135 -11.861 6.911 -0.457 1.00 0.00 O ATOM 1706 CB GLU B 135 -10.568 5.212 -2.971 1.00 0.00 C ATOM 1707 CG GLU B 135 -10.962 5.728 -4.353 1.00 0.00 C ATOM 1708 CD GLU B 135 -11.790 7.001 -4.306 1.00 0.00 C ATOM 1709 OE1 GLU B 135 -13.014 6.905 -4.077 1.00 0.00 O ATOM 1710 OE2 GLU B 135 -11.210 8.090 -4.501 1.00 0.00 O ATOM 0 H GLU B 135 -8.216 5.492 -2.208 1.00 0.00 H new ATOM 0 HA GLU B 135 -10.371 7.274 -2.465 1.00 0.00 H new ATOM 0 HB2 GLU B 135 -9.754 4.495 -3.079 1.00 0.00 H new ATOM 0 HB3 GLU B 135 -11.412 4.673 -2.540 1.00 0.00 H new ATOM 0 HG2 GLU B 135 -10.059 5.911 -4.936 1.00 0.00 H new ATOM 0 HG3 GLU B 135 -11.526 4.955 -4.874 1.00 0.00 H new ATOM 1717 N ALA B 136 -10.406 5.330 0.210 1.00 0.00 N ATOM 1718 CA ALA B 136 -11.017 5.156 1.522 1.00 0.00 C ATOM 1719 C ALA B 136 -10.991 6.465 2.304 1.00 0.00 C ATOM 1720 O ALA B 136 -11.991 6.850 2.917 1.00 0.00 O ATOM 1721 CB ALA B 136 -10.293 4.063 2.296 1.00 0.00 C ATOM 0 H ALA B 136 -9.594 4.736 0.042 1.00 0.00 H new ATOM 0 HA ALA B 136 -12.057 4.860 1.384 1.00 0.00 H new ATOM 0 HB1 ALA B 136 -10.758 3.941 3.275 1.00 0.00 H new ATOM 0 HB2 ALA B 136 -10.356 3.124 1.745 1.00 0.00 H new ATOM 0 HB3 ALA B 136 -9.246 4.340 2.423 1.00 0.00 H new ATOM 1727 N ARG B 137 -9.846 7.150 2.267 1.00 0.00 N ATOM 1728 CA ARG B 137 -9.689 8.421 2.963 1.00 0.00 C ATOM 1729 C ARG B 137 -10.524 9.506 2.322 1.00 0.00 C ATOM 1730 O ARG B 137 -11.323 10.169 2.979 1.00 0.00 O ATOM 1731 CB ARG B 137 -8.241 8.883 2.910 1.00 0.00 C ATOM 1732 CG ARG B 137 -7.482 8.699 4.212 1.00 0.00 C ATOM 1733 CD ARG B 137 -8.092 9.523 5.334 1.00 0.00 C ATOM 1734 NE ARG B 137 -8.184 8.763 6.582 1.00 0.00 N ATOM 1735 CZ ARG B 137 -8.537 9.281 7.754 1.00 0.00 C ATOM 1736 NH1 ARG B 137 -8.855 10.555 7.868 1.00 0.00 N ATOM 1737 NH2 ARG B 137 -8.577 8.510 8.823 1.00 0.00 N ATOM 0 H ARG B 137 -9.016 6.842 1.761 1.00 0.00 H new ATOM 0 HA ARG B 137 -10.010 8.257 3.992 1.00 0.00 H new ATOM 0 HB2 ARG B 137 -7.725 8.336 2.121 1.00 0.00 H new ATOM 0 HB3 ARG B 137 -8.217 9.937 2.634 1.00 0.00 H new ATOM 0 HG2 ARG B 137 -7.485 7.645 4.490 1.00 0.00 H new ATOM 0 HG3 ARG B 137 -6.441 8.989 4.071 1.00 0.00 H new ATOM 0 HD2 ARG B 137 -7.490 10.417 5.497 1.00 0.00 H new ATOM 0 HD3 ARG B 137 -9.086 9.858 5.039 1.00 0.00 H new ATOM 0 HE ARG B 137 -7.962 7.768 6.550 1.00 0.00 H new ATOM 0 HH11 ARG B 137 -8.833 11.162 7.048 1.00 0.00 H new ATOM 0 HH12 ARG B 137 -9.123 10.934 8.776 1.00 0.00 H new ATOM 0 HH21 ARG B 137 -8.338 7.521 8.748 1.00 0.00 H new ATOM 0 HH22 ARG B 137 -8.847 8.902 9.725 1.00 0.00 H new ATOM 1751 N ARG B 138 -10.286 9.707 1.034 1.00 0.00 N ATOM 1752 CA ARG B 138 -10.964 10.749 0.289 1.00 0.00 C ATOM 1753 C ARG B 138 -12.469 10.480 0.106 1.00 0.00 C ATOM 1754 O ARG B 138 -13.219 11.401 -0.219 1.00 0.00 O ATOM 1755 CB ARG B 138 -10.282 10.956 -1.065 1.00 0.00 C ATOM 1756 CG ARG B 138 -9.313 12.130 -1.073 1.00 0.00 C ATOM 1757 CD ARG B 138 -8.086 11.846 -1.929 1.00 0.00 C ATOM 1758 NE ARG B 138 -6.904 11.518 -1.119 1.00 0.00 N ATOM 1759 CZ ARG B 138 -6.326 12.343 -0.247 1.00 0.00 C ATOM 1760 NH1 ARG B 138 -6.798 13.561 -0.052 1.00 0.00 N ATOM 1761 NH2 ARG B 138 -5.263 11.941 0.419 1.00 0.00 N ATOM 0 H ARG B 138 -9.625 9.158 0.484 1.00 0.00 H new ATOM 0 HA ARG B 138 -10.887 11.662 0.879 1.00 0.00 H new ATOM 0 HB2 ARG B 138 -9.745 10.047 -1.337 1.00 0.00 H new ATOM 0 HB3 ARG B 138 -11.044 11.116 -1.828 1.00 0.00 H new ATOM 0 HG2 ARG B 138 -9.821 13.018 -1.450 1.00 0.00 H new ATOM 0 HG3 ARG B 138 -9.001 12.350 -0.052 1.00 0.00 H new ATOM 0 HD2 ARG B 138 -8.301 11.019 -2.605 1.00 0.00 H new ATOM 0 HD3 ARG B 138 -7.869 12.716 -2.549 1.00 0.00 H new ATOM 0 HE ARG B 138 -6.496 10.590 -1.233 1.00 0.00 H new ATOM 0 HH11 ARG B 138 -7.615 13.881 -0.572 1.00 0.00 H new ATOM 0 HH12 ARG B 138 -6.345 14.182 0.619 1.00 0.00 H new ATOM 0 HH21 ARG B 138 -4.889 11.005 0.265 1.00 0.00 H new ATOM 0 HH22 ARG B 138 -4.814 12.566 1.089 1.00 0.00 H new