USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 779 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 41 MET CE :methyl -163:sc= -0.0262 (180deg=-0.329) USER MOD Set 1.2: A 43 MET CE :methyl -161:sc= -0.0703 (180deg=-0.743) USER MOD Single : A 4 GLN : amide:sc= 0.566 K(o=0.57,f=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -133:sc= 1.46 (180deg=-0.37) USER MOD Single : A 12 SER OG : rot -33:sc= 1.17 USER MOD Single : A 22 THR OG1 : rot -160:sc= -0.204 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.765 USER MOD Single : A 32 TYR OH : rot 20:sc= 1.22 USER MOD Single : A 33 ASN : amide:sc= 0.404 K(o=0.4,f=-7!) USER MOD Single : A 36 HIS : no HE2:sc= -0.732 K(o=-0.73,f=-5.1!) USER MOD Single : A 38 MET CE :methyl 161:sc= -0.4 (180deg=-1.04) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -167:sc= 1.2 (180deg=0.904) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.541 USER MOD Single : A 65 TYR OH : rot 99:sc= 1.94 USER MOD Single : A 71 GLN : amide:sc= 0.162 K(o=0.16,f=-4.1!) USER MOD Single : A 72 THR OG1 : rot -160:sc= -0.249 USER MOD Single : A 73 SER OG : rot 78:sc= 0.39 USER MOD Single : A 74 GLN : amide:sc= -1.08 K(o=-1.1,f=-0.0057) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HE2:sc= -0.0911 K(o=-0.091,f=-2!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 175:sc= 0.52 (180deg=0.359) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 49 N GLN A 4 5.036 0.159 10.775 1.00 4.53 N ATOM 50 CA GLN A 4 5.476 -0.708 9.679 1.00 75.21 C ATOM 51 C GLN A 4 4.823 -2.097 9.775 1.00 5.30 C ATOM 52 O GLN A 4 5.149 -2.888 10.665 1.00 32.14 O ATOM 53 CB GLN A 4 7.006 -0.857 9.709 1.00 20.11 C ATOM 54 CG GLN A 4 7.761 0.467 9.789 1.00 72.32 C ATOM 55 CD GLN A 4 9.266 0.299 9.679 1.00 24.13 C ATOM 56 OE1 GLN A 4 9.963 0.120 10.674 1.00 40.03 O ATOM 57 NE2 GLN A 4 9.780 0.361 8.471 1.00 3.13 N ATOM 0 HA GLN A 4 5.170 -0.246 8.740 1.00 75.21 H new ATOM 0 HB2 GLN A 4 7.283 -1.473 10.564 1.00 20.11 H new ATOM 0 HB3 GLN A 4 7.326 -1.391 8.814 1.00 20.11 H new ATOM 0 HG2 GLN A 4 7.415 1.125 8.992 1.00 72.32 H new ATOM 0 HG3 GLN A 4 7.524 0.958 10.733 1.00 72.32 H new ATOM 0 HE21 GLN A 4 9.173 0.511 7.665 1.00 3.13 H new ATOM 0 HE22 GLN A 4 10.786 0.259 8.339 1.00 3.13 H new ATOM 66 N SER A 5 3.906 -2.386 8.860 1.00 63.20 N ATOM 67 CA SER A 5 3.218 -3.685 8.830 1.00 4.11 C ATOM 68 C SER A 5 4.003 -4.721 8.014 1.00 31.12 C ATOM 69 O SER A 5 4.606 -4.398 6.990 1.00 52.12 O ATOM 70 CB SER A 5 1.811 -3.535 8.233 1.00 55.51 C ATOM 71 OG SER A 5 1.144 -4.788 8.159 1.00 54.42 O ATOM 0 H SER A 5 3.616 -1.741 8.124 1.00 63.20 H new ATOM 0 HA SER A 5 3.146 -4.035 9.860 1.00 4.11 H new ATOM 0 HB2 SER A 5 1.227 -2.845 8.842 1.00 55.51 H new ATOM 0 HB3 SER A 5 1.881 -3.099 7.237 1.00 55.51 H new ATOM 0 HG SER A 5 0.251 -4.661 7.777 1.00 54.42 H new ATOM 77 N ASP A 6 3.996 -5.967 8.476 1.00 64.53 N ATOM 78 CA ASP A 6 4.628 -7.073 7.747 1.00 34.33 C ATOM 79 C ASP A 6 3.706 -7.600 6.636 1.00 70.42 C ATOM 80 O ASP A 6 2.497 -7.742 6.836 1.00 0.33 O ATOM 81 CB ASP A 6 4.966 -8.211 8.713 1.00 71.21 C ATOM 82 CG ASP A 6 5.936 -7.781 9.795 1.00 23.54 C ATOM 83 OD1 ASP A 6 5.505 -7.131 10.768 1.00 14.02 O ATOM 84 OD2 ASP A 6 7.140 -8.078 9.676 1.00 2.01 O ATOM 0 H ASP A 6 3.559 -6.242 9.356 1.00 64.53 H new ATOM 0 HA ASP A 6 5.543 -6.697 7.289 1.00 34.33 H new ATOM 0 HB2 ASP A 6 4.049 -8.576 9.175 1.00 71.21 H new ATOM 0 HB3 ASP A 6 5.395 -9.043 8.154 1.00 71.21 H new ATOM 89 N ALA A 7 4.281 -7.898 5.470 1.00 53.03 N ATOM 90 CA ALA A 7 3.512 -8.443 4.342 1.00 73.15 C ATOM 91 C ALA A 7 2.757 -9.720 4.740 1.00 3.12 C ATOM 92 O ALA A 7 1.600 -9.920 4.368 1.00 60.34 O ATOM 93 CB ALA A 7 4.436 -8.720 3.160 1.00 31.15 C ATOM 0 H ALA A 7 5.275 -7.773 5.279 1.00 53.03 H new ATOM 0 HA ALA A 7 2.772 -7.698 4.050 1.00 73.15 H new ATOM 0 HB1 ALA A 7 3.855 -9.123 2.331 1.00 31.15 H new ATOM 0 HB2 ALA A 7 4.917 -7.793 2.849 1.00 31.15 H new ATOM 0 HB3 ALA A 7 5.197 -9.442 3.455 1.00 31.15 H new ATOM 99 N HIS A 8 3.423 -10.568 5.516 1.00 43.34 N ATOM 100 CA HIS A 8 2.845 -11.826 5.983 1.00 54.11 C ATOM 101 C HIS A 8 1.676 -11.597 6.957 1.00 25.15 C ATOM 102 O HIS A 8 0.694 -12.340 6.942 1.00 44.02 O ATOM 103 CB HIS A 8 3.962 -12.671 6.611 1.00 40.40 C ATOM 104 CG HIS A 8 3.494 -13.758 7.518 1.00 25.23 C ATOM 105 ND1 HIS A 8 2.970 -14.952 7.077 1.00 4.44 N ATOM 106 CD2 HIS A 8 3.484 -13.817 8.861 1.00 52.24 C ATOM 107 CE1 HIS A 8 2.658 -15.701 8.115 1.00 73.24 C ATOM 108 NE2 HIS A 8 2.960 -15.035 9.209 1.00 31.25 N ATOM 0 H HIS A 8 4.377 -10.405 5.839 1.00 43.34 H new ATOM 0 HA HIS A 8 2.419 -12.364 5.136 1.00 54.11 H new ATOM 0 HB2 HIS A 8 4.555 -13.115 5.811 1.00 40.40 H new ATOM 0 HB3 HIS A 8 4.625 -12.011 7.171 1.00 40.40 H new ATOM 0 HD2 HIS A 8 3.825 -13.049 9.539 1.00 52.24 H new ATOM 0 HE1 HIS A 8 2.228 -16.691 8.075 1.00 73.24 H new ATOM 0 HE2 HIS A 8 2.826 -15.371 10.163 1.00 31.25 H new ATOM 117 N VAL A 9 1.779 -10.562 7.789 1.00 61.23 N ATOM 118 CA VAL A 9 0.713 -10.223 8.742 1.00 70.12 C ATOM 119 C VAL A 9 -0.475 -9.541 8.042 1.00 22.11 C ATOM 120 O VAL A 9 -1.636 -9.774 8.381 1.00 42.53 O ATOM 121 CB VAL A 9 1.252 -9.311 9.876 1.00 51.52 C ATOM 122 CG1 VAL A 9 0.143 -8.940 10.862 1.00 50.34 C ATOM 123 CG2 VAL A 9 2.413 -9.999 10.597 1.00 74.52 C ATOM 0 H VAL A 9 2.588 -9.941 7.826 1.00 61.23 H new ATOM 0 HA VAL A 9 0.362 -11.158 9.178 1.00 70.12 H new ATOM 0 HB VAL A 9 1.617 -8.387 9.428 1.00 51.52 H new ATOM 0 HG11 VAL A 9 0.551 -8.301 11.645 1.00 50.34 H new ATOM 0 HG12 VAL A 9 -0.649 -8.408 10.335 1.00 50.34 H new ATOM 0 HG13 VAL A 9 -0.264 -9.847 11.309 1.00 50.34 H new ATOM 0 HG21 VAL A 9 2.784 -9.351 11.391 1.00 74.52 H new ATOM 0 HG22 VAL A 9 2.068 -10.939 11.028 1.00 74.52 H new ATOM 0 HG23 VAL A 9 3.215 -10.198 9.887 1.00 74.52 H new ATOM 133 N LEU A 10 -0.184 -8.697 7.055 1.00 54.20 N ATOM 134 CA LEU A 10 -1.236 -8.066 6.254 1.00 44.33 C ATOM 135 C LEU A 10 -1.988 -9.123 5.431 1.00 14.01 C ATOM 136 O LEU A 10 -3.219 -9.090 5.322 1.00 61.43 O ATOM 137 CB LEU A 10 -0.638 -6.993 5.330 1.00 25.55 C ATOM 138 CG LEU A 10 -1.663 -6.189 4.510 1.00 51.34 C ATOM 139 CD1 LEU A 10 -2.608 -5.421 5.431 1.00 41.00 C ATOM 140 CD2 LEU A 10 -0.964 -5.239 3.539 1.00 44.41 C ATOM 0 H LEU A 10 0.765 -8.434 6.790 1.00 54.20 H new ATOM 0 HA LEU A 10 -1.943 -7.584 6.930 1.00 44.33 H new ATOM 0 HB2 LEU A 10 -0.056 -6.298 5.936 1.00 25.55 H new ATOM 0 HB3 LEU A 10 0.056 -7.475 4.642 1.00 25.55 H new ATOM 0 HG LEU A 10 -2.253 -6.894 3.925 1.00 51.34 H new ATOM 0 HD11 LEU A 10 -3.324 -4.860 4.831 1.00 41.00 H new ATOM 0 HD12 LEU A 10 -3.142 -6.123 6.071 1.00 41.00 H new ATOM 0 HD13 LEU A 10 -2.033 -4.731 6.049 1.00 41.00 H new ATOM 0 HD21 LEU A 10 -1.711 -4.683 2.972 1.00 44.41 H new ATOM 0 HD22 LEU A 10 -0.340 -4.542 4.098 1.00 44.41 H new ATOM 0 HD23 LEU A 10 -0.341 -5.813 2.853 1.00 44.41 H new ATOM 152 N LYS A 11 -1.239 -10.072 4.867 1.00 24.51 N ATOM 153 CA LYS A 11 -1.834 -11.182 4.115 1.00 3.25 C ATOM 154 C LYS A 11 -2.726 -12.047 5.014 1.00 43.03 C ATOM 155 O LYS A 11 -3.839 -12.421 4.629 1.00 12.25 O ATOM 156 CB LYS A 11 -0.749 -12.065 3.482 1.00 55.51 C ATOM 157 CG LYS A 11 -1.331 -13.207 2.653 1.00 64.42 C ATOM 158 CD LYS A 11 -0.293 -14.260 2.276 1.00 4.04 C ATOM 159 CE LYS A 11 -0.961 -15.467 1.628 1.00 51.51 C ATOM 160 NZ LYS A 11 -0.024 -16.595 1.401 1.00 21.12 N ATOM 0 H LYS A 11 -0.220 -10.096 4.916 1.00 24.51 H new ATOM 0 HA LYS A 11 -2.444 -10.742 3.326 1.00 3.25 H new ATOM 0 HB2 LYS A 11 -0.110 -11.450 2.848 1.00 55.51 H new ATOM 0 HB3 LYS A 11 -0.117 -12.477 4.268 1.00 55.51 H new ATOM 0 HG2 LYS A 11 -2.135 -13.683 3.214 1.00 64.42 H new ATOM 0 HG3 LYS A 11 -1.774 -12.800 1.744 1.00 64.42 H new ATOM 0 HD2 LYS A 11 0.436 -13.830 1.590 1.00 4.04 H new ATOM 0 HD3 LYS A 11 0.253 -14.574 3.165 1.00 4.04 H new ATOM 0 HE2 LYS A 11 -1.781 -15.805 2.261 1.00 51.51 H new ATOM 0 HE3 LYS A 11 -1.397 -15.166 0.675 1.00 51.51 H new ATOM 0 HZ1 LYS A 11 -0.145 -16.957 0.434 1.00 21.12 H new ATOM 0 HZ2 LYS A 11 0.954 -16.265 1.528 1.00 21.12 H new ATOM 0 HZ3 LYS A 11 -0.224 -17.355 2.082 1.00 21.12 H new ATOM 174 N SER A 12 -2.240 -12.359 6.218 1.00 24.45 N ATOM 175 CA SER A 12 -2.994 -13.204 7.147 1.00 23.12 C ATOM 176 C SER A 12 -4.324 -12.547 7.490 1.00 14.12 C ATOM 177 O SER A 12 -5.351 -13.200 7.529 1.00 60.34 O ATOM 178 CB SER A 12 -2.203 -13.481 8.434 1.00 14.31 C ATOM 179 OG SER A 12 -2.009 -12.296 9.189 1.00 73.43 O ATOM 0 H SER A 12 -1.336 -12.043 6.570 1.00 24.45 H new ATOM 0 HA SER A 12 -3.174 -14.158 6.652 1.00 23.12 H new ATOM 0 HB2 SER A 12 -2.735 -14.216 9.038 1.00 14.31 H new ATOM 0 HB3 SER A 12 -1.236 -13.916 8.182 1.00 14.31 H new ATOM 0 HG SER A 12 -1.917 -11.532 8.582 1.00 73.43 H new ATOM 185 N ARG A 13 -4.300 -11.243 7.718 1.00 41.02 N ATOM 186 CA ARG A 13 -5.524 -10.487 7.999 1.00 10.24 C ATOM 187 C ARG A 13 -6.478 -10.461 6.797 1.00 12.13 C ATOM 188 O ARG A 13 -7.692 -10.570 6.957 1.00 21.31 O ATOM 189 CB ARG A 13 -5.174 -9.058 8.400 1.00 0.11 C ATOM 190 CG ARG A 13 -4.435 -8.953 9.721 1.00 72.32 C ATOM 191 CD ARG A 13 -3.953 -7.526 9.974 1.00 0.21 C ATOM 192 NE ARG A 13 -3.350 -7.371 11.292 1.00 33.31 N ATOM 193 CZ ARG A 13 -3.059 -6.221 11.838 1.00 21.53 C ATOM 194 NH1 ARG A 13 -3.289 -5.113 11.206 1.00 51.45 N ATOM 195 NH2 ARG A 13 -2.523 -6.178 13.015 1.00 14.33 N ATOM 0 H ARG A 13 -3.449 -10.680 7.715 1.00 41.02 H new ATOM 0 HA ARG A 13 -6.034 -10.992 8.819 1.00 10.24 H new ATOM 0 HB2 ARG A 13 -4.562 -8.611 7.616 1.00 0.11 H new ATOM 0 HB3 ARG A 13 -6.092 -8.473 8.461 1.00 0.11 H new ATOM 0 HG2 ARG A 13 -5.091 -9.267 10.533 1.00 72.32 H new ATOM 0 HG3 ARG A 13 -3.583 -9.632 9.719 1.00 72.32 H new ATOM 0 HD2 ARG A 13 -3.227 -7.249 9.210 1.00 0.21 H new ATOM 0 HD3 ARG A 13 -4.794 -6.839 9.878 1.00 0.21 H new ATOM 0 HE ARG A 13 -3.142 -8.217 11.823 1.00 33.31 H new ATOM 0 HH11 ARG A 13 -3.701 -5.134 10.273 1.00 51.45 H new ATOM 0 HH12 ARG A 13 -3.058 -4.220 11.642 1.00 51.45 H new ATOM 0 HH21 ARG A 13 -2.327 -7.043 13.518 1.00 14.33 H new ATOM 0 HH22 ARG A 13 -2.296 -5.279 13.440 1.00 14.33 H new ATOM 209 N LEU A 14 -5.925 -10.302 5.600 1.00 30.41 N ATOM 210 CA LEU A 14 -6.729 -10.241 4.379 1.00 14.14 C ATOM 211 C LEU A 14 -7.545 -11.535 4.188 1.00 42.33 C ATOM 212 O LEU A 14 -8.769 -11.496 4.052 1.00 32.14 O ATOM 213 CB LEU A 14 -5.812 -9.985 3.166 1.00 32.13 C ATOM 214 CG LEU A 14 -6.469 -9.283 1.959 1.00 23.52 C ATOM 215 CD1 LEU A 14 -5.418 -8.902 0.921 1.00 1.53 C ATOM 216 CD2 LEU A 14 -7.551 -10.154 1.319 1.00 61.10 C ATOM 0 H LEU A 14 -4.921 -10.213 5.446 1.00 30.41 H new ATOM 0 HA LEU A 14 -7.437 -9.417 4.467 1.00 14.14 H new ATOM 0 HB2 LEU A 14 -4.966 -9.382 3.496 1.00 32.13 H new ATOM 0 HB3 LEU A 14 -5.410 -10.941 2.831 1.00 32.13 H new ATOM 0 HG LEU A 14 -6.946 -8.376 2.330 1.00 23.52 H new ATOM 0 HD11 LEU A 14 -5.901 -8.408 0.078 1.00 1.53 H new ATOM 0 HD12 LEU A 14 -4.692 -8.225 1.370 1.00 1.53 H new ATOM 0 HD13 LEU A 14 -4.909 -9.800 0.572 1.00 1.53 H new ATOM 0 HD21 LEU A 14 -7.990 -9.626 0.473 1.00 61.10 H new ATOM 0 HD22 LEU A 14 -7.109 -11.088 0.973 1.00 61.10 H new ATOM 0 HD23 LEU A 14 -8.326 -10.370 2.054 1.00 61.10 H new ATOM 228 N GLU A 15 -6.862 -12.676 4.181 1.00 62.30 N ATOM 229 CA GLU A 15 -7.521 -13.966 3.942 1.00 41.22 C ATOM 230 C GLU A 15 -8.068 -14.593 5.240 1.00 3.43 C ATOM 231 O GLU A 15 -9.210 -15.057 5.288 1.00 71.41 O ATOM 232 CB GLU A 15 -6.540 -14.942 3.274 1.00 3.02 C ATOM 233 CG GLU A 15 -5.855 -14.380 2.030 1.00 11.14 C ATOM 234 CD GLU A 15 -5.005 -15.413 1.305 1.00 62.15 C ATOM 235 OE1 GLU A 15 -4.010 -15.891 1.890 1.00 61.02 O ATOM 236 OE2 GLU A 15 -5.339 -15.759 0.151 1.00 50.32 O ATOM 0 H GLU A 15 -5.856 -12.739 4.337 1.00 62.30 H new ATOM 0 HA GLU A 15 -8.368 -13.777 3.283 1.00 41.22 H new ATOM 0 HB2 GLU A 15 -5.777 -15.227 3.999 1.00 3.02 H new ATOM 0 HB3 GLU A 15 -7.077 -15.851 3.002 1.00 3.02 H new ATOM 0 HG2 GLU A 15 -6.612 -13.996 1.347 1.00 11.14 H new ATOM 0 HG3 GLU A 15 -5.227 -13.537 2.317 1.00 11.14 H new ATOM 243 N TRP A 16 -7.247 -14.592 6.286 1.00 33.40 N ATOM 244 CA TRP A 16 -7.552 -15.305 7.541 1.00 4.31 C ATOM 245 C TRP A 16 -8.175 -14.384 8.607 1.00 54.24 C ATOM 246 O TRP A 16 -9.033 -14.804 9.385 1.00 75.11 O ATOM 247 CB TRP A 16 -6.259 -15.923 8.096 1.00 22.14 C ATOM 248 CG TRP A 16 -5.510 -16.740 7.082 1.00 13.42 C ATOM 249 CD1 TRP A 16 -4.707 -16.265 6.083 1.00 34.44 C ATOM 250 CD2 TRP A 16 -5.492 -18.164 6.964 1.00 72.32 C ATOM 251 NE1 TRP A 16 -4.198 -17.305 5.349 1.00 21.33 N ATOM 252 CE2 TRP A 16 -4.662 -18.484 5.872 1.00 51.02 C ATOM 253 CE3 TRP A 16 -6.095 -19.201 7.677 1.00 34.53 C ATOM 254 CZ2 TRP A 16 -4.424 -19.796 5.478 1.00 61.23 C ATOM 255 CZ3 TRP A 16 -5.860 -20.503 7.284 1.00 64.41 C ATOM 256 CH2 TRP A 16 -5.029 -20.791 6.194 1.00 31.12 C ATOM 0 H TRP A 16 -6.353 -14.102 6.297 1.00 33.40 H new ATOM 0 HA TRP A 16 -8.285 -16.078 7.310 1.00 4.31 H new ATOM 0 HB2 TRP A 16 -5.611 -15.126 8.461 1.00 22.14 H new ATOM 0 HB3 TRP A 16 -6.503 -16.553 8.952 1.00 22.14 H new ATOM 0 HD1 TRP A 16 -4.503 -15.221 5.898 1.00 34.44 H new ATOM 0 HE1 TRP A 16 -3.576 -17.216 4.545 1.00 21.33 H new ATOM 0 HE3 TRP A 16 -6.734 -18.989 8.521 1.00 34.53 H new ATOM 0 HZ2 TRP A 16 -3.785 -20.021 4.637 1.00 61.23 H new ATOM 0 HZ3 TRP A 16 -6.325 -21.313 7.826 1.00 64.41 H new ATOM 0 HH2 TRP A 16 -4.863 -21.821 5.913 1.00 31.12 H new ATOM 267 N GLY A 17 -7.721 -13.137 8.647 1.00 33.12 N ATOM 268 CA GLY A 17 -8.186 -12.178 9.643 1.00 12.14 C ATOM 269 C GLY A 17 -9.497 -11.507 9.249 1.00 32.30 C ATOM 270 O GLY A 17 -10.483 -12.174 8.932 1.00 51.21 O ATOM 0 H GLY A 17 -7.028 -12.765 7.998 1.00 33.12 H new ATOM 0 HA2 GLY A 17 -8.316 -12.687 10.598 1.00 12.14 H new ATOM 0 HA3 GLY A 17 -7.422 -11.415 9.790 1.00 12.14 H new ATOM 274 N GLU A 18 -9.504 -10.180 9.282 1.00 3.50 N ATOM 275 CA GLU A 18 -10.625 -9.388 8.771 1.00 44.11 C ATOM 276 C GLU A 18 -10.093 -8.100 8.125 1.00 61.22 C ATOM 277 O GLU A 18 -9.582 -7.218 8.816 1.00 73.24 O ATOM 278 CB GLU A 18 -11.617 -9.055 9.893 1.00 61.33 C ATOM 279 CG GLU A 18 -12.895 -8.376 9.407 1.00 21.25 C ATOM 280 CD GLU A 18 -13.718 -9.250 8.467 1.00 33.23 C ATOM 281 OE1 GLU A 18 -14.257 -10.279 8.924 1.00 40.35 O ATOM 282 OE2 GLU A 18 -13.844 -8.903 7.269 1.00 34.53 O ATOM 0 H GLU A 18 -8.739 -9.621 9.661 1.00 3.50 H new ATOM 0 HA GLU A 18 -11.155 -9.974 8.020 1.00 44.11 H new ATOM 0 HB2 GLU A 18 -11.882 -9.974 10.415 1.00 61.33 H new ATOM 0 HB3 GLU A 18 -11.126 -8.406 10.618 1.00 61.33 H new ATOM 0 HG2 GLU A 18 -13.505 -8.105 10.269 1.00 21.25 H new ATOM 0 HG3 GLU A 18 -12.635 -7.449 8.896 1.00 21.25 H new ATOM 289 N PRO A 19 -10.187 -7.986 6.786 1.00 12.53 N ATOM 290 CA PRO A 19 -9.566 -6.884 6.033 1.00 75.24 C ATOM 291 C PRO A 19 -10.008 -5.479 6.490 1.00 70.23 C ATOM 292 O PRO A 19 -9.390 -4.892 7.378 1.00 63.10 O ATOM 293 CB PRO A 19 -9.981 -7.161 4.575 1.00 13.20 C ATOM 294 CG PRO A 19 -10.308 -8.618 4.551 1.00 4.21 C ATOM 295 CD PRO A 19 -10.901 -8.919 5.900 1.00 5.22 C ATOM 0 HA PRO A 19 -8.487 -6.865 6.186 1.00 75.24 H new ATOM 0 HB2 PRO A 19 -10.840 -6.556 4.285 1.00 13.20 H new ATOM 0 HB3 PRO A 19 -9.175 -6.923 3.881 1.00 13.20 H new ATOM 0 HG2 PRO A 19 -11.013 -8.849 3.752 1.00 4.21 H new ATOM 0 HG3 PRO A 19 -9.416 -9.218 4.372 1.00 4.21 H new ATOM 0 HD2 PRO A 19 -11.977 -8.748 5.916 1.00 5.22 H new ATOM 0 HD3 PRO A 19 -10.739 -9.957 6.191 1.00 5.22 H new ATOM 303 N ALA A 20 -11.068 -4.941 5.876 1.00 73.20 N ATOM 304 CA ALA A 20 -11.541 -3.573 6.163 1.00 31.24 C ATOM 305 C ALA A 20 -10.420 -2.513 6.063 1.00 42.43 C ATOM 306 O ALA A 20 -10.604 -1.373 6.480 1.00 42.01 O ATOM 307 CB ALA A 20 -12.202 -3.515 7.539 1.00 34.01 C ATOM 0 H ALA A 20 -11.620 -5.432 5.173 1.00 73.20 H new ATOM 0 HA ALA A 20 -12.275 -3.329 5.395 1.00 31.24 H new ATOM 0 HB1 ALA A 20 -12.545 -2.499 7.735 1.00 34.01 H new ATOM 0 HB2 ALA A 20 -13.052 -4.196 7.563 1.00 34.01 H new ATOM 0 HB3 ALA A 20 -11.481 -3.808 8.302 1.00 34.01 H new ATOM 313 N PHE A 21 -9.267 -2.887 5.507 1.00 51.25 N ATOM 314 CA PHE A 21 -8.138 -1.962 5.363 1.00 25.32 C ATOM 315 C PHE A 21 -7.884 -1.610 3.887 1.00 20.43 C ATOM 316 O PHE A 21 -8.152 -2.405 2.987 1.00 41.42 O ATOM 317 CB PHE A 21 -6.866 -2.528 6.038 1.00 21.43 C ATOM 318 CG PHE A 21 -6.565 -3.990 5.763 1.00 22.51 C ATOM 319 CD1 PHE A 21 -6.558 -4.488 4.467 1.00 35.11 C ATOM 320 CD2 PHE A 21 -6.280 -4.868 6.811 1.00 62.20 C ATOM 321 CE1 PHE A 21 -6.280 -5.818 4.219 1.00 2.21 C ATOM 322 CE2 PHE A 21 -6.002 -6.197 6.561 1.00 53.31 C ATOM 323 CZ PHE A 21 -6.000 -6.672 5.265 1.00 60.24 C ATOM 0 H PHE A 21 -9.089 -3.825 5.148 1.00 51.25 H new ATOM 0 HA PHE A 21 -8.400 -1.036 5.875 1.00 25.32 H new ATOM 0 HB2 PHE A 21 -6.011 -1.934 5.714 1.00 21.43 H new ATOM 0 HB3 PHE A 21 -6.959 -2.392 7.116 1.00 21.43 H new ATOM 0 HD1 PHE A 21 -6.773 -3.826 3.641 1.00 35.11 H new ATOM 0 HD2 PHE A 21 -6.277 -4.504 7.828 1.00 62.20 H new ATOM 0 HE1 PHE A 21 -6.282 -6.190 3.205 1.00 2.21 H new ATOM 0 HE2 PHE A 21 -5.786 -6.866 7.381 1.00 53.31 H new ATOM 0 HZ PHE A 21 -5.779 -7.711 5.070 1.00 60.24 H new ATOM 333 N THR A 22 -7.374 -0.406 3.650 1.00 75.33 N ATOM 334 CA THR A 22 -7.162 0.098 2.285 1.00 33.15 C ATOM 335 C THR A 22 -5.693 -0.014 1.853 1.00 0.24 C ATOM 336 O THR A 22 -4.816 0.615 2.440 1.00 32.31 O ATOM 337 CB THR A 22 -7.609 1.576 2.165 1.00 53.24 C ATOM 338 OG1 THR A 22 -8.980 1.712 2.571 1.00 13.40 O ATOM 339 CG2 THR A 22 -7.453 2.091 0.739 1.00 72.10 C ATOM 0 H THR A 22 -7.097 0.246 4.384 1.00 75.33 H new ATOM 0 HA THR A 22 -7.768 -0.525 1.627 1.00 33.15 H new ATOM 0 HB THR A 22 -6.969 2.169 2.819 1.00 53.24 H new ATOM 0 HG1 THR A 22 -9.348 2.544 2.206 1.00 13.40 H new ATOM 0 HG21 THR A 22 -7.776 3.131 0.690 1.00 72.10 H new ATOM 0 HG22 THR A 22 -6.407 2.021 0.439 1.00 72.10 H new ATOM 0 HG23 THR A 22 -8.064 1.490 0.066 1.00 72.10 H new ATOM 347 N ILE A 23 -5.431 -0.815 0.821 1.00 13.34 N ATOM 348 CA ILE A 23 -4.067 -0.983 0.294 1.00 34.33 C ATOM 349 C ILE A 23 -3.781 0.029 -0.834 1.00 55.52 C ATOM 350 O ILE A 23 -4.508 0.082 -1.830 1.00 72.14 O ATOM 351 CB ILE A 23 -3.821 -2.421 -0.251 1.00 42.30 C ATOM 352 CG1 ILE A 23 -4.061 -3.491 0.835 1.00 4.45 C ATOM 353 CG2 ILE A 23 -2.403 -2.545 -0.808 1.00 24.43 C ATOM 354 CD1 ILE A 23 -5.521 -3.743 1.153 1.00 44.52 C ATOM 0 H ILE A 23 -6.140 -1.359 0.330 1.00 13.34 H new ATOM 0 HA ILE A 23 -3.392 -0.806 1.131 1.00 34.33 H new ATOM 0 HB ILE A 23 -4.537 -2.595 -1.054 1.00 42.30 H new ATOM 0 HG12 ILE A 23 -3.605 -4.427 0.513 1.00 4.45 H new ATOM 0 HG13 ILE A 23 -3.550 -3.185 1.748 1.00 4.45 H new ATOM 0 HG21 ILE A 23 -2.247 -3.556 -1.185 1.00 24.43 H new ATOM 0 HG22 ILE A 23 -2.267 -1.830 -1.620 1.00 24.43 H new ATOM 0 HG23 ILE A 23 -1.682 -2.337 -0.017 1.00 24.43 H new ATOM 0 HD11 ILE A 23 -5.598 -4.508 1.925 1.00 44.52 H new ATOM 0 HD12 ILE A 23 -5.980 -2.821 1.509 1.00 44.52 H new ATOM 0 HD13 ILE A 23 -6.036 -4.082 0.254 1.00 44.52 H new ATOM 366 N LEU A 24 -2.719 0.824 -0.683 1.00 45.35 N ATOM 367 CA LEU A 24 -2.362 1.843 -1.687 1.00 2.24 C ATOM 368 C LEU A 24 -1.056 1.499 -2.424 1.00 55.13 C ATOM 369 O LEU A 24 -0.017 1.266 -1.802 1.00 43.24 O ATOM 370 CB LEU A 24 -2.234 3.228 -1.031 1.00 12.15 C ATOM 371 CG LEU A 24 -3.501 3.752 -0.336 1.00 43.44 C ATOM 372 CD1 LEU A 24 -3.294 5.180 0.158 1.00 40.24 C ATOM 373 CD2 LEU A 24 -4.705 3.669 -1.269 1.00 64.33 C ATOM 0 H LEU A 24 -2.090 0.786 0.119 1.00 45.35 H new ATOM 0 HA LEU A 24 -3.168 1.859 -2.421 1.00 2.24 H new ATOM 0 HB2 LEU A 24 -1.428 3.190 -0.298 1.00 12.15 H new ATOM 0 HB3 LEU A 24 -1.937 3.946 -1.795 1.00 12.15 H new ATOM 0 HG LEU A 24 -3.701 3.119 0.529 1.00 43.44 H new ATOM 0 HD11 LEU A 24 -4.203 5.531 0.647 1.00 40.24 H new ATOM 0 HD12 LEU A 24 -2.468 5.203 0.869 1.00 40.24 H new ATOM 0 HD13 LEU A 24 -3.063 5.828 -0.688 1.00 40.24 H new ATOM 0 HD21 LEU A 24 -5.590 4.045 -0.756 1.00 64.33 H new ATOM 0 HD22 LEU A 24 -4.518 4.271 -2.158 1.00 64.33 H new ATOM 0 HD23 LEU A 24 -4.868 2.632 -1.561 1.00 64.33 H new ATOM 385 N ASP A 25 -1.125 1.478 -3.757 1.00 23.31 N ATOM 386 CA ASP A 25 0.045 1.217 -4.603 1.00 12.40 C ATOM 387 C ASP A 25 0.777 2.530 -4.932 1.00 44.03 C ATOM 388 O ASP A 25 0.389 3.254 -5.851 1.00 23.11 O ATOM 389 CB ASP A 25 -0.400 0.527 -5.899 1.00 62.24 C ATOM 390 CG ASP A 25 0.746 -0.127 -6.655 1.00 71.40 C ATOM 391 OD1 ASP A 25 1.808 0.510 -6.838 1.00 31.14 O ATOM 392 OD2 ASP A 25 0.587 -1.292 -7.063 1.00 43.14 O ATOM 0 H ASP A 25 -1.986 1.640 -4.279 1.00 23.31 H new ATOM 0 HA ASP A 25 0.731 0.565 -4.062 1.00 12.40 H new ATOM 0 HB2 ASP A 25 -1.148 -0.229 -5.662 1.00 62.24 H new ATOM 0 HB3 ASP A 25 -0.882 1.260 -6.546 1.00 62.24 H new ATOM 397 N VAL A 26 1.837 2.831 -4.187 1.00 52.41 N ATOM 398 CA VAL A 26 2.537 4.112 -4.339 1.00 53.11 C ATOM 399 C VAL A 26 3.764 4.007 -5.257 1.00 41.34 C ATOM 400 O VAL A 26 4.523 4.966 -5.401 1.00 62.23 O ATOM 401 CB VAL A 26 2.948 4.683 -2.959 1.00 41.14 C ATOM 402 CG1 VAL A 26 1.702 4.972 -2.126 1.00 13.13 C ATOM 403 CG2 VAL A 26 3.890 3.723 -2.233 1.00 3.03 C ATOM 0 H VAL A 26 2.231 2.214 -3.477 1.00 52.41 H new ATOM 0 HA VAL A 26 1.834 4.797 -4.814 1.00 53.11 H new ATOM 0 HB VAL A 26 3.487 5.618 -3.109 1.00 41.14 H new ATOM 0 HG11 VAL A 26 1.997 5.373 -1.157 1.00 13.13 H new ATOM 0 HG12 VAL A 26 1.078 5.700 -2.645 1.00 13.13 H new ATOM 0 HG13 VAL A 26 1.140 4.050 -1.981 1.00 13.13 H new ATOM 0 HG21 VAL A 26 4.165 4.145 -1.266 1.00 3.03 H new ATOM 0 HG22 VAL A 26 3.389 2.767 -2.082 1.00 3.03 H new ATOM 0 HG23 VAL A 26 4.788 3.572 -2.832 1.00 3.03 H new ATOM 413 N ARG A 27 3.936 2.852 -5.906 1.00 0.12 N ATOM 414 CA ARG A 27 5.052 2.650 -6.839 1.00 12.31 C ATOM 415 C ARG A 27 4.883 3.525 -8.088 1.00 53.33 C ATOM 416 O ARG A 27 5.680 4.428 -8.351 1.00 2.32 O ATOM 417 CB ARG A 27 5.132 1.180 -7.267 1.00 74.41 C ATOM 418 CG ARG A 27 5.361 0.203 -6.122 1.00 65.42 C ATOM 419 CD ARG A 27 5.216 -1.244 -6.585 1.00 3.41 C ATOM 420 NE ARG A 27 3.895 -1.495 -7.132 1.00 11.23 N ATOM 421 CZ ARG A 27 3.610 -2.472 -7.936 1.00 70.33 C ATOM 422 NH1 ARG A 27 4.499 -3.364 -8.256 1.00 30.44 N ATOM 423 NH2 ARG A 27 2.427 -2.556 -8.422 1.00 51.41 N ATOM 0 H ARG A 27 3.321 2.045 -5.804 1.00 0.12 H new ATOM 0 HA ARG A 27 5.971 2.932 -6.325 1.00 12.31 H new ATOM 0 HB2 ARG A 27 4.207 0.912 -7.778 1.00 74.41 H new ATOM 0 HB3 ARG A 27 5.939 1.068 -7.991 1.00 74.41 H new ATOM 0 HG2 ARG A 27 6.357 0.355 -5.706 1.00 65.42 H new ATOM 0 HG3 ARG A 27 4.648 0.404 -5.323 1.00 65.42 H new ATOM 0 HD2 ARG A 27 5.972 -1.464 -7.339 1.00 3.41 H new ATOM 0 HD3 ARG A 27 5.398 -1.916 -5.746 1.00 3.41 H new ATOM 0 HE ARG A 27 3.141 -0.861 -6.867 1.00 11.23 H new ATOM 0 HH11 ARG A 27 5.442 -3.304 -7.873 1.00 30.44 H new ATOM 0 HH12 ARG A 27 4.253 -4.124 -8.890 1.00 30.44 H new ATOM 0 HH21 ARG A 27 1.724 -1.860 -8.175 1.00 51.41 H new ATOM 0 HH22 ARG A 27 2.189 -3.319 -9.056 1.00 51.41 H new ATOM 437 N ASP A 28 3.825 3.243 -8.842 1.00 53.25 N ATOM 438 CA ASP A 28 3.548 3.922 -10.110 1.00 2.23 C ATOM 439 C ASP A 28 2.234 3.411 -10.704 1.00 32.31 C ATOM 440 O ASP A 28 1.813 2.294 -10.413 1.00 5.04 O ATOM 441 CB ASP A 28 4.694 3.679 -11.104 1.00 24.12 C ATOM 442 CG ASP A 28 4.429 4.281 -12.468 1.00 44.11 C ATOM 443 OD1 ASP A 28 4.236 5.508 -12.557 1.00 25.33 O ATOM 444 OD2 ASP A 28 4.410 3.527 -13.459 1.00 51.04 O ATOM 0 H ASP A 28 3.133 2.537 -8.593 1.00 53.25 H new ATOM 0 HA ASP A 28 3.463 4.992 -9.920 1.00 2.23 H new ATOM 0 HB2 ASP A 28 5.614 4.100 -10.699 1.00 24.12 H new ATOM 0 HB3 ASP A 28 4.854 2.606 -11.211 1.00 24.12 H new ATOM 449 N ARG A 29 1.598 4.215 -11.544 1.00 23.42 N ATOM 450 CA ARG A 29 0.359 3.803 -12.200 1.00 12.23 C ATOM 451 C ARG A 29 0.606 2.619 -13.158 1.00 13.13 C ATOM 452 O ARG A 29 -0.154 1.642 -13.174 1.00 30.42 O ATOM 453 CB ARG A 29 -0.258 4.992 -12.948 1.00 34.35 C ATOM 454 CG ARG A 29 -1.521 4.641 -13.719 1.00 13.14 C ATOM 455 CD ARG A 29 -2.620 4.117 -12.801 1.00 40.14 C ATOM 456 NE ARG A 29 -3.811 3.707 -13.542 1.00 41.33 N ATOM 457 CZ ARG A 29 -4.104 2.469 -13.836 1.00 62.25 C ATOM 458 NH1 ARG A 29 -3.291 1.508 -13.535 1.00 52.11 N ATOM 459 NH2 ARG A 29 -5.204 2.194 -14.452 1.00 2.41 N ATOM 0 H ARG A 29 1.915 5.153 -11.789 1.00 23.42 H new ATOM 0 HA ARG A 29 -0.343 3.468 -11.436 1.00 12.23 H new ATOM 0 HB2 ARG A 29 -0.488 5.781 -12.232 1.00 34.35 H new ATOM 0 HB3 ARG A 29 0.480 5.396 -13.641 1.00 34.35 H new ATOM 0 HG2 ARG A 29 -1.880 5.523 -14.248 1.00 13.14 H new ATOM 0 HG3 ARG A 29 -1.289 3.889 -14.473 1.00 13.14 H new ATOM 0 HD2 ARG A 29 -2.240 3.270 -12.230 1.00 40.14 H new ATOM 0 HD3 ARG A 29 -2.890 4.891 -12.082 1.00 40.14 H new ATOM 0 HE ARG A 29 -4.455 4.435 -13.850 1.00 41.33 H new ATOM 0 HH11 ARG A 29 -2.411 1.714 -13.063 1.00 52.11 H new ATOM 0 HH12 ARG A 29 -3.531 0.545 -13.770 1.00 52.11 H new ATOM 0 HH21 ARG A 29 -5.845 2.944 -14.710 1.00 2.41 H new ATOM 0 HH22 ARG A 29 -5.432 1.227 -14.681 1.00 2.41 H new ATOM 473 N SER A 30 1.684 2.698 -13.938 1.00 24.31 N ATOM 474 CA SER A 30 2.041 1.626 -14.871 1.00 32.42 C ATOM 475 C SER A 30 2.648 0.430 -14.130 1.00 61.43 C ATOM 476 O SER A 30 2.377 -0.719 -14.473 1.00 12.31 O ATOM 477 CB SER A 30 3.015 2.130 -15.946 1.00 61.43 C ATOM 478 OG SER A 30 2.422 3.143 -16.744 1.00 32.01 O ATOM 0 H SER A 30 2.325 3.491 -13.943 1.00 24.31 H new ATOM 0 HA SER A 30 1.124 1.300 -15.361 1.00 32.42 H new ATOM 0 HB2 SER A 30 3.915 2.519 -15.471 1.00 61.43 H new ATOM 0 HB3 SER A 30 3.323 1.298 -16.580 1.00 61.43 H new ATOM 0 HG SER A 30 3.065 3.446 -17.419 1.00 32.01 H new ATOM 484 N THR A 31 3.467 0.700 -13.113 1.00 64.44 N ATOM 485 CA THR A 31 4.009 -0.371 -12.257 1.00 0.30 C ATOM 486 C THR A 31 2.875 -1.094 -11.511 1.00 60.24 C ATOM 487 O THR A 31 2.952 -2.296 -11.250 1.00 13.41 O ATOM 488 CB THR A 31 5.044 0.168 -11.235 1.00 62.55 C ATOM 489 OG1 THR A 31 6.079 0.887 -11.922 1.00 51.13 O ATOM 490 CG2 THR A 31 5.676 -0.966 -10.429 1.00 33.33 C ATOM 0 H THR A 31 3.771 1.640 -12.858 1.00 64.44 H new ATOM 0 HA THR A 31 4.520 -1.075 -12.914 1.00 0.30 H new ATOM 0 HB THR A 31 4.518 0.831 -10.548 1.00 62.55 H new ATOM 0 HG1 THR A 31 6.729 1.226 -11.271 1.00 51.13 H new ATOM 0 HG21 THR A 31 6.396 -0.553 -9.723 1.00 33.33 H new ATOM 0 HG22 THR A 31 4.899 -1.502 -9.884 1.00 33.33 H new ATOM 0 HG23 THR A 31 6.184 -1.654 -11.105 1.00 33.33 H new ATOM 498 N TYR A 32 1.820 -0.348 -11.174 1.00 62.05 N ATOM 499 CA TYR A 32 0.584 -0.940 -10.651 1.00 71.01 C ATOM 500 C TYR A 32 0.050 -1.993 -11.629 1.00 44.31 C ATOM 501 O TYR A 32 -0.284 -3.113 -11.239 1.00 72.22 O ATOM 502 CB TYR A 32 -0.476 0.152 -10.418 1.00 63.44 C ATOM 503 CG TYR A 32 -1.853 -0.377 -10.050 1.00 31.14 C ATOM 504 CD1 TYR A 32 -2.165 -0.717 -8.739 1.00 22.41 C ATOM 505 CD2 TYR A 32 -2.844 -0.530 -11.017 1.00 61.40 C ATOM 506 CE1 TYR A 32 -3.414 -1.197 -8.403 1.00 24.15 C ATOM 507 CE2 TYR A 32 -4.096 -1.009 -10.688 1.00 34.41 C ATOM 508 CZ TYR A 32 -4.376 -1.340 -9.379 1.00 32.34 C ATOM 509 OH TYR A 32 -5.622 -1.824 -9.047 1.00 41.51 O ATOM 0 H TYR A 32 1.796 0.669 -11.254 1.00 62.05 H new ATOM 0 HA TYR A 32 0.803 -1.422 -9.698 1.00 71.01 H new ATOM 0 HB2 TYR A 32 -0.130 0.813 -9.624 1.00 63.44 H new ATOM 0 HB3 TYR A 32 -0.562 0.756 -11.321 1.00 63.44 H new ATOM 0 HD1 TYR A 32 -1.416 -0.603 -7.969 1.00 22.41 H new ATOM 0 HD2 TYR A 32 -2.629 -0.269 -12.043 1.00 61.40 H new ATOM 0 HE1 TYR A 32 -3.637 -1.460 -7.379 1.00 24.15 H new ATOM 0 HE2 TYR A 32 -4.852 -1.124 -11.451 1.00 34.41 H new ATOM 0 HH TYR A 32 -5.770 -1.714 -8.084 1.00 41.51 H new ATOM 519 N ASN A 33 -0.019 -1.619 -12.906 1.00 73.54 N ATOM 520 CA ASN A 33 -0.421 -2.551 -13.967 1.00 13.21 C ATOM 521 C ASN A 33 0.567 -3.728 -14.091 1.00 31.31 C ATOM 522 O ASN A 33 0.154 -4.872 -14.251 1.00 15.41 O ATOM 523 CB ASN A 33 -0.534 -1.813 -15.306 1.00 33.21 C ATOM 524 CG ASN A 33 -1.576 -0.709 -15.271 1.00 55.42 C ATOM 525 OD1 ASN A 33 -2.569 -0.798 -14.556 1.00 75.41 O ATOM 526 ND2 ASN A 33 -1.362 0.340 -16.038 1.00 12.45 N ATOM 0 H ASN A 33 0.198 -0.678 -13.234 1.00 73.54 H new ATOM 0 HA ASN A 33 -1.395 -2.960 -13.699 1.00 13.21 H new ATOM 0 HB2 ASN A 33 0.435 -1.387 -15.566 1.00 33.21 H new ATOM 0 HB3 ASN A 33 -0.789 -2.526 -16.090 1.00 33.21 H new ATOM 0 HD21 ASN A 33 -2.032 1.109 -16.049 1.00 12.45 H new ATOM 0 HD22 ASN A 33 -0.526 0.383 -16.621 1.00 12.45 H new ATOM 533 N ASP A 34 1.869 -3.434 -14.005 1.00 52.43 N ATOM 534 CA ASP A 34 2.927 -4.452 -14.084 1.00 31.23 C ATOM 535 C ASP A 34 2.672 -5.600 -13.085 1.00 63.03 C ATOM 536 O ASP A 34 2.702 -6.775 -13.452 1.00 73.32 O ATOM 537 CB ASP A 34 4.278 -3.774 -13.791 1.00 32.33 C ATOM 538 CG ASP A 34 5.482 -4.664 -14.059 1.00 53.40 C ATOM 539 OD1 ASP A 34 5.776 -5.548 -13.230 1.00 54.05 O ATOM 540 OD2 ASP A 34 6.155 -4.466 -15.095 1.00 5.54 O ATOM 0 H ASP A 34 2.221 -2.485 -13.879 1.00 52.43 H new ATOM 0 HA ASP A 34 2.935 -4.888 -15.083 1.00 31.23 H new ATOM 0 HB2 ASP A 34 4.361 -2.873 -14.399 1.00 32.33 H new ATOM 0 HB3 ASP A 34 4.297 -3.458 -12.748 1.00 32.33 H new ATOM 545 N GLY A 35 2.376 -5.250 -11.836 1.00 64.22 N ATOM 546 CA GLY A 35 2.003 -6.255 -10.848 1.00 22.44 C ATOM 547 C GLY A 35 1.643 -5.642 -9.507 1.00 54.24 C ATOM 548 O GLY A 35 2.461 -4.964 -8.910 1.00 20.24 O ATOM 0 H GLY A 35 2.387 -4.291 -11.488 1.00 64.22 H new ATOM 0 HA2 GLY A 35 1.155 -6.830 -11.221 1.00 22.44 H new ATOM 0 HA3 GLY A 35 2.829 -6.954 -10.715 1.00 22.44 H new ATOM 552 N HIS A 36 0.426 -5.890 -9.027 1.00 13.33 N ATOM 553 CA HIS A 36 -0.076 -5.249 -7.800 1.00 13.32 C ATOM 554 C HIS A 36 -0.770 -6.255 -6.867 1.00 23.43 C ATOM 555 O HIS A 36 -1.109 -7.363 -7.275 1.00 31.13 O ATOM 556 CB HIS A 36 -1.057 -4.126 -8.171 1.00 61.12 C ATOM 557 CG HIS A 36 -2.251 -4.598 -8.954 1.00 34.50 C ATOM 558 ND1 HIS A 36 -2.268 -4.673 -10.330 1.00 33.25 N ATOM 559 CD2 HIS A 36 -3.477 -5.015 -8.548 1.00 71.14 C ATOM 560 CE1 HIS A 36 -3.443 -5.110 -10.736 1.00 73.10 C ATOM 561 NE2 HIS A 36 -4.195 -5.325 -9.675 1.00 72.03 N ATOM 0 H HIS A 36 -0.236 -6.530 -9.465 1.00 13.33 H new ATOM 0 HA HIS A 36 0.780 -4.839 -7.265 1.00 13.32 H new ATOM 0 HB2 HIS A 36 -1.402 -3.641 -7.258 1.00 61.12 H new ATOM 0 HB3 HIS A 36 -0.528 -3.371 -8.753 1.00 61.12 H new ATOM 0 HD1 HIS A 36 -1.489 -4.428 -10.941 1.00 33.25 H new ATOM 0 HD2 HIS A 36 -3.823 -5.089 -7.528 1.00 71.14 H new ATOM 0 HE1 HIS A 36 -3.739 -5.265 -11.763 1.00 73.10 H new ATOM 570 N ILE A 37 -0.990 -5.852 -5.617 1.00 33.04 N ATOM 571 CA ILE A 37 -1.749 -6.666 -4.660 1.00 10.31 C ATOM 572 C ILE A 37 -3.225 -6.783 -5.088 1.00 74.22 C ATOM 573 O ILE A 37 -3.802 -5.827 -5.613 1.00 0.14 O ATOM 574 CB ILE A 37 -1.664 -6.078 -3.222 1.00 43.22 C ATOM 575 CG1 ILE A 37 -0.217 -6.146 -2.701 1.00 74.24 C ATOM 576 CG2 ILE A 37 -2.616 -6.810 -2.271 1.00 22.33 C ATOM 577 CD1 ILE A 37 -0.034 -5.570 -1.310 1.00 64.24 C ATOM 0 H ILE A 37 -0.654 -4.966 -5.240 1.00 33.04 H new ATOM 0 HA ILE A 37 -1.301 -7.660 -4.654 1.00 10.31 H new ATOM 0 HB ILE A 37 -1.970 -5.033 -3.263 1.00 43.22 H new ATOM 0 HG12 ILE A 37 0.109 -7.186 -2.698 1.00 74.24 H new ATOM 0 HG13 ILE A 37 0.433 -5.611 -3.393 1.00 74.24 H new ATOM 0 HG21 ILE A 37 -2.536 -6.379 -1.273 1.00 22.33 H new ATOM 0 HG22 ILE A 37 -3.640 -6.706 -2.630 1.00 22.33 H new ATOM 0 HG23 ILE A 37 -2.350 -7.866 -2.232 1.00 22.33 H new ATOM 0 HD11 ILE A 37 1.012 -5.655 -1.016 1.00 64.24 H new ATOM 0 HD12 ILE A 37 -0.327 -4.520 -1.310 1.00 64.24 H new ATOM 0 HD13 ILE A 37 -0.656 -6.120 -0.604 1.00 64.24 H new ATOM 589 N MET A 38 -3.817 -7.958 -4.871 1.00 30.15 N ATOM 590 CA MET A 38 -5.206 -8.230 -5.270 1.00 72.03 C ATOM 591 C MET A 38 -6.178 -7.130 -4.796 1.00 24.20 C ATOM 592 O MET A 38 -6.454 -6.998 -3.602 1.00 24.51 O ATOM 593 CB MET A 38 -5.651 -9.585 -4.703 1.00 43.24 C ATOM 594 CG MET A 38 -7.027 -10.047 -5.177 1.00 30.13 C ATOM 595 SD MET A 38 -7.011 -10.757 -6.836 1.00 54.11 S ATOM 596 CE MET A 38 -5.897 -12.145 -6.618 1.00 23.52 C ATOM 0 H MET A 38 -3.354 -8.746 -4.417 1.00 30.15 H new ATOM 0 HA MET A 38 -5.234 -8.247 -6.359 1.00 72.03 H new ATOM 0 HB2 MET A 38 -4.914 -10.339 -4.977 1.00 43.24 H new ATOM 0 HB3 MET A 38 -5.656 -9.525 -3.615 1.00 43.24 H new ATOM 0 HG2 MET A 38 -7.415 -10.787 -4.477 1.00 30.13 H new ATOM 0 HG3 MET A 38 -7.713 -9.200 -5.159 1.00 30.13 H new ATOM 0 HE1 MET A 38 -6.043 -12.860 -7.428 1.00 23.52 H new ATOM 0 HE2 MET A 38 -4.867 -11.790 -6.629 1.00 23.52 H new ATOM 0 HE3 MET A 38 -6.103 -12.630 -5.664 1.00 23.52 H new ATOM 606 N GLY A 39 -6.684 -6.345 -5.743 1.00 13.01 N ATOM 607 CA GLY A 39 -7.677 -5.321 -5.434 1.00 21.10 C ATOM 608 C GLY A 39 -7.106 -4.072 -4.760 1.00 24.03 C ATOM 609 O GLY A 39 -7.834 -3.348 -4.076 1.00 61.24 O ATOM 0 H GLY A 39 -6.424 -6.398 -6.728 1.00 13.01 H new ATOM 0 HA2 GLY A 39 -8.176 -5.025 -6.357 1.00 21.10 H new ATOM 0 HA3 GLY A 39 -8.438 -5.754 -4.785 1.00 21.10 H new ATOM 613 N ALA A 40 -5.809 -3.818 -4.936 1.00 43.50 N ATOM 614 CA ALA A 40 -5.183 -2.601 -4.403 1.00 11.43 C ATOM 615 C ALA A 40 -5.583 -1.357 -5.213 1.00 0.41 C ATOM 616 O ALA A 40 -6.023 -1.458 -6.359 1.00 63.34 O ATOM 617 CB ALA A 40 -3.665 -2.747 -4.372 1.00 34.41 C ATOM 0 H ALA A 40 -5.171 -4.434 -5.441 1.00 43.50 H new ATOM 0 HA ALA A 40 -5.545 -2.466 -3.384 1.00 11.43 H new ATOM 0 HB1 ALA A 40 -3.220 -1.835 -3.974 1.00 34.41 H new ATOM 0 HB2 ALA A 40 -3.393 -3.590 -3.737 1.00 34.41 H new ATOM 0 HB3 ALA A 40 -3.295 -2.920 -5.383 1.00 34.41 H new ATOM 623 N MET A 41 -5.416 -0.181 -4.612 1.00 2.04 N ATOM 624 CA MET A 41 -5.799 1.082 -5.257 1.00 25.30 C ATOM 625 C MET A 41 -4.708 1.601 -6.196 1.00 23.10 C ATOM 626 O MET A 41 -3.518 1.541 -5.881 1.00 34.51 O ATOM 627 CB MET A 41 -6.093 2.145 -4.198 1.00 75.21 C ATOM 628 CG MET A 41 -7.225 1.766 -3.260 1.00 21.24 C ATOM 629 SD MET A 41 -8.839 1.787 -4.067 1.00 11.34 S ATOM 630 CE MET A 41 -9.089 3.550 -4.297 1.00 72.31 C ATOM 0 H MET A 41 -5.018 -0.072 -3.679 1.00 2.04 H new ATOM 0 HA MET A 41 -6.692 0.882 -5.849 1.00 25.30 H new ATOM 0 HB2 MET A 41 -5.191 2.323 -3.613 1.00 75.21 H new ATOM 0 HB3 MET A 41 -6.341 3.083 -4.695 1.00 75.21 H new ATOM 0 HG2 MET A 41 -7.039 0.771 -2.857 1.00 21.24 H new ATOM 0 HG3 MET A 41 -7.237 2.455 -2.416 1.00 21.24 H new ATOM 0 HE1 MET A 41 -10.142 3.745 -4.498 1.00 72.31 H new ATOM 0 HE2 MET A 41 -8.788 4.081 -3.394 1.00 72.31 H new ATOM 0 HE3 MET A 41 -8.489 3.896 -5.139 1.00 72.31 H new ATOM 640 N ALA A 42 -5.130 2.138 -7.337 1.00 2.42 N ATOM 641 CA ALA A 42 -4.200 2.759 -8.289 1.00 73.13 C ATOM 642 C ALA A 42 -3.859 4.179 -7.831 1.00 0.55 C ATOM 643 O ALA A 42 -4.251 5.166 -8.459 1.00 54.00 O ATOM 644 CB ALA A 42 -4.786 2.775 -9.700 1.00 4.32 C ATOM 0 H ALA A 42 -6.107 2.158 -7.629 1.00 2.42 H new ATOM 0 HA ALA A 42 -3.286 2.166 -8.317 1.00 73.13 H new ATOM 0 HB1 ALA A 42 -4.076 3.240 -10.384 1.00 4.32 H new ATOM 0 HB2 ALA A 42 -4.984 1.753 -10.023 1.00 4.32 H new ATOM 0 HB3 ALA A 42 -5.716 3.343 -9.701 1.00 4.32 H new ATOM 650 N MET A 43 -3.141 4.271 -6.719 1.00 63.13 N ATOM 651 CA MET A 43 -2.879 5.553 -6.062 1.00 42.33 C ATOM 652 C MET A 43 -1.363 5.802 -5.950 1.00 1.52 C ATOM 653 O MET A 43 -0.761 5.579 -4.899 1.00 33.23 O ATOM 654 CB MET A 43 -3.547 5.543 -4.675 1.00 65.21 C ATOM 655 CG MET A 43 -3.826 6.922 -4.113 1.00 63.21 C ATOM 656 SD MET A 43 -4.759 6.879 -2.572 1.00 52.41 S ATOM 657 CE MET A 43 -6.350 6.296 -3.155 1.00 33.03 C ATOM 0 H MET A 43 -2.725 3.468 -6.247 1.00 63.13 H new ATOM 0 HA MET A 43 -3.298 6.366 -6.655 1.00 42.33 H new ATOM 0 HB2 MET A 43 -4.485 4.992 -4.739 1.00 65.21 H new ATOM 0 HB3 MET A 43 -2.906 5.001 -3.979 1.00 65.21 H new ATOM 0 HG2 MET A 43 -2.881 7.438 -3.945 1.00 63.21 H new ATOM 0 HG3 MET A 43 -4.379 7.504 -4.850 1.00 63.21 H new ATOM 0 HE1 MET A 43 -7.117 6.531 -2.417 1.00 33.03 H new ATOM 0 HE2 MET A 43 -6.593 6.785 -4.099 1.00 33.03 H new ATOM 0 HE3 MET A 43 -6.309 5.217 -3.305 1.00 33.03 H new ATOM 667 N PRO A 44 -0.731 6.272 -7.047 1.00 3.21 N ATOM 668 CA PRO A 44 0.730 6.427 -7.114 1.00 61.43 C ATOM 669 C PRO A 44 1.236 7.579 -6.228 1.00 52.34 C ATOM 670 O PRO A 44 0.580 8.615 -6.104 1.00 3.43 O ATOM 671 CB PRO A 44 0.978 6.705 -8.608 1.00 10.54 C ATOM 672 CG PRO A 44 -0.275 7.359 -9.076 1.00 4.40 C ATOM 673 CD PRO A 44 -1.392 6.717 -8.292 1.00 43.02 C ATOM 0 HA PRO A 44 1.265 5.552 -6.743 1.00 61.43 H new ATOM 0 HB2 PRO A 44 1.843 7.353 -8.753 1.00 10.54 H new ATOM 0 HB3 PRO A 44 1.174 5.784 -9.156 1.00 10.54 H new ATOM 0 HG2 PRO A 44 -0.243 8.435 -8.902 1.00 4.40 H new ATOM 0 HG3 PRO A 44 -0.415 7.214 -10.147 1.00 4.40 H new ATOM 0 HD2 PRO A 44 -2.197 7.424 -8.088 1.00 43.02 H new ATOM 0 HD3 PRO A 44 -1.832 5.880 -8.834 1.00 43.02 H new ATOM 681 N ILE A 45 2.420 7.396 -5.638 1.00 5.03 N ATOM 682 CA ILE A 45 2.969 8.332 -4.639 1.00 52.50 C ATOM 683 C ILE A 45 2.944 9.802 -5.113 1.00 24.15 C ATOM 684 O ILE A 45 2.898 10.729 -4.303 1.00 64.30 O ATOM 685 CB ILE A 45 4.416 7.918 -4.264 1.00 55.34 C ATOM 686 CG1 ILE A 45 4.907 8.665 -3.012 1.00 74.34 C ATOM 687 CG2 ILE A 45 5.368 8.157 -5.435 1.00 0.10 C ATOM 688 CD1 ILE A 45 6.246 8.167 -2.500 1.00 4.24 C ATOM 0 H ILE A 45 3.027 6.600 -5.834 1.00 5.03 H new ATOM 0 HA ILE A 45 2.325 8.273 -3.761 1.00 52.50 H new ATOM 0 HB ILE A 45 4.405 6.852 -4.036 1.00 55.34 H new ATOM 0 HG12 ILE A 45 4.986 9.728 -3.240 1.00 74.34 H new ATOM 0 HG13 ILE A 45 4.163 8.563 -2.222 1.00 74.34 H new ATOM 0 HG21 ILE A 45 6.377 7.860 -5.150 1.00 0.10 H new ATOM 0 HG22 ILE A 45 5.045 7.567 -6.293 1.00 0.10 H new ATOM 0 HG23 ILE A 45 5.362 9.215 -5.699 1.00 0.10 H new ATOM 0 HD11 ILE A 45 6.532 8.737 -1.616 1.00 4.24 H new ATOM 0 HD12 ILE A 45 6.167 7.111 -2.241 1.00 4.24 H new ATOM 0 HD13 ILE A 45 7.002 8.295 -3.275 1.00 4.24 H new ATOM 700 N GLU A 46 2.964 10.000 -6.426 1.00 13.54 N ATOM 701 CA GLU A 46 2.920 11.341 -7.022 1.00 31.54 C ATOM 702 C GLU A 46 1.558 12.021 -6.789 1.00 41.23 C ATOM 703 O GLU A 46 1.487 13.170 -6.341 1.00 44.32 O ATOM 704 CB GLU A 46 3.205 11.230 -8.525 1.00 53.12 C ATOM 705 CG GLU A 46 4.478 10.449 -8.834 1.00 65.44 C ATOM 706 CD GLU A 46 4.687 10.203 -10.317 1.00 44.03 C ATOM 707 OE1 GLU A 46 5.111 11.136 -11.029 1.00 63.54 O ATOM 708 OE2 GLU A 46 4.451 9.064 -10.777 1.00 4.34 O ATOM 0 H GLU A 46 3.011 9.244 -7.109 1.00 13.54 H new ATOM 0 HA GLU A 46 3.679 11.959 -6.542 1.00 31.54 H new ATOM 0 HB2 GLU A 46 2.360 10.745 -9.015 1.00 53.12 H new ATOM 0 HB3 GLU A 46 3.288 12.231 -8.948 1.00 53.12 H new ATOM 0 HG2 GLU A 46 5.335 10.994 -8.439 1.00 65.44 H new ATOM 0 HG3 GLU A 46 4.443 9.491 -8.315 1.00 65.44 H new ATOM 715 N ASP A 47 0.477 11.301 -7.083 1.00 15.50 N ATOM 716 CA ASP A 47 -0.883 11.835 -6.928 1.00 22.14 C ATOM 717 C ASP A 47 -1.530 11.349 -5.619 1.00 31.33 C ATOM 718 O ASP A 47 -2.677 11.682 -5.320 1.00 23.32 O ATOM 719 CB ASP A 47 -1.745 11.415 -8.131 1.00 24.10 C ATOM 720 CG ASP A 47 -2.476 12.593 -8.753 1.00 43.23 C ATOM 721 OD1 ASP A 47 -1.827 13.394 -9.454 1.00 60.01 O ATOM 722 OD2 ASP A 47 -3.694 12.734 -8.534 1.00 2.31 O ATOM 0 H ASP A 47 0.513 10.343 -7.431 1.00 15.50 H new ATOM 0 HA ASP A 47 -0.820 12.922 -6.886 1.00 22.14 H new ATOM 0 HB2 ASP A 47 -1.112 10.945 -8.883 1.00 24.10 H new ATOM 0 HB3 ASP A 47 -2.471 10.667 -7.812 1.00 24.10 H new ATOM 727 N LEU A 48 -0.772 10.575 -4.848 1.00 71.14 N ATOM 728 CA LEU A 48 -1.261 9.941 -3.615 1.00 32.44 C ATOM 729 C LEU A 48 -2.070 10.894 -2.716 1.00 23.23 C ATOM 730 O LEU A 48 -3.219 10.611 -2.385 1.00 12.03 O ATOM 731 CB LEU A 48 -0.069 9.383 -2.828 1.00 4.04 C ATOM 732 CG LEU A 48 -0.410 8.704 -1.493 1.00 73.53 C ATOM 733 CD1 LEU A 48 -1.189 7.412 -1.726 1.00 53.31 C ATOM 734 CD2 LEU A 48 0.858 8.441 -0.687 1.00 34.30 C ATOM 0 H LEU A 48 0.204 10.365 -5.057 1.00 71.14 H new ATOM 0 HA LEU A 48 -1.940 9.143 -3.915 1.00 32.44 H new ATOM 0 HB2 LEU A 48 0.453 8.663 -3.458 1.00 4.04 H new ATOM 0 HB3 LEU A 48 0.627 10.199 -2.632 1.00 4.04 H new ATOM 0 HG LEU A 48 -1.044 9.378 -0.917 1.00 73.53 H new ATOM 0 HD11 LEU A 48 -1.420 6.948 -0.767 1.00 53.31 H new ATOM 0 HD12 LEU A 48 -2.116 7.636 -2.253 1.00 53.31 H new ATOM 0 HD13 LEU A 48 -0.588 6.728 -2.325 1.00 53.31 H new ATOM 0 HD21 LEU A 48 0.597 7.960 0.255 1.00 34.30 H new ATOM 0 HD22 LEU A 48 1.522 7.790 -1.255 1.00 34.30 H new ATOM 0 HD23 LEU A 48 1.363 9.386 -0.484 1.00 34.30 H new ATOM 746 N VAL A 49 -1.465 12.014 -2.324 1.00 64.14 N ATOM 747 CA VAL A 49 -2.119 12.978 -1.427 1.00 2.40 C ATOM 748 C VAL A 49 -3.506 13.394 -1.949 1.00 61.54 C ATOM 749 O VAL A 49 -4.502 13.314 -1.229 1.00 43.32 O ATOM 750 CB VAL A 49 -1.247 14.245 -1.224 1.00 53.22 C ATOM 751 CG1 VAL A 49 -1.966 15.270 -0.347 1.00 12.32 C ATOM 752 CG2 VAL A 49 0.111 13.878 -0.624 1.00 61.20 C ATOM 0 H VAL A 49 -0.523 12.280 -2.611 1.00 64.14 H new ATOM 0 HA VAL A 49 -2.243 12.473 -0.469 1.00 2.40 H new ATOM 0 HB VAL A 49 -1.078 14.697 -2.201 1.00 53.22 H new ATOM 0 HG11 VAL A 49 -1.333 16.148 -0.220 1.00 12.32 H new ATOM 0 HG12 VAL A 49 -2.902 15.563 -0.822 1.00 12.32 H new ATOM 0 HG13 VAL A 49 -2.176 14.831 0.628 1.00 12.32 H new ATOM 0 HG21 VAL A 49 0.706 14.782 -0.490 1.00 61.20 H new ATOM 0 HG22 VAL A 49 -0.037 13.395 0.342 1.00 61.20 H new ATOM 0 HG23 VAL A 49 0.633 13.196 -1.295 1.00 61.20 H new ATOM 762 N ASP A 50 -3.558 13.823 -3.205 1.00 23.34 N ATOM 763 CA ASP A 50 -4.813 14.250 -3.836 1.00 72.13 C ATOM 764 C ASP A 50 -5.819 13.088 -3.946 1.00 51.50 C ATOM 765 O ASP A 50 -6.967 13.197 -3.502 1.00 50.40 O ATOM 766 CB ASP A 50 -4.520 14.830 -5.222 1.00 10.10 C ATOM 767 CG ASP A 50 -3.578 16.017 -5.155 1.00 40.25 C ATOM 768 OD1 ASP A 50 -2.343 15.811 -5.212 1.00 63.01 O ATOM 769 OD2 ASP A 50 -4.068 17.162 -5.042 1.00 32.51 O ATOM 0 H ASP A 50 -2.743 13.886 -3.814 1.00 23.34 H new ATOM 0 HA ASP A 50 -5.266 15.016 -3.207 1.00 72.13 H new ATOM 0 HB2 ASP A 50 -4.084 14.056 -5.854 1.00 10.10 H new ATOM 0 HB3 ASP A 50 -5.455 15.135 -5.692 1.00 10.10 H new ATOM 774 N ARG A 51 -5.374 11.981 -4.540 1.00 44.41 N ATOM 775 CA ARG A 51 -6.205 10.779 -4.705 1.00 33.34 C ATOM 776 C ARG A 51 -6.810 10.316 -3.371 1.00 41.42 C ATOM 777 O ARG A 51 -8.025 10.149 -3.244 1.00 25.22 O ATOM 778 CB ARG A 51 -5.364 9.641 -5.304 1.00 51.41 C ATOM 779 CG ARG A 51 -4.863 9.913 -6.718 1.00 34.30 C ATOM 780 CD ARG A 51 -6.012 9.957 -7.717 1.00 31.22 C ATOM 781 NE ARG A 51 -5.888 11.081 -8.642 1.00 44.01 N ATOM 782 CZ ARG A 51 -6.883 11.835 -9.029 1.00 42.32 C ATOM 783 NH1 ARG A 51 -8.089 11.623 -8.594 1.00 61.10 N ATOM 784 NH2 ARG A 51 -6.667 12.812 -9.850 1.00 32.21 N ATOM 0 H ARG A 51 -4.432 11.888 -4.920 1.00 44.41 H new ATOM 0 HA ARG A 51 -7.023 11.035 -5.378 1.00 33.34 H new ATOM 0 HB2 ARG A 51 -4.507 9.457 -4.656 1.00 51.41 H new ATOM 0 HB3 ARG A 51 -5.960 8.728 -5.311 1.00 51.41 H new ATOM 0 HG2 ARG A 51 -4.325 10.861 -6.739 1.00 34.30 H new ATOM 0 HG3 ARG A 51 -4.155 9.138 -7.010 1.00 34.30 H new ATOM 0 HD2 ARG A 51 -6.039 9.024 -8.281 1.00 31.22 H new ATOM 0 HD3 ARG A 51 -6.957 10.032 -7.180 1.00 31.22 H new ATOM 0 HE ARG A 51 -4.961 11.292 -9.011 1.00 44.01 H new ATOM 0 HH11 ARG A 51 -8.269 10.860 -7.942 1.00 61.10 H new ATOM 0 HH12 ARG A 51 -8.856 12.220 -8.905 1.00 61.10 H new ATOM 0 HH21 ARG A 51 -5.723 12.991 -10.193 1.00 32.21 H new ATOM 0 HH22 ARG A 51 -7.441 13.403 -10.155 1.00 32.21 H new ATOM 798 N ALA A 52 -5.949 10.116 -2.381 1.00 24.04 N ATOM 799 CA ALA A 52 -6.366 9.639 -1.064 1.00 53.03 C ATOM 800 C ALA A 52 -7.267 10.652 -0.342 1.00 75.15 C ATOM 801 O ALA A 52 -8.289 10.286 0.222 1.00 75.12 O ATOM 802 CB ALA A 52 -5.141 9.311 -0.218 1.00 35.44 C ATOM 0 H ALA A 52 -4.946 10.278 -2.465 1.00 24.04 H new ATOM 0 HA ALA A 52 -6.956 8.734 -1.209 1.00 53.03 H new ATOM 0 HB1 ALA A 52 -5.460 8.956 0.762 1.00 35.44 H new ATOM 0 HB2 ALA A 52 -4.555 8.536 -0.712 1.00 35.44 H new ATOM 0 HB3 ALA A 52 -4.531 10.206 -0.099 1.00 35.44 H new ATOM 808 N SER A 53 -6.888 11.926 -0.359 1.00 3.31 N ATOM 809 CA SER A 53 -7.683 12.976 0.304 1.00 64.33 C ATOM 810 C SER A 53 -9.072 13.125 -0.341 1.00 3.21 C ATOM 811 O SER A 53 -10.036 13.533 0.312 1.00 24.01 O ATOM 812 CB SER A 53 -6.943 14.323 0.263 1.00 71.54 C ATOM 813 OG SER A 53 -7.669 15.340 0.939 1.00 22.23 O ATOM 0 H SER A 53 -6.043 12.264 -0.819 1.00 3.31 H new ATOM 0 HA SER A 53 -7.820 12.674 1.342 1.00 64.33 H new ATOM 0 HB2 SER A 53 -5.960 14.212 0.720 1.00 71.54 H new ATOM 0 HB3 SER A 53 -6.781 14.618 -0.774 1.00 71.54 H new ATOM 0 HG SER A 53 -7.170 16.182 0.895 1.00 22.23 H new ATOM 819 N SER A 54 -9.166 12.782 -1.625 1.00 12.33 N ATOM 820 CA SER A 54 -10.433 12.871 -2.371 1.00 14.22 C ATOM 821 C SER A 54 -11.289 11.601 -2.221 1.00 12.24 C ATOM 822 O SER A 54 -12.509 11.682 -2.060 1.00 63.32 O ATOM 823 CB SER A 54 -10.153 13.124 -3.860 1.00 32.40 C ATOM 824 OG SER A 54 -11.355 13.163 -4.615 1.00 35.40 O ATOM 0 H SER A 54 -8.380 12.438 -2.177 1.00 12.33 H new ATOM 0 HA SER A 54 -10.995 13.704 -1.949 1.00 14.22 H new ATOM 0 HB2 SER A 54 -9.618 14.067 -3.976 1.00 32.40 H new ATOM 0 HB3 SER A 54 -9.503 12.339 -4.248 1.00 32.40 H new ATOM 0 HG SER A 54 -11.144 13.327 -5.558 1.00 35.40 H new ATOM 830 N SER A 55 -10.654 10.429 -2.273 1.00 73.24 N ATOM 831 CA SER A 55 -11.385 9.147 -2.282 1.00 74.43 C ATOM 832 C SER A 55 -11.436 8.469 -0.901 1.00 55.23 C ATOM 833 O SER A 55 -12.320 7.653 -0.640 1.00 53.10 O ATOM 834 CB SER A 55 -10.747 8.181 -3.293 1.00 44.53 C ATOM 835 OG SER A 55 -10.781 8.710 -4.616 1.00 11.22 O ATOM 0 H SER A 55 -9.639 10.334 -2.310 1.00 73.24 H new ATOM 0 HA SER A 55 -12.410 9.381 -2.569 1.00 74.43 H new ATOM 0 HB2 SER A 55 -9.714 7.983 -3.006 1.00 44.53 H new ATOM 0 HB3 SER A 55 -11.274 7.227 -3.268 1.00 44.53 H new ATOM 0 HG SER A 55 -10.366 8.072 -5.234 1.00 11.22 H new ATOM 841 N LEU A 56 -10.500 8.804 -0.019 1.00 63.40 N ATOM 842 CA LEU A 56 -10.364 8.111 1.274 1.00 13.45 C ATOM 843 C LEU A 56 -10.628 9.038 2.473 1.00 22.14 C ATOM 844 O LEU A 56 -10.600 10.264 2.355 1.00 62.30 O ATOM 845 CB LEU A 56 -8.956 7.509 1.390 1.00 72.33 C ATOM 846 CG LEU A 56 -8.629 6.402 0.374 1.00 25.21 C ATOM 847 CD1 LEU A 56 -7.146 6.040 0.420 1.00 64.20 C ATOM 848 CD2 LEU A 56 -9.493 5.172 0.637 1.00 34.35 C ATOM 0 H LEU A 56 -9.821 9.550 -0.168 1.00 63.40 H new ATOM 0 HA LEU A 56 -11.118 7.324 1.300 1.00 13.45 H new ATOM 0 HB2 LEU A 56 -8.226 8.310 1.277 1.00 72.33 H new ATOM 0 HB3 LEU A 56 -8.833 7.105 2.395 1.00 72.33 H new ATOM 0 HG LEU A 56 -8.851 6.776 -0.625 1.00 25.21 H new ATOM 0 HD11 LEU A 56 -6.940 5.255 -0.308 1.00 64.20 H new ATOM 0 HD12 LEU A 56 -6.549 6.920 0.182 1.00 64.20 H new ATOM 0 HD13 LEU A 56 -6.889 5.686 1.418 1.00 64.20 H new ATOM 0 HD21 LEU A 56 -9.252 4.396 -0.089 1.00 34.35 H new ATOM 0 HD22 LEU A 56 -9.300 4.800 1.643 1.00 34.35 H new ATOM 0 HD23 LEU A 56 -10.545 5.440 0.545 1.00 34.35 H new ATOM 860 N GLU A 57 -10.890 8.434 3.633 1.00 21.31 N ATOM 861 CA GLU A 57 -11.069 9.173 4.886 1.00 64.22 C ATOM 862 C GLU A 57 -9.765 9.182 5.699 1.00 72.23 C ATOM 863 O GLU A 57 -9.016 8.206 5.687 1.00 54.04 O ATOM 864 CB GLU A 57 -12.193 8.527 5.710 1.00 4.03 C ATOM 865 CG GLU A 57 -12.552 9.295 6.975 1.00 64.04 C ATOM 866 CD GLU A 57 -13.650 8.625 7.789 1.00 14.35 C ATOM 867 OE1 GLU A 57 -14.753 8.407 7.245 1.00 71.12 O ATOM 868 OE2 GLU A 57 -13.416 8.312 8.973 1.00 51.23 O ATOM 0 H GLU A 57 -10.984 7.423 3.732 1.00 21.31 H new ATOM 0 HA GLU A 57 -11.337 10.203 4.650 1.00 64.22 H new ATOM 0 HB2 GLU A 57 -13.082 8.438 5.086 1.00 4.03 H new ATOM 0 HB3 GLU A 57 -11.894 7.515 5.984 1.00 4.03 H new ATOM 0 HG2 GLU A 57 -11.661 9.400 7.594 1.00 64.04 H new ATOM 0 HG3 GLU A 57 -12.872 10.301 6.704 1.00 64.04 H new ATOM 875 N LYS A 58 -9.501 10.269 6.423 1.00 73.35 N ATOM 876 CA LYS A 58 -8.270 10.387 7.221 1.00 44.33 C ATOM 877 C LYS A 58 -8.214 9.313 8.334 1.00 45.24 C ATOM 878 O LYS A 58 -7.132 8.927 8.807 1.00 51.31 O ATOM 879 CB LYS A 58 -8.169 11.800 7.826 1.00 50.23 C ATOM 880 CG LYS A 58 -8.246 12.928 6.787 1.00 11.41 C ATOM 881 CD LYS A 58 -7.034 12.947 5.854 1.00 4.23 C ATOM 882 CE LYS A 58 -7.243 13.862 4.649 1.00 64.42 C ATOM 883 NZ LYS A 58 -7.306 15.301 5.028 1.00 24.01 N ATOM 0 H LYS A 58 -10.117 11.080 6.477 1.00 73.35 H new ATOM 0 HA LYS A 58 -7.419 10.221 6.561 1.00 44.33 H new ATOM 0 HB2 LYS A 58 -8.972 11.932 8.552 1.00 50.23 H new ATOM 0 HB3 LYS A 58 -7.229 11.885 8.371 1.00 50.23 H new ATOM 0 HG2 LYS A 58 -9.154 12.812 6.196 1.00 11.41 H new ATOM 0 HG3 LYS A 58 -8.320 13.887 7.301 1.00 11.41 H new ATOM 0 HD2 LYS A 58 -6.156 13.277 6.410 1.00 4.23 H new ATOM 0 HD3 LYS A 58 -6.830 11.934 5.507 1.00 4.23 H new ATOM 0 HE2 LYS A 58 -6.430 13.712 3.938 1.00 64.42 H new ATOM 0 HE3 LYS A 58 -8.166 13.583 4.141 1.00 64.42 H new ATOM 0 HZ1 LYS A 58 -7.664 15.856 4.225 1.00 24.01 H new ATOM 0 HZ2 LYS A 58 -7.943 15.418 5.841 1.00 24.01 H new ATOM 0 HZ3 LYS A 58 -6.355 15.635 5.283 1.00 24.01 H new ATOM 897 N SER A 59 -9.385 8.822 8.736 1.00 73.14 N ATOM 898 CA SER A 59 -9.479 7.791 9.782 1.00 30.31 C ATOM 899 C SER A 59 -9.511 6.370 9.201 1.00 53.01 C ATOM 900 O SER A 59 -9.599 5.394 9.947 1.00 42.33 O ATOM 901 CB SER A 59 -10.723 8.013 10.652 1.00 0.42 C ATOM 902 OG SER A 59 -10.665 9.255 11.334 1.00 35.03 O ATOM 0 H SER A 59 -10.285 9.118 8.357 1.00 73.14 H new ATOM 0 HA SER A 59 -8.581 7.885 10.393 1.00 30.31 H new ATOM 0 HB2 SER A 59 -11.616 7.981 10.027 1.00 0.42 H new ATOM 0 HB3 SER A 59 -10.811 7.203 11.376 1.00 0.42 H new ATOM 0 HG SER A 59 -11.472 9.367 11.878 1.00 35.03 H new ATOM 908 N ARG A 60 -9.442 6.250 7.877 1.00 74.44 N ATOM 909 CA ARG A 60 -9.429 4.937 7.217 1.00 15.42 C ATOM 910 C ARG A 60 -8.084 4.222 7.433 1.00 11.42 C ATOM 911 O ARG A 60 -7.034 4.770 7.120 1.00 14.33 O ATOM 912 CB ARG A 60 -9.704 5.097 5.712 1.00 21.33 C ATOM 913 CG ARG A 60 -9.542 3.813 4.889 1.00 0.32 C ATOM 914 CD ARG A 60 -10.701 2.826 5.067 1.00 15.50 C ATOM 915 NE ARG A 60 -10.808 2.296 6.423 1.00 23.54 N ATOM 916 CZ ARG A 60 -11.643 1.353 6.775 1.00 32.31 C ATOM 917 NH1 ARG A 60 -12.415 0.792 5.900 1.00 32.44 N ATOM 918 NH2 ARG A 60 -11.699 0.959 8.003 1.00 44.33 N ATOM 0 H ARG A 60 -9.394 7.042 7.237 1.00 74.44 H new ATOM 0 HA ARG A 60 -10.215 4.327 7.662 1.00 15.42 H new ATOM 0 HB2 ARG A 60 -10.719 5.471 5.580 1.00 21.33 H new ATOM 0 HB3 ARG A 60 -9.031 5.855 5.312 1.00 21.33 H new ATOM 0 HG2 ARG A 60 -9.456 4.075 3.834 1.00 0.32 H new ATOM 0 HG3 ARG A 60 -8.611 3.323 5.173 1.00 0.32 H new ATOM 0 HD2 ARG A 60 -11.635 3.323 4.804 1.00 15.50 H new ATOM 0 HD3 ARG A 60 -10.573 1.998 4.370 1.00 15.50 H new ATOM 0 HE ARG A 60 -10.194 2.685 7.139 1.00 23.54 H new ATOM 0 HH11 ARG A 60 -12.376 1.084 4.924 1.00 32.44 H new ATOM 0 HH12 ARG A 60 -13.062 0.058 6.187 1.00 32.44 H new ATOM 0 HH21 ARG A 60 -11.091 1.383 8.703 1.00 44.33 H new ATOM 0 HH22 ARG A 60 -12.352 0.223 8.273 1.00 44.33 H new ATOM 932 N ASP A 61 -8.128 3.008 7.985 1.00 62.44 N ATOM 933 CA ASP A 61 -6.921 2.193 8.160 1.00 34.01 C ATOM 934 C ASP A 61 -6.271 1.853 6.809 1.00 23.33 C ATOM 935 O ASP A 61 -6.716 0.952 6.093 1.00 22.32 O ATOM 936 CB ASP A 61 -7.257 0.919 8.933 1.00 74.33 C ATOM 937 CG ASP A 61 -7.692 1.224 10.353 1.00 71.01 C ATOM 938 OD1 ASP A 61 -6.814 1.486 11.202 1.00 52.40 O ATOM 939 OD2 ASP A 61 -8.913 1.223 10.626 1.00 14.21 O ATOM 0 H ASP A 61 -8.985 2.567 8.319 1.00 62.44 H new ATOM 0 HA ASP A 61 -6.199 2.775 8.733 1.00 34.01 H new ATOM 0 HB2 ASP A 61 -8.051 0.379 8.417 1.00 74.33 H new ATOM 0 HB3 ASP A 61 -6.386 0.264 8.952 1.00 74.33 H new ATOM 944 N ILE A 62 -5.228 2.596 6.465 1.00 64.25 N ATOM 945 CA ILE A 62 -4.549 2.449 5.176 1.00 31.14 C ATOM 946 C ILE A 62 -3.181 1.756 5.304 1.00 11.00 C ATOM 947 O ILE A 62 -2.348 2.131 6.130 1.00 1.41 O ATOM 948 CB ILE A 62 -4.349 3.832 4.510 1.00 12.35 C ATOM 949 CG1 ILE A 62 -5.710 4.490 4.227 1.00 23.02 C ATOM 950 CG2 ILE A 62 -3.528 3.704 3.228 1.00 41.03 C ATOM 951 CD1 ILE A 62 -5.610 5.891 3.661 1.00 24.34 C ATOM 0 H ILE A 62 -4.827 3.316 7.066 1.00 64.25 H new ATOM 0 HA ILE A 62 -5.191 1.820 4.559 1.00 31.14 H new ATOM 0 HB ILE A 62 -3.795 4.470 5.199 1.00 12.35 H new ATOM 0 HG12 ILE A 62 -6.266 3.865 3.528 1.00 23.02 H new ATOM 0 HG13 ILE A 62 -6.286 4.523 5.152 1.00 23.02 H new ATOM 0 HG21 ILE A 62 -3.401 4.688 2.778 1.00 41.03 H new ATOM 0 HG22 ILE A 62 -2.550 3.283 3.463 1.00 41.03 H new ATOM 0 HG23 ILE A 62 -4.047 3.049 2.528 1.00 41.03 H new ATOM 0 HD11 ILE A 62 -6.611 6.286 3.489 1.00 24.34 H new ATOM 0 HD12 ILE A 62 -5.083 6.532 4.368 1.00 24.34 H new ATOM 0 HD13 ILE A 62 -5.063 5.864 2.718 1.00 24.34 H new ATOM 963 N TYR A 63 -2.961 0.743 4.471 1.00 43.44 N ATOM 964 CA TYR A 63 -1.657 0.087 4.359 1.00 21.22 C ATOM 965 C TYR A 63 -1.031 0.366 2.984 1.00 2.12 C ATOM 966 O TYR A 63 -1.587 0.010 1.943 1.00 43.12 O ATOM 967 CB TYR A 63 -1.785 -1.423 4.601 1.00 44.34 C ATOM 968 CG TYR A 63 -2.120 -1.775 6.041 1.00 53.54 C ATOM 969 CD1 TYR A 63 -1.128 -1.798 7.018 1.00 21.03 C ATOM 970 CD2 TYR A 63 -3.423 -2.077 6.426 1.00 1.22 C ATOM 971 CE1 TYR A 63 -1.424 -2.114 8.331 1.00 54.54 C ATOM 972 CE2 TYR A 63 -3.724 -2.393 7.738 1.00 53.44 C ATOM 973 CZ TYR A 63 -2.722 -2.411 8.685 1.00 64.43 C ATOM 974 OH TYR A 63 -3.019 -2.724 9.992 1.00 40.21 O ATOM 0 H TYR A 63 -3.676 0.353 3.856 1.00 43.44 H new ATOM 0 HA TYR A 63 -1.000 0.498 5.125 1.00 21.22 H new ATOM 0 HB2 TYR A 63 -2.559 -1.824 3.947 1.00 44.34 H new ATOM 0 HB3 TYR A 63 -0.850 -1.909 4.324 1.00 44.34 H new ATOM 0 HD1 TYR A 63 -0.109 -1.565 6.745 1.00 21.03 H new ATOM 0 HD2 TYR A 63 -4.212 -2.064 5.688 1.00 1.22 H new ATOM 0 HE1 TYR A 63 -0.642 -2.128 9.075 1.00 54.54 H new ATOM 0 HE2 TYR A 63 -4.740 -2.625 8.020 1.00 53.44 H new ATOM 0 HH TYR A 63 -3.978 -2.907 10.075 1.00 40.21 H new ATOM 984 N VAL A 64 0.127 1.008 2.997 1.00 31.33 N ATOM 985 CA VAL A 64 0.801 1.456 1.775 1.00 11.21 C ATOM 986 C VAL A 64 2.001 0.567 1.435 1.00 24.15 C ATOM 987 O VAL A 64 2.744 0.156 2.325 1.00 33.10 O ATOM 988 CB VAL A 64 1.290 2.916 1.952 1.00 0.04 C ATOM 989 CG1 VAL A 64 2.122 3.368 0.760 1.00 12.21 C ATOM 990 CG2 VAL A 64 0.104 3.852 2.174 1.00 50.11 C ATOM 0 H VAL A 64 0.632 1.236 3.854 1.00 31.33 H new ATOM 0 HA VAL A 64 0.082 1.393 0.958 1.00 11.21 H new ATOM 0 HB VAL A 64 1.930 2.954 2.834 1.00 0.04 H new ATOM 0 HG11 VAL A 64 2.450 4.396 0.914 1.00 12.21 H new ATOM 0 HG12 VAL A 64 2.993 2.721 0.658 1.00 12.21 H new ATOM 0 HG13 VAL A 64 1.519 3.312 -0.147 1.00 12.21 H new ATOM 0 HG21 VAL A 64 0.464 4.873 2.297 1.00 50.11 H new ATOM 0 HG22 VAL A 64 -0.564 3.804 1.314 1.00 50.11 H new ATOM 0 HG23 VAL A 64 -0.437 3.548 3.070 1.00 50.11 H new ATOM 1000 N TYR A 65 2.196 0.267 0.147 1.00 43.40 N ATOM 1001 CA TYR A 65 3.378 -0.484 -0.282 1.00 11.41 C ATOM 1002 C TYR A 65 4.042 0.142 -1.522 1.00 30.42 C ATOM 1003 O TYR A 65 3.387 0.455 -2.521 1.00 40.22 O ATOM 1004 CB TYR A 65 3.034 -1.965 -0.524 1.00 0.13 C ATOM 1005 CG TYR A 65 2.202 -2.259 -1.766 1.00 22.44 C ATOM 1006 CD1 TYR A 65 0.908 -1.770 -1.910 1.00 34.12 C ATOM 1007 CD2 TYR A 65 2.712 -3.054 -2.784 1.00 4.24 C ATOM 1008 CE1 TYR A 65 0.156 -2.060 -3.035 1.00 3.41 C ATOM 1009 CE2 TYR A 65 1.966 -3.353 -3.908 1.00 32.25 C ATOM 1010 CZ TYR A 65 0.688 -2.858 -4.026 1.00 70.21 C ATOM 1011 OH TYR A 65 -0.061 -3.164 -5.141 1.00 34.11 O ATOM 0 H TYR A 65 1.560 0.529 -0.606 1.00 43.40 H new ATOM 0 HA TYR A 65 4.104 -0.432 0.529 1.00 11.41 H new ATOM 0 HB2 TYR A 65 3.965 -2.528 -0.592 1.00 0.13 H new ATOM 0 HB3 TYR A 65 2.497 -2.341 0.347 1.00 0.13 H new ATOM 0 HD1 TYR A 65 0.483 -1.154 -1.131 1.00 34.12 H new ATOM 0 HD2 TYR A 65 3.714 -3.447 -2.695 1.00 4.24 H new ATOM 0 HE1 TYR A 65 -0.843 -1.663 -3.136 1.00 3.41 H new ATOM 0 HE2 TYR A 65 2.384 -3.971 -4.689 1.00 32.25 H new ATOM 0 HH TYR A 65 0.194 -2.572 -5.879 1.00 34.11 H new ATOM 1021 N GLY A 66 5.354 0.347 -1.422 1.00 2.13 N ATOM 1022 CA GLY A 66 6.150 0.871 -2.529 1.00 15.13 C ATOM 1023 C GLY A 66 7.087 -0.182 -3.122 1.00 55.51 C ATOM 1024 O GLY A 66 7.017 -1.357 -2.764 1.00 44.31 O ATOM 0 H GLY A 66 5.892 0.156 -0.577 1.00 2.13 H new ATOM 0 HA2 GLY A 66 5.484 1.241 -3.308 1.00 15.13 H new ATOM 0 HA3 GLY A 66 6.737 1.721 -2.181 1.00 15.13 H new ATOM 1028 N ALA A 67 7.964 0.236 -4.035 1.00 11.33 N ATOM 1029 CA ALA A 67 8.985 -0.661 -4.598 1.00 42.42 C ATOM 1030 C ALA A 67 10.193 -0.785 -3.651 1.00 11.14 C ATOM 1031 O ALA A 67 11.068 -1.632 -3.838 1.00 60.31 O ATOM 1032 CB ALA A 67 9.430 -0.162 -5.971 1.00 25.42 C ATOM 0 H ALA A 67 7.992 1.187 -4.403 1.00 11.33 H new ATOM 0 HA ALA A 67 8.543 -1.651 -4.712 1.00 42.42 H new ATOM 0 HB1 ALA A 67 10.186 -0.835 -6.376 1.00 25.42 H new ATOM 0 HB2 ALA A 67 8.572 -0.133 -6.643 1.00 25.42 H new ATOM 0 HB3 ALA A 67 9.850 0.839 -5.876 1.00 25.42 H new ATOM 1038 N GLY A 68 10.226 0.084 -2.642 1.00 13.34 N ATOM 1039 CA GLY A 68 11.271 0.048 -1.627 1.00 21.24 C ATOM 1040 C GLY A 68 10.805 0.636 -0.300 1.00 11.13 C ATOM 1041 O GLY A 68 9.771 1.314 -0.244 1.00 72.14 O ATOM 0 H GLY A 68 9.537 0.824 -2.508 1.00 13.34 H new ATOM 0 HA2 GLY A 68 11.591 -0.983 -1.473 1.00 21.24 H new ATOM 0 HA3 GLY A 68 12.140 0.602 -1.983 1.00 21.24 H new ATOM 1045 N ASP A 69 11.565 0.386 0.767 1.00 12.51 N ATOM 1046 CA ASP A 69 11.207 0.865 2.108 1.00 13.24 C ATOM 1047 C ASP A 69 11.034 2.393 2.136 1.00 14.22 C ATOM 1048 O ASP A 69 10.054 2.909 2.672 1.00 75.21 O ATOM 1049 CB ASP A 69 12.279 0.447 3.118 1.00 15.21 C ATOM 1050 CG ASP A 69 12.499 -1.052 3.140 1.00 20.33 C ATOM 1051 OD1 ASP A 69 13.099 -1.578 2.178 1.00 12.42 O ATOM 1052 OD2 ASP A 69 12.074 -1.713 4.112 1.00 22.22 O ATOM 0 H ASP A 69 12.434 -0.146 0.731 1.00 12.51 H new ATOM 0 HA ASP A 69 10.253 0.413 2.378 1.00 13.24 H new ATOM 0 HB2 ASP A 69 13.217 0.946 2.875 1.00 15.21 H new ATOM 0 HB3 ASP A 69 11.988 0.783 4.113 1.00 15.21 H new ATOM 1057 N GLU A 70 11.980 3.108 1.534 1.00 54.22 N ATOM 1058 CA GLU A 70 11.942 4.575 1.520 1.00 54.24 C ATOM 1059 C GLU A 70 10.701 5.107 0.783 1.00 61.21 C ATOM 1060 O GLU A 70 10.028 6.013 1.269 1.00 23.15 O ATOM 1061 CB GLU A 70 13.213 5.139 0.876 1.00 4.15 C ATOM 1062 CG GLU A 70 13.258 6.665 0.843 1.00 73.24 C ATOM 1063 CD GLU A 70 14.568 7.197 0.295 1.00 14.12 C ATOM 1064 OE1 GLU A 70 15.510 7.402 1.089 1.00 12.14 O ATOM 1065 OE2 GLU A 70 14.665 7.412 -0.930 1.00 42.43 O ATOM 0 H GLU A 70 12.781 2.702 1.050 1.00 54.22 H new ATOM 0 HA GLU A 70 11.885 4.908 2.556 1.00 54.24 H new ATOM 0 HB2 GLU A 70 14.081 4.770 1.422 1.00 4.15 H new ATOM 0 HB3 GLU A 70 13.293 4.760 -0.143 1.00 4.15 H new ATOM 0 HG2 GLU A 70 12.435 7.036 0.232 1.00 73.24 H new ATOM 0 HG3 GLU A 70 13.106 7.051 1.851 1.00 73.24 H new ATOM 1072 N GLN A 71 10.396 4.542 -0.385 1.00 0.31 N ATOM 1073 CA GLN A 71 9.235 4.987 -1.172 1.00 63.24 C ATOM 1074 C GLN A 71 7.922 4.807 -0.392 1.00 1.51 C ATOM 1075 O GLN A 71 7.111 5.729 -0.298 1.00 2.05 O ATOM 1076 CB GLN A 71 9.151 4.230 -2.506 1.00 71.33 C ATOM 1077 CG GLN A 71 8.003 4.697 -3.401 1.00 53.40 C ATOM 1078 CD GLN A 71 8.002 4.026 -4.761 1.00 32.20 C ATOM 1079 OE1 GLN A 71 8.431 2.886 -4.910 1.00 72.22 O ATOM 1080 NE2 GLN A 71 7.522 4.728 -5.768 1.00 31.10 N ATOM 0 H GLN A 71 10.928 3.782 -0.808 1.00 0.31 H new ATOM 0 HA GLN A 71 9.374 6.049 -1.374 1.00 63.24 H new ATOM 0 HB2 GLN A 71 10.092 4.351 -3.043 1.00 71.33 H new ATOM 0 HB3 GLN A 71 9.034 3.165 -2.304 1.00 71.33 H new ATOM 0 HG2 GLN A 71 7.055 4.496 -2.902 1.00 53.40 H new ATOM 0 HG3 GLN A 71 8.070 5.777 -3.535 1.00 53.40 H new ATOM 0 HE21 GLN A 71 7.173 5.673 -5.610 1.00 31.10 H new ATOM 0 HE22 GLN A 71 7.500 4.326 -6.705 1.00 31.10 H new ATOM 1089 N THR A 72 7.725 3.616 0.171 1.00 25.52 N ATOM 1090 CA THR A 72 6.497 3.309 0.915 1.00 51.22 C ATOM 1091 C THR A 72 6.377 4.176 2.172 1.00 75.32 C ATOM 1092 O THR A 72 5.320 4.738 2.464 1.00 3.21 O ATOM 1093 CB THR A 72 6.433 1.811 1.306 1.00 55.14 C ATOM 1094 OG1 THR A 72 5.095 1.452 1.660 1.00 61.02 O ATOM 1095 CG2 THR A 72 7.372 1.450 2.457 1.00 44.42 C ATOM 0 H THR A 72 8.395 2.848 0.128 1.00 25.52 H new ATOM 0 HA THR A 72 5.660 3.533 0.254 1.00 51.22 H new ATOM 0 HB THR A 72 6.761 1.250 0.431 1.00 55.14 H new ATOM 0 HG1 THR A 72 5.107 0.631 2.195 1.00 61.02 H new ATOM 0 HG21 THR A 72 7.280 0.388 2.682 1.00 44.42 H new ATOM 0 HG22 THR A 72 8.400 1.672 2.171 1.00 44.42 H new ATOM 0 HG23 THR A 72 7.107 2.032 3.339 1.00 44.42 H new ATOM 1103 N SER A 73 7.483 4.283 2.895 1.00 73.34 N ATOM 1104 CA SER A 73 7.564 5.115 4.107 1.00 41.10 C ATOM 1105 C SER A 73 7.296 6.597 3.797 1.00 31.14 C ATOM 1106 O SER A 73 6.550 7.272 4.514 1.00 41.03 O ATOM 1107 CB SER A 73 8.947 4.971 4.756 1.00 33.22 C ATOM 1108 OG SER A 73 9.028 5.686 5.978 1.00 32.24 O ATOM 0 H SER A 73 8.352 3.800 2.666 1.00 73.34 H new ATOM 0 HA SER A 73 6.795 4.766 4.796 1.00 41.10 H new ATOM 0 HB2 SER A 73 9.157 3.917 4.936 1.00 33.22 H new ATOM 0 HB3 SER A 73 9.711 5.335 4.069 1.00 33.22 H new ATOM 0 HG SER A 73 8.579 5.177 6.685 1.00 32.24 H new ATOM 1114 N GLN A 74 7.895 7.091 2.713 1.00 44.32 N ATOM 1115 CA GLN A 74 7.723 8.471 2.280 1.00 13.13 C ATOM 1116 C GLN A 74 6.253 8.754 1.927 1.00 10.22 C ATOM 1117 O GLN A 74 5.704 9.794 2.285 1.00 41.52 O ATOM 1118 CB GLN A 74 8.645 8.726 1.078 1.00 42.13 C ATOM 1119 CG GLN A 74 8.255 9.921 0.234 1.00 3.54 C ATOM 1120 CD GLN A 74 9.157 10.124 -0.976 1.00 43.41 C ATOM 1121 OE1 GLN A 74 9.381 11.244 -1.419 1.00 52.24 O ATOM 1122 NE2 GLN A 74 9.676 9.042 -1.524 1.00 0.01 N ATOM 0 H GLN A 74 8.512 6.543 2.113 1.00 44.32 H new ATOM 0 HA GLN A 74 7.992 9.148 3.090 1.00 13.13 H new ATOM 0 HB2 GLN A 74 9.663 8.869 1.440 1.00 42.13 H new ATOM 0 HB3 GLN A 74 8.653 7.838 0.447 1.00 42.13 H new ATOM 0 HG2 GLN A 74 7.226 9.797 -0.105 1.00 3.54 H new ATOM 0 HG3 GLN A 74 8.281 10.818 0.853 1.00 3.54 H new ATOM 0 HE21 GLN A 74 9.471 8.123 -1.132 1.00 0.01 H new ATOM 0 HE22 GLN A 74 10.283 9.124 -2.340 1.00 0.01 H new ATOM 1131 N ALA A 75 5.621 7.809 1.233 1.00 23.21 N ATOM 1132 CA ALA A 75 4.190 7.897 0.921 1.00 51.12 C ATOM 1133 C ALA A 75 3.348 7.994 2.204 1.00 41.53 C ATOM 1134 O ALA A 75 2.482 8.861 2.336 1.00 41.22 O ATOM 1135 CB ALA A 75 3.771 6.686 0.097 1.00 15.01 C ATOM 0 H ALA A 75 6.076 6.970 0.874 1.00 23.21 H new ATOM 0 HA ALA A 75 4.015 8.803 0.342 1.00 51.12 H new ATOM 0 HB1 ALA A 75 2.708 6.753 -0.134 1.00 15.01 H new ATOM 0 HB2 ALA A 75 4.343 6.662 -0.831 1.00 15.01 H new ATOM 0 HB3 ALA A 75 3.962 5.776 0.665 1.00 15.01 H new ATOM 1141 N VAL A 76 3.611 7.088 3.142 1.00 72.13 N ATOM 1142 CA VAL A 76 2.982 7.129 4.474 1.00 1.05 C ATOM 1143 C VAL A 76 3.167 8.502 5.147 1.00 63.24 C ATOM 1144 O VAL A 76 2.243 9.029 5.778 1.00 65.12 O ATOM 1145 CB VAL A 76 3.561 6.022 5.392 1.00 1.42 C ATOM 1146 CG1 VAL A 76 3.037 6.150 6.823 1.00 30.44 C ATOM 1147 CG2 VAL A 76 3.243 4.643 4.822 1.00 71.40 C ATOM 0 H VAL A 76 4.258 6.310 3.010 1.00 72.13 H new ATOM 0 HA VAL A 76 1.916 6.956 4.329 1.00 1.05 H new ATOM 0 HB VAL A 76 4.643 6.146 5.427 1.00 1.42 H new ATOM 0 HG11 VAL A 76 3.463 5.358 7.439 1.00 30.44 H new ATOM 0 HG12 VAL A 76 3.323 7.120 7.230 1.00 30.44 H new ATOM 0 HG13 VAL A 76 1.950 6.063 6.822 1.00 30.44 H new ATOM 0 HG21 VAL A 76 3.655 3.875 5.476 1.00 71.40 H new ATOM 0 HG22 VAL A 76 2.162 4.518 4.752 1.00 71.40 H new ATOM 0 HG23 VAL A 76 3.684 4.549 3.830 1.00 71.40 H new ATOM 1157 N ASN A 77 4.366 9.068 5.014 1.00 12.32 N ATOM 1158 CA ASN A 77 4.659 10.421 5.505 1.00 53.24 C ATOM 1159 C ASN A 77 3.717 11.451 4.873 1.00 41.44 C ATOM 1160 O ASN A 77 3.127 12.287 5.555 1.00 32.20 O ATOM 1161 CB ASN A 77 6.105 10.789 5.167 1.00 54.23 C ATOM 1162 CG ASN A 77 6.533 12.124 5.751 1.00 62.31 C ATOM 1163 OD1 ASN A 77 6.072 12.540 6.810 1.00 13.10 O ATOM 1164 ND2 ASN A 77 7.415 12.810 5.058 1.00 64.42 N ATOM 0 H ASN A 77 5.159 8.608 4.567 1.00 12.32 H new ATOM 0 HA ASN A 77 4.513 10.430 6.585 1.00 53.24 H new ATOM 0 HB2 ASN A 77 6.768 10.008 5.538 1.00 54.23 H new ATOM 0 HB3 ASN A 77 6.222 10.819 4.084 1.00 54.23 H new ATOM 0 HD21 ASN A 77 7.736 13.717 5.397 1.00 64.42 H new ATOM 0 HD22 ASN A 77 7.778 12.435 4.182 1.00 64.42 H new ATOM 1171 N LEU A 78 3.590 11.370 3.558 1.00 30.20 N ATOM 1172 CA LEU A 78 2.761 12.294 2.783 1.00 54.12 C ATOM 1173 C LEU A 78 1.273 12.190 3.158 1.00 73.32 C ATOM 1174 O LEU A 78 0.568 13.198 3.211 1.00 13.43 O ATOM 1175 CB LEU A 78 2.981 12.008 1.296 1.00 5.23 C ATOM 1176 CG LEU A 78 4.436 12.200 0.836 1.00 23.11 C ATOM 1177 CD1 LEU A 78 4.664 11.600 -0.543 1.00 22.22 C ATOM 1178 CD2 LEU A 78 4.818 13.679 0.863 1.00 11.12 C ATOM 0 H LEU A 78 4.058 10.662 2.992 1.00 30.20 H new ATOM 0 HA LEU A 78 3.058 13.317 3.012 1.00 54.12 H new ATOM 0 HB2 LEU A 78 2.675 10.984 1.083 1.00 5.23 H new ATOM 0 HB3 LEU A 78 2.335 12.662 0.710 1.00 5.23 H new ATOM 0 HG LEU A 78 5.083 11.669 1.534 1.00 23.11 H new ATOM 0 HD11 LEU A 78 5.702 11.752 -0.839 1.00 22.22 H new ATOM 0 HD12 LEU A 78 4.448 10.532 -0.515 1.00 22.22 H new ATOM 0 HD13 LEU A 78 4.006 12.085 -1.264 1.00 22.22 H new ATOM 0 HD21 LEU A 78 5.851 13.794 0.534 1.00 11.12 H new ATOM 0 HD22 LEU A 78 4.161 14.237 0.196 1.00 11.12 H new ATOM 0 HD23 LEU A 78 4.715 14.063 1.878 1.00 11.12 H new ATOM 1190 N LEU A 79 0.804 10.973 3.428 1.00 44.41 N ATOM 1191 CA LEU A 79 -0.581 10.760 3.870 1.00 21.55 C ATOM 1192 C LEU A 79 -0.842 11.388 5.247 1.00 32.21 C ATOM 1193 O LEU A 79 -1.798 12.147 5.422 1.00 74.21 O ATOM 1194 CB LEU A 79 -0.916 9.262 3.897 1.00 4.52 C ATOM 1195 CG LEU A 79 -1.059 8.602 2.517 1.00 50.35 C ATOM 1196 CD1 LEU A 79 -1.341 7.110 2.655 1.00 34.03 C ATOM 1197 CD2 LEU A 79 -2.158 9.289 1.708 1.00 51.12 C ATOM 0 H LEU A 79 1.357 10.120 3.350 1.00 44.41 H new ATOM 0 HA LEU A 79 -1.232 11.255 3.150 1.00 21.55 H new ATOM 0 HB2 LEU A 79 -0.136 8.741 4.453 1.00 4.52 H new ATOM 0 HB3 LEU A 79 -1.847 9.123 4.447 1.00 4.52 H new ATOM 0 HG LEU A 79 -0.116 8.717 1.983 1.00 50.35 H new ATOM 0 HD11 LEU A 79 -1.438 6.665 1.665 1.00 34.03 H new ATOM 0 HD12 LEU A 79 -0.519 6.632 3.188 1.00 34.03 H new ATOM 0 HD13 LEU A 79 -2.267 6.965 3.211 1.00 34.03 H new ATOM 0 HD21 LEU A 79 -2.246 8.809 0.733 1.00 51.12 H new ATOM 0 HD22 LEU A 79 -3.106 9.208 2.240 1.00 51.12 H new ATOM 0 HD23 LEU A 79 -1.907 10.341 1.573 1.00 51.12 H new ATOM 1209 N ARG A 80 0.005 11.084 6.230 1.00 14.32 N ATOM 1210 CA ARG A 80 -0.144 11.677 7.564 1.00 60.12 C ATOM 1211 C ARG A 80 0.096 13.197 7.520 1.00 74.43 C ATOM 1212 O ARG A 80 -0.468 13.948 8.318 1.00 43.30 O ATOM 1213 CB ARG A 80 0.788 10.998 8.578 1.00 23.03 C ATOM 1214 CG ARG A 80 2.270 11.096 8.240 1.00 30.05 C ATOM 1215 CD ARG A 80 3.116 10.275 9.206 1.00 22.34 C ATOM 1216 NE ARG A 80 2.719 8.865 9.209 1.00 54.40 N ATOM 1217 CZ ARG A 80 2.813 8.076 10.248 1.00 2.31 C ATOM 1218 NH1 ARG A 80 3.328 8.504 11.357 1.00 13.21 N ATOM 1219 NH2 ARG A 80 2.394 6.851 10.172 1.00 63.10 N ATOM 0 H ARG A 80 0.791 10.441 6.134 1.00 14.32 H new ATOM 0 HA ARG A 80 -1.170 11.510 7.893 1.00 60.12 H new ATOM 0 HB2 ARG A 80 0.622 11.443 9.559 1.00 23.03 H new ATOM 0 HB3 ARG A 80 0.515 9.946 8.655 1.00 23.03 H new ATOM 0 HG2 ARG A 80 2.436 10.747 7.221 1.00 30.05 H new ATOM 0 HG3 ARG A 80 2.584 12.139 8.275 1.00 30.05 H new ATOM 0 HD2 ARG A 80 4.167 10.357 8.929 1.00 22.34 H new ATOM 0 HD3 ARG A 80 3.019 10.683 10.212 1.00 22.34 H new ATOM 0 HE ARG A 80 2.345 8.473 8.345 1.00 54.40 H new ATOM 0 HH11 ARG A 80 3.665 9.464 11.426 1.00 13.21 H new ATOM 0 HH12 ARG A 80 3.397 7.881 12.161 1.00 13.21 H new ATOM 0 HH21 ARG A 80 1.991 6.503 9.302 1.00 63.10 H new ATOM 0 HH22 ARG A 80 2.467 6.236 10.982 1.00 63.10 H new ATOM 1233 N SER A 81 0.934 13.641 6.580 1.00 21.44 N ATOM 1234 CA SER A 81 1.100 15.077 6.296 1.00 70.44 C ATOM 1235 C SER A 81 -0.207 15.680 5.754 1.00 40.43 C ATOM 1236 O SER A 81 -0.516 16.848 5.998 1.00 12.35 O ATOM 1237 CB SER A 81 2.232 15.296 5.282 1.00 73.12 C ATOM 1238 OG SER A 81 2.400 16.672 4.968 1.00 23.01 O ATOM 0 H SER A 81 1.510 13.031 6.000 1.00 21.44 H new ATOM 0 HA SER A 81 1.356 15.578 7.229 1.00 70.44 H new ATOM 0 HB2 SER A 81 3.163 14.899 5.686 1.00 73.12 H new ATOM 0 HB3 SER A 81 2.016 14.739 4.370 1.00 73.12 H new ATOM 0 HG SER A 81 3.129 16.773 4.321 1.00 23.01 H new ATOM 1244 N ALA A 82 -0.976 14.869 5.022 1.00 74.12 N ATOM 1245 CA ALA A 82 -2.276 15.295 4.478 1.00 60.54 C ATOM 1246 C ALA A 82 -3.415 15.164 5.511 1.00 72.42 C ATOM 1247 O ALA A 82 -4.567 15.503 5.226 1.00 1.25 O ATOM 1248 CB ALA A 82 -2.606 14.490 3.224 1.00 13.32 C ATOM 0 H ALA A 82 -0.722 13.909 4.790 1.00 74.12 H new ATOM 0 HA ALA A 82 -2.193 16.352 4.223 1.00 60.54 H new ATOM 0 HB1 ALA A 82 -3.569 14.812 2.828 1.00 13.32 H new ATOM 0 HB2 ALA A 82 -1.833 14.653 2.473 1.00 13.32 H new ATOM 0 HB3 ALA A 82 -2.652 13.430 3.474 1.00 13.32 H new ATOM 1254 N GLY A 83 -3.095 14.658 6.705 1.00 4.10 N ATOM 1255 CA GLY A 83 -4.088 14.572 7.778 1.00 22.50 C ATOM 1256 C GLY A 83 -4.494 13.147 8.152 1.00 45.42 C ATOM 1257 O GLY A 83 -5.153 12.939 9.168 1.00 31.43 O ATOM 0 H GLY A 83 -2.170 14.306 6.951 1.00 4.10 H new ATOM 0 HA2 GLY A 83 -3.691 15.068 8.664 1.00 22.50 H new ATOM 0 HA3 GLY A 83 -4.979 15.123 7.477 1.00 22.50 H new ATOM 1261 N PHE A 84 -4.121 12.166 7.331 1.00 55.34 N ATOM 1262 CA PHE A 84 -4.492 10.766 7.591 1.00 72.22 C ATOM 1263 C PHE A 84 -3.927 10.252 8.927 1.00 63.04 C ATOM 1264 O PHE A 84 -2.710 10.191 9.125 1.00 60.32 O ATOM 1265 CB PHE A 84 -4.028 9.857 6.446 1.00 75.11 C ATOM 1266 CG PHE A 84 -4.782 10.065 5.157 1.00 5.34 C ATOM 1267 CD1 PHE A 84 -4.406 11.062 4.270 1.00 24.13 C ATOM 1268 CD2 PHE A 84 -5.867 9.259 4.831 1.00 62.04 C ATOM 1269 CE1 PHE A 84 -5.093 11.252 3.090 1.00 75.13 C ATOM 1270 CE2 PHE A 84 -6.555 9.449 3.651 1.00 25.11 C ATOM 1271 CZ PHE A 84 -6.168 10.446 2.783 1.00 0.30 C ATOM 0 H PHE A 84 -3.567 12.307 6.486 1.00 55.34 H new ATOM 0 HA PHE A 84 -5.580 10.737 7.656 1.00 72.22 H new ATOM 0 HB2 PHE A 84 -2.967 10.028 6.266 1.00 75.11 H new ATOM 0 HB3 PHE A 84 -4.135 8.817 6.754 1.00 75.11 H new ATOM 0 HD1 PHE A 84 -3.565 11.697 4.506 1.00 24.13 H new ATOM 0 HD2 PHE A 84 -6.174 8.476 5.509 1.00 62.04 H new ATOM 0 HE1 PHE A 84 -4.789 12.031 2.407 1.00 75.13 H new ATOM 0 HE2 PHE A 84 -7.396 8.817 3.408 1.00 25.11 H new ATOM 0 HZ PHE A 84 -6.708 10.596 1.860 1.00 0.30 H new ATOM 1281 N GLU A 85 -4.826 9.891 9.841 1.00 11.33 N ATOM 1282 CA GLU A 85 -4.444 9.316 11.134 1.00 13.20 C ATOM 1283 C GLU A 85 -4.004 7.852 10.993 1.00 22.04 C ATOM 1284 O GLU A 85 -2.977 7.444 11.535 1.00 64.24 O ATOM 1285 CB GLU A 85 -5.617 9.397 12.123 1.00 33.42 C ATOM 1286 CG GLU A 85 -6.000 10.817 12.530 1.00 4.12 C ATOM 1287 CD GLU A 85 -7.070 10.846 13.612 1.00 63.53 C ATOM 1288 OE1 GLU A 85 -6.775 10.431 14.756 1.00 74.03 O ATOM 1289 OE2 GLU A 85 -8.210 11.275 13.330 1.00 60.23 O ATOM 0 H GLU A 85 -5.833 9.987 9.710 1.00 11.33 H new ATOM 0 HA GLU A 85 -3.602 9.897 11.511 1.00 13.20 H new ATOM 0 HB2 GLU A 85 -6.486 8.913 11.678 1.00 33.42 H new ATOM 0 HB3 GLU A 85 -5.361 8.832 13.019 1.00 33.42 H new ATOM 0 HG2 GLU A 85 -5.113 11.341 12.887 1.00 4.12 H new ATOM 0 HG3 GLU A 85 -6.359 11.358 11.654 1.00 4.12 H new ATOM 1296 N HIS A 86 -4.782 7.066 10.251 1.00 72.43 N ATOM 1297 CA HIS A 86 -4.542 5.617 10.163 1.00 33.00 C ATOM 1298 C HIS A 86 -3.777 5.224 8.885 1.00 44.24 C ATOM 1299 O HIS A 86 -4.382 4.941 7.854 1.00 20.21 O ATOM 1300 CB HIS A 86 -5.874 4.855 10.233 1.00 70.54 C ATOM 1301 CG HIS A 86 -6.597 5.018 11.532 1.00 20.30 C ATOM 1302 ND1 HIS A 86 -6.736 4.001 12.448 1.00 30.11 N ATOM 1303 CD2 HIS A 86 -7.231 6.088 12.067 1.00 12.15 C ATOM 1304 CE1 HIS A 86 -7.418 4.435 13.488 1.00 40.44 C ATOM 1305 NE2 HIS A 86 -7.730 5.695 13.281 1.00 13.24 N ATOM 0 H HIS A 86 -5.577 7.398 9.705 1.00 72.43 H new ATOM 0 HA HIS A 86 -3.916 5.343 11.012 1.00 33.00 H new ATOM 0 HB2 HIS A 86 -6.520 5.196 9.424 1.00 70.54 H new ATOM 0 HB3 HIS A 86 -5.684 3.795 10.064 1.00 70.54 H new ATOM 0 HD1 HIS A 86 -6.368 3.056 12.339 1.00 30.11 H new ATOM 0 HD2 HIS A 86 -7.326 7.067 11.621 1.00 12.15 H new ATOM 0 HE1 HIS A 86 -7.677 3.855 14.361 1.00 40.44 H new ATOM 1314 N VAL A 87 -2.441 5.221 8.958 1.00 64.34 N ATOM 1315 CA VAL A 87 -1.595 4.802 7.823 1.00 24.02 C ATOM 1316 C VAL A 87 -0.359 4.010 8.298 1.00 5.43 C ATOM 1317 O VAL A 87 0.302 4.396 9.265 1.00 71.55 O ATOM 1318 CB VAL A 87 -1.107 6.012 6.977 1.00 13.41 C ATOM 1319 CG1 VAL A 87 -0.331 5.532 5.749 1.00 1.32 C ATOM 1320 CG2 VAL A 87 -2.271 6.904 6.558 1.00 53.03 C ATOM 0 H VAL A 87 -1.918 5.503 9.787 1.00 64.34 H new ATOM 0 HA VAL A 87 -2.225 4.164 7.204 1.00 24.02 H new ATOM 0 HB VAL A 87 -0.440 6.606 7.602 1.00 13.41 H new ATOM 0 HG11 VAL A 87 0.002 6.393 5.170 1.00 1.32 H new ATOM 0 HG12 VAL A 87 0.535 4.953 6.069 1.00 1.32 H new ATOM 0 HG13 VAL A 87 -0.977 4.907 5.132 1.00 1.32 H new ATOM 0 HG21 VAL A 87 -1.895 7.740 5.968 1.00 53.03 H new ATOM 0 HG22 VAL A 87 -2.975 6.326 5.960 1.00 53.03 H new ATOM 0 HG23 VAL A 87 -2.776 7.284 7.446 1.00 53.03 H new ATOM 1330 N SER A 88 -0.046 2.914 7.605 1.00 10.30 N ATOM 1331 CA SER A 88 1.139 2.092 7.922 1.00 43.23 C ATOM 1332 C SER A 88 1.878 1.659 6.643 1.00 2.21 C ATOM 1333 O SER A 88 1.253 1.449 5.600 1.00 53.15 O ATOM 1334 CB SER A 88 0.728 0.847 8.722 1.00 41.21 C ATOM 1335 OG SER A 88 1.854 0.044 9.052 1.00 10.41 O ATOM 0 H SER A 88 -0.594 2.568 6.817 1.00 10.30 H new ATOM 0 HA SER A 88 1.813 2.704 8.522 1.00 43.23 H new ATOM 0 HB2 SER A 88 0.217 1.152 9.635 1.00 41.21 H new ATOM 0 HB3 SER A 88 0.018 0.258 8.141 1.00 41.21 H new ATOM 0 HG SER A 88 1.559 -0.739 9.562 1.00 10.41 H new ATOM 1341 N GLU A 89 3.205 1.530 6.722 1.00 5.45 N ATOM 1342 CA GLU A 89 4.017 1.114 5.564 1.00 61.10 C ATOM 1343 C GLU A 89 4.238 -0.410 5.549 1.00 40.03 C ATOM 1344 O GLU A 89 4.469 -1.029 6.589 1.00 42.53 O ATOM 1345 CB GLU A 89 5.371 1.850 5.564 1.00 1.45 C ATOM 1346 CG GLU A 89 6.213 1.600 6.808 1.00 35.03 C ATOM 1347 CD GLU A 89 7.521 2.378 6.816 1.00 53.33 C ATOM 1348 OE1 GLU A 89 7.535 3.521 7.323 1.00 22.35 O ATOM 1349 OE2 GLU A 89 8.544 1.844 6.338 1.00 43.45 O ATOM 0 H GLU A 89 3.743 1.706 7.570 1.00 5.45 H new ATOM 0 HA GLU A 89 3.468 1.382 4.661 1.00 61.10 H new ATOM 0 HB2 GLU A 89 5.939 1.544 4.686 1.00 1.45 H new ATOM 0 HB3 GLU A 89 5.191 2.921 5.469 1.00 1.45 H new ATOM 0 HG2 GLU A 89 5.633 1.869 7.691 1.00 35.03 H new ATOM 0 HG3 GLU A 89 6.431 0.535 6.882 1.00 35.03 H new ATOM 1356 N LEU A 90 4.164 -1.011 4.362 1.00 31.55 N ATOM 1357 CA LEU A 90 4.301 -2.464 4.218 1.00 63.53 C ATOM 1358 C LEU A 90 5.766 -2.881 3.990 1.00 34.33 C ATOM 1359 O LEU A 90 6.327 -2.673 2.910 1.00 50.04 O ATOM 1360 CB LEU A 90 3.426 -2.966 3.060 1.00 34.35 C ATOM 1361 CG LEU A 90 3.282 -4.494 2.967 1.00 42.21 C ATOM 1362 CD1 LEU A 90 2.601 -5.042 4.219 1.00 75.31 C ATOM 1363 CD2 LEU A 90 2.505 -4.897 1.713 1.00 43.43 C ATOM 0 H LEU A 90 4.010 -0.515 3.484 1.00 31.55 H new ATOM 0 HA LEU A 90 3.967 -2.920 5.150 1.00 63.53 H new ATOM 0 HB2 LEU A 90 2.433 -2.528 3.159 1.00 34.35 H new ATOM 0 HB3 LEU A 90 3.844 -2.598 2.123 1.00 34.35 H new ATOM 0 HG LEU A 90 4.281 -4.925 2.897 1.00 42.21 H new ATOM 0 HD11 LEU A 90 2.507 -6.125 4.137 1.00 75.31 H new ATOM 0 HD12 LEU A 90 3.199 -4.795 5.096 1.00 75.31 H new ATOM 0 HD13 LEU A 90 1.611 -4.598 4.318 1.00 75.31 H new ATOM 0 HD21 LEU A 90 2.418 -5.983 1.672 1.00 43.43 H new ATOM 0 HD22 LEU A 90 1.510 -4.454 1.744 1.00 43.43 H new ATOM 0 HD23 LEU A 90 3.033 -4.542 0.828 1.00 43.43 H new ATOM 1375 N LYS A 91 6.374 -3.469 5.017 1.00 54.22 N ATOM 1376 CA LYS A 91 7.756 -3.964 4.934 1.00 50.20 C ATOM 1377 C LYS A 91 7.899 -5.078 3.879 1.00 45.32 C ATOM 1378 O LYS A 91 7.081 -5.998 3.817 1.00 40.15 O ATOM 1379 CB LYS A 91 8.206 -4.482 6.309 1.00 63.52 C ATOM 1380 CG LYS A 91 8.376 -3.384 7.358 1.00 34.42 C ATOM 1381 CD LYS A 91 8.670 -3.958 8.744 1.00 63.24 C ATOM 1382 CE LYS A 91 7.501 -4.783 9.277 1.00 3.02 C ATOM 1383 NZ LYS A 91 7.767 -5.329 10.636 1.00 25.33 N ATOM 0 H LYS A 91 5.933 -3.618 5.924 1.00 54.22 H new ATOM 0 HA LYS A 91 8.392 -3.134 4.628 1.00 50.20 H new ATOM 0 HB2 LYS A 91 7.476 -5.206 6.670 1.00 63.52 H new ATOM 0 HB3 LYS A 91 9.152 -5.012 6.195 1.00 63.52 H new ATOM 0 HG2 LYS A 91 9.188 -2.721 7.060 1.00 34.42 H new ATOM 0 HG3 LYS A 91 7.470 -2.780 7.400 1.00 34.42 H new ATOM 0 HD2 LYS A 91 9.563 -4.581 8.697 1.00 63.24 H new ATOM 0 HD3 LYS A 91 8.886 -3.144 9.436 1.00 63.24 H new ATOM 0 HE2 LYS A 91 6.605 -4.163 9.306 1.00 3.02 H new ATOM 0 HE3 LYS A 91 7.297 -5.605 8.591 1.00 3.02 H new ATOM 0 HZ1 LYS A 91 6.915 -5.809 10.990 1.00 25.33 H new ATOM 0 HZ2 LYS A 91 8.553 -6.008 10.590 1.00 25.33 H new ATOM 0 HZ3 LYS A 91 8.019 -4.552 11.279 1.00 25.33 H new ATOM 1397 N GLY A 92 8.938 -4.984 3.048 1.00 44.52 N ATOM 1398 CA GLY A 92 9.174 -5.986 2.012 1.00 60.50 C ATOM 1399 C GLY A 92 8.448 -5.693 0.699 1.00 1.53 C ATOM 1400 O GLY A 92 8.739 -6.313 -0.328 1.00 73.21 O ATOM 0 H GLY A 92 9.624 -4.230 3.073 1.00 44.52 H new ATOM 0 HA2 GLY A 92 10.245 -6.051 1.819 1.00 60.50 H new ATOM 0 HA3 GLY A 92 8.857 -6.961 2.383 1.00 60.50 H new ATOM 1404 N GLY A 93 7.490 -4.763 0.731 1.00 21.13 N ATOM 1405 CA GLY A 93 6.753 -4.393 -0.475 1.00 61.21 C ATOM 1406 C GLY A 93 6.004 -5.561 -1.125 1.00 14.24 C ATOM 1407 O GLY A 93 5.677 -6.555 -0.467 1.00 1.12 O ATOM 0 H GLY A 93 7.210 -4.258 1.572 1.00 21.13 H new ATOM 0 HA2 GLY A 93 6.038 -3.609 -0.226 1.00 61.21 H new ATOM 0 HA3 GLY A 93 7.449 -3.972 -1.200 1.00 61.21 H new ATOM 1411 N LEU A 94 5.734 -5.441 -2.424 1.00 4.30 N ATOM 1412 CA LEU A 94 5.014 -6.486 -3.164 1.00 24.42 C ATOM 1413 C LEU A 94 5.809 -7.799 -3.224 1.00 13.32 C ATOM 1414 O LEU A 94 5.232 -8.882 -3.150 1.00 25.11 O ATOM 1415 CB LEU A 94 4.699 -6.017 -4.590 1.00 4.43 C ATOM 1416 CG LEU A 94 3.937 -7.037 -5.456 1.00 72.53 C ATOM 1417 CD1 LEU A 94 2.517 -7.247 -4.935 1.00 33.20 C ATOM 1418 CD2 LEU A 94 3.925 -6.603 -6.918 1.00 1.43 C ATOM 0 H LEU A 94 6.001 -4.634 -2.988 1.00 4.30 H new ATOM 0 HA LEU A 94 4.085 -6.674 -2.626 1.00 24.42 H new ATOM 0 HB2 LEU A 94 4.112 -5.100 -4.534 1.00 4.43 H new ATOM 0 HB3 LEU A 94 5.635 -5.766 -5.089 1.00 4.43 H new ATOM 0 HG LEU A 94 4.459 -7.992 -5.391 1.00 72.53 H new ATOM 0 HD11 LEU A 94 2.002 -7.972 -5.565 1.00 33.20 H new ATOM 0 HD12 LEU A 94 2.556 -7.619 -3.911 1.00 33.20 H new ATOM 0 HD13 LEU A 94 1.978 -6.300 -4.956 1.00 33.20 H new ATOM 0 HD21 LEU A 94 3.381 -7.338 -7.511 1.00 1.43 H new ATOM 0 HD22 LEU A 94 3.436 -5.633 -7.006 1.00 1.43 H new ATOM 0 HD23 LEU A 94 4.949 -6.527 -7.283 1.00 1.43 H new ATOM 1430 N ALA A 95 7.130 -7.703 -3.360 1.00 24.25 N ATOM 1431 CA ALA A 95 7.982 -8.894 -3.474 1.00 43.41 C ATOM 1432 C ALA A 95 7.825 -9.824 -2.261 1.00 31.43 C ATOM 1433 O ALA A 95 7.698 -11.037 -2.419 1.00 33.33 O ATOM 1434 CB ALA A 95 9.439 -8.485 -3.657 1.00 42.11 C ATOM 0 H ALA A 95 7.636 -6.818 -3.394 1.00 24.25 H new ATOM 0 HA ALA A 95 7.660 -9.452 -4.353 1.00 43.41 H new ATOM 0 HB1 ALA A 95 10.060 -9.377 -3.740 1.00 42.11 H new ATOM 0 HB2 ALA A 95 9.538 -7.888 -4.564 1.00 42.11 H new ATOM 0 HB3 ALA A 95 9.762 -7.897 -2.798 1.00 42.11 H new ATOM 1440 N ALA A 96 7.827 -9.254 -1.056 1.00 42.04 N ATOM 1441 CA ALA A 96 7.580 -10.040 0.160 1.00 4.31 C ATOM 1442 C ALA A 96 6.155 -10.619 0.158 1.00 75.54 C ATOM 1443 O ALA A 96 5.942 -11.783 0.505 1.00 51.45 O ATOM 1444 CB ALA A 96 7.809 -9.188 1.403 1.00 51.10 C ATOM 0 H ALA A 96 7.995 -8.261 -0.893 1.00 42.04 H new ATOM 0 HA ALA A 96 8.285 -10.872 0.176 1.00 4.31 H new ATOM 0 HB1 ALA A 96 7.621 -9.787 2.294 1.00 51.10 H new ATOM 0 HB2 ALA A 96 8.839 -8.832 1.415 1.00 51.10 H new ATOM 0 HB3 ALA A 96 7.130 -8.335 1.390 1.00 51.10 H new ATOM 1450 N TRP A 97 5.188 -9.791 -0.246 1.00 41.03 N ATOM 1451 CA TRP A 97 3.792 -10.225 -0.402 1.00 62.41 C ATOM 1452 C TRP A 97 3.692 -11.444 -1.338 1.00 4.13 C ATOM 1453 O TRP A 97 2.926 -12.378 -1.093 1.00 20.13 O ATOM 1454 CB TRP A 97 2.949 -9.065 -0.956 1.00 65.45 C ATOM 1455 CG TRP A 97 1.485 -9.370 -1.060 1.00 13.24 C ATOM 1456 CD1 TRP A 97 0.824 -9.897 -2.133 1.00 21.24 C ATOM 1457 CD2 TRP A 97 0.501 -9.158 -0.049 1.00 62.11 C ATOM 1458 NE1 TRP A 97 -0.511 -10.028 -1.843 1.00 24.11 N ATOM 1459 CE2 TRP A 97 -0.734 -9.578 -0.571 1.00 5.02 C ATOM 1460 CE3 TRP A 97 0.549 -8.653 1.250 1.00 52.31 C ATOM 1461 CZ2 TRP A 97 -1.914 -9.506 0.161 1.00 22.20 C ATOM 1462 CZ3 TRP A 97 -0.622 -8.581 1.976 1.00 22.51 C ATOM 1463 CH2 TRP A 97 -1.840 -9.007 1.431 1.00 65.25 C ATOM 0 H TRP A 97 5.345 -8.809 -0.473 1.00 41.03 H new ATOM 0 HA TRP A 97 3.411 -10.518 0.576 1.00 62.41 H new ATOM 0 HB2 TRP A 97 3.083 -8.194 -0.315 1.00 65.45 H new ATOM 0 HB3 TRP A 97 3.325 -8.796 -1.943 1.00 65.45 H new ATOM 0 HD1 TRP A 97 1.284 -10.170 -3.071 1.00 21.24 H new ATOM 0 HE1 TRP A 97 -1.221 -10.400 -2.473 1.00 24.11 H new ATOM 0 HE3 TRP A 97 1.484 -8.325 1.679 1.00 52.31 H new ATOM 0 HZ2 TRP A 97 -2.854 -9.832 -0.259 1.00 22.20 H new ATOM 0 HZ3 TRP A 97 -0.599 -8.189 2.982 1.00 22.51 H new ATOM 0 HH2 TRP A 97 -2.739 -8.940 2.026 1.00 65.25 H new ATOM 1474 N LYS A 98 4.484 -11.426 -2.404 1.00 35.22 N ATOM 1475 CA LYS A 98 4.502 -12.516 -3.383 1.00 44.30 C ATOM 1476 C LYS A 98 5.287 -13.731 -2.867 1.00 34.13 C ATOM 1477 O LYS A 98 4.896 -14.876 -3.096 1.00 23.35 O ATOM 1478 CB LYS A 98 5.104 -12.017 -4.705 1.00 31.13 C ATOM 1479 CG LYS A 98 4.275 -10.928 -5.383 1.00 12.42 C ATOM 1480 CD LYS A 98 4.715 -10.680 -6.822 1.00 12.42 C ATOM 1481 CE LYS A 98 6.173 -10.248 -6.919 1.00 14.11 C ATOM 1482 NZ LYS A 98 6.628 -10.161 -8.331 1.00 3.02 N ATOM 0 H LYS A 98 5.128 -10.664 -2.617 1.00 35.22 H new ATOM 0 HA LYS A 98 3.473 -12.837 -3.549 1.00 44.30 H new ATOM 0 HB2 LYS A 98 6.107 -11.634 -4.516 1.00 31.13 H new ATOM 0 HB3 LYS A 98 5.209 -12.860 -5.388 1.00 31.13 H new ATOM 0 HG2 LYS A 98 3.223 -11.214 -5.371 1.00 12.42 H new ATOM 0 HG3 LYS A 98 4.360 -10.002 -4.814 1.00 12.42 H new ATOM 0 HD2 LYS A 98 4.569 -11.589 -7.405 1.00 12.42 H new ATOM 0 HD3 LYS A 98 4.081 -9.912 -7.265 1.00 12.42 H new ATOM 0 HE2 LYS A 98 6.298 -9.279 -6.436 1.00 14.11 H new ATOM 0 HE3 LYS A 98 6.799 -10.957 -6.378 1.00 14.11 H new ATOM 0 HZ1 LYS A 98 7.624 -9.864 -8.357 1.00 3.02 H new ATOM 0 HZ2 LYS A 98 6.532 -11.092 -8.785 1.00 3.02 H new ATOM 0 HZ3 LYS A 98 6.046 -9.466 -8.841 1.00 3.02 H new ATOM 1496 N ALA A 99 6.387 -13.473 -2.165 1.00 65.31 N ATOM 1497 CA ALA A 99 7.226 -14.541 -1.605 1.00 21.15 C ATOM 1498 C ALA A 99 6.423 -15.463 -0.674 1.00 71.13 C ATOM 1499 O ALA A 99 6.579 -16.685 -0.702 1.00 61.31 O ATOM 1500 CB ALA A 99 8.407 -13.938 -0.856 1.00 33.25 C ATOM 0 H ALA A 99 6.724 -12.531 -1.967 1.00 65.31 H new ATOM 0 HA ALA A 99 7.594 -15.146 -2.434 1.00 21.15 H new ATOM 0 HB1 ALA A 99 9.023 -14.737 -0.444 1.00 33.25 H new ATOM 0 HB2 ALA A 99 9.004 -13.336 -1.541 1.00 33.25 H new ATOM 0 HB3 ALA A 99 8.041 -13.308 -0.045 1.00 33.25 H new ATOM 1506 N ILE A 100 5.557 -14.864 0.141 1.00 34.33 N ATOM 1507 CA ILE A 100 4.692 -15.619 1.058 1.00 50.44 C ATOM 1508 C ILE A 100 3.456 -16.198 0.337 1.00 54.45 C ATOM 1509 O ILE A 100 2.529 -16.701 0.978 1.00 22.52 O ATOM 1510 CB ILE A 100 4.215 -14.719 2.226 1.00 35.34 C ATOM 1511 CG1 ILE A 100 3.383 -13.547 1.681 1.00 31.33 C ATOM 1512 CG2 ILE A 100 5.408 -14.210 3.039 1.00 63.01 C ATOM 1513 CD1 ILE A 100 2.910 -12.578 2.740 1.00 11.22 C ATOM 0 H ILE A 100 5.432 -13.853 0.188 1.00 34.33 H new ATOM 0 HA ILE A 100 5.289 -16.445 1.445 1.00 50.44 H new ATOM 0 HB ILE A 100 3.586 -15.311 2.891 1.00 35.34 H new ATOM 0 HG12 ILE A 100 3.978 -13.004 0.947 1.00 31.33 H new ATOM 0 HG13 ILE A 100 2.515 -13.946 1.155 1.00 31.33 H new ATOM 0 HG21 ILE A 100 5.051 -13.580 3.854 1.00 63.01 H new ATOM 0 HG22 ILE A 100 5.957 -15.058 3.449 1.00 63.01 H new ATOM 0 HG23 ILE A 100 6.067 -13.629 2.394 1.00 63.01 H new ATOM 0 HD11 ILE A 100 2.331 -11.782 2.272 1.00 11.22 H new ATOM 0 HD12 ILE A 100 2.286 -13.104 3.462 1.00 11.22 H new ATOM 0 HD13 ILE A 100 3.772 -12.148 3.251 1.00 11.22 H new ATOM 1525 N GLY A 101 3.444 -16.114 -0.995 1.00 12.02 N ATOM 1526 CA GLY A 101 2.317 -16.611 -1.778 1.00 51.43 C ATOM 1527 C GLY A 101 1.039 -15.801 -1.572 1.00 14.35 C ATOM 1528 O GLY A 101 -0.054 -16.363 -1.486 1.00 71.52 O ATOM 0 H GLY A 101 4.198 -15.709 -1.549 1.00 12.02 H new ATOM 0 HA2 GLY A 101 2.583 -16.596 -2.835 1.00 51.43 H new ATOM 0 HA3 GLY A 101 2.128 -17.651 -1.511 1.00 51.43 H new ATOM 1532 N GLY A 102 1.180 -14.482 -1.462 1.00 61.55 N ATOM 1533 CA GLY A 102 0.025 -13.611 -1.268 1.00 34.45 C ATOM 1534 C GLY A 102 -0.811 -13.423 -2.530 1.00 31.50 C ATOM 1535 O GLY A 102 -0.296 -13.549 -3.642 1.00 25.22 O ATOM 0 H GLY A 102 2.076 -13.996 -1.504 1.00 61.55 H new ATOM 0 HA2 GLY A 102 -0.606 -14.026 -0.482 1.00 34.45 H new ATOM 0 HA3 GLY A 102 0.368 -12.637 -0.920 1.00 34.45 H new ATOM 1539 N PRO A 103 -2.118 -13.127 -2.391 1.00 64.33 N ATOM 1540 CA PRO A 103 -3.003 -12.888 -3.547 1.00 10.43 C ATOM 1541 C PRO A 103 -2.555 -11.674 -4.382 1.00 0.03 C ATOM 1542 O PRO A 103 -2.571 -10.534 -3.905 1.00 4.23 O ATOM 1543 CB PRO A 103 -4.381 -12.643 -2.903 1.00 44.41 C ATOM 1544 CG PRO A 103 -4.087 -12.260 -1.489 1.00 40.13 C ATOM 1545 CD PRO A 103 -2.842 -13.015 -1.110 1.00 54.52 C ATOM 0 HA PRO A 103 -2.999 -13.723 -4.248 1.00 10.43 H new ATOM 0 HB2 PRO A 103 -4.923 -11.852 -3.421 1.00 44.41 H new ATOM 0 HB3 PRO A 103 -5.002 -13.538 -2.948 1.00 44.41 H new ATOM 0 HG2 PRO A 103 -3.935 -11.184 -1.399 1.00 40.13 H new ATOM 0 HG3 PRO A 103 -4.917 -12.520 -0.833 1.00 40.13 H new ATOM 0 HD2 PRO A 103 -2.258 -12.480 -0.362 1.00 54.52 H new ATOM 0 HD3 PRO A 103 -3.075 -13.994 -0.692 1.00 54.52 H new ATOM 1553 N THR A 104 -2.144 -11.921 -5.628 1.00 34.13 N ATOM 1554 CA THR A 104 -1.611 -10.856 -6.494 1.00 71.04 C ATOM 1555 C THR A 104 -2.315 -10.792 -7.853 1.00 41.42 C ATOM 1556 O THR A 104 -2.955 -11.749 -8.294 1.00 54.35 O ATOM 1557 CB THR A 104 -0.096 -11.032 -6.753 1.00 51.31 C ATOM 1558 OG1 THR A 104 0.152 -12.287 -7.406 1.00 11.41 O ATOM 1559 CG2 THR A 104 0.697 -10.963 -5.454 1.00 73.25 C ATOM 0 H THR A 104 -2.168 -12.844 -6.062 1.00 34.13 H new ATOM 0 HA THR A 104 -1.795 -9.929 -5.950 1.00 71.04 H new ATOM 0 HB THR A 104 0.230 -10.216 -7.398 1.00 51.31 H new ATOM 0 HG1 THR A 104 1.113 -12.388 -7.567 1.00 11.41 H new ATOM 0 HG21 THR A 104 1.758 -11.090 -5.668 1.00 73.25 H new ATOM 0 HG22 THR A 104 0.536 -9.995 -4.980 1.00 73.25 H new ATOM 0 HG23 THR A 104 0.365 -11.755 -4.783 1.00 73.25 H new ATOM 1567 N GLU A 105 -2.175 -9.640 -8.502 1.00 0.44 N ATOM 1568 CA GLU A 105 -2.708 -9.399 -9.846 1.00 14.13 C ATOM 1569 C GLU A 105 -1.705 -8.598 -10.674 1.00 24.30 C ATOM 1570 O GLU A 105 -0.681 -8.146 -10.164 1.00 30.13 O ATOM 1571 CB GLU A 105 -4.026 -8.614 -9.782 1.00 71.24 C ATOM 1572 CG GLU A 105 -5.176 -9.350 -9.131 1.00 13.54 C ATOM 1573 CD GLU A 105 -6.438 -8.503 -9.086 1.00 30.11 C ATOM 1574 OE1 GLU A 105 -6.486 -7.542 -8.289 1.00 41.11 O ATOM 1575 OE2 GLU A 105 -7.375 -8.773 -9.865 1.00 40.01 O ATOM 0 H GLU A 105 -1.684 -8.837 -8.109 1.00 0.44 H new ATOM 0 HA GLU A 105 -2.888 -10.369 -10.310 1.00 14.13 H new ATOM 0 HB2 GLU A 105 -3.853 -7.686 -9.237 1.00 71.24 H new ATOM 0 HB3 GLU A 105 -4.317 -8.339 -10.796 1.00 71.24 H new ATOM 0 HG2 GLU A 105 -5.376 -10.270 -9.680 1.00 13.54 H new ATOM 0 HG3 GLU A 105 -4.896 -9.638 -8.118 1.00 13.54 H new ATOM 1582 N GLY A 106 -2.014 -8.407 -11.946 1.00 21.02 N ATOM 1583 CA GLY A 106 -1.162 -7.590 -12.805 1.00 21.11 C ATOM 1584 C GLY A 106 -0.965 -8.156 -14.205 1.00 61.22 C ATOM 1585 O GLY A 106 -1.506 -9.207 -14.552 1.00 23.34 O ATOM 0 H GLY A 106 -2.836 -8.799 -12.405 1.00 21.02 H new ATOM 0 HA2 GLY A 106 -1.595 -6.593 -12.885 1.00 21.11 H new ATOM 0 HA3 GLY A 106 -0.187 -7.477 -12.330 1.00 21.11 H new ATOM 1589 N ILE A 107 -0.189 -7.443 -15.013 1.00 2.12 N ATOM 1590 CA ILE A 107 0.112 -7.863 -16.379 1.00 75.45 C ATOM 1591 C ILE A 107 1.373 -8.735 -16.409 1.00 75.44 C ATOM 1592 O ILE A 107 1.415 -9.770 -17.081 1.00 51.52 O ATOM 1593 CB ILE A 107 0.304 -6.638 -17.311 1.00 41.05 C ATOM 1594 CG1 ILE A 107 -0.901 -5.685 -17.193 1.00 11.32 C ATOM 1595 CG2 ILE A 107 0.501 -7.087 -18.760 1.00 12.23 C ATOM 1596 CD1 ILE A 107 -0.827 -4.477 -18.107 1.00 12.54 C ATOM 0 H ILE A 107 0.248 -6.562 -14.743 1.00 2.12 H new ATOM 0 HA ILE A 107 -0.736 -8.446 -16.740 1.00 75.45 H new ATOM 0 HB ILE A 107 1.200 -6.102 -17.000 1.00 41.05 H new ATOM 0 HG12 ILE A 107 -1.813 -6.240 -17.415 1.00 11.32 H new ATOM 0 HG13 ILE A 107 -0.980 -5.342 -16.161 1.00 11.32 H new ATOM 0 HG21 ILE A 107 0.634 -6.213 -19.397 1.00 12.23 H new ATOM 0 HG22 ILE A 107 1.384 -7.722 -18.827 1.00 12.23 H new ATOM 0 HG23 ILE A 107 -0.374 -7.646 -19.090 1.00 12.23 H new ATOM 0 HD11 ILE A 107 -1.712 -3.857 -17.963 1.00 12.54 H new ATOM 0 HD12 ILE A 107 0.065 -3.896 -17.871 1.00 12.54 H new ATOM 0 HD13 ILE A 107 -0.781 -4.808 -19.144 1.00 12.54 H new ATOM 1608 N ILE A 108 2.409 -8.314 -15.678 1.00 31.11 N ATOM 1609 CA ILE A 108 3.622 -9.136 -15.541 1.00 40.24 C ATOM 1610 C ILE A 108 3.406 -10.291 -14.551 1.00 4.03 C ATOM 1611 O ILE A 108 3.917 -11.400 -14.744 1.00 51.45 O ATOM 1612 CB ILE A 108 4.864 -8.284 -15.142 1.00 21.24 C ATOM 1613 CG1 ILE A 108 5.418 -7.524 -16.367 1.00 21.13 C ATOM 1614 CG2 ILE A 108 5.961 -9.147 -14.509 1.00 70.31 C ATOM 1615 CD1 ILE A 108 4.431 -6.575 -17.022 1.00 35.21 C ATOM 0 H ILE A 108 2.437 -7.425 -15.179 1.00 31.11 H new ATOM 0 HA ILE A 108 3.826 -9.566 -16.522 1.00 40.24 H new ATOM 0 HB ILE A 108 4.539 -7.559 -14.396 1.00 21.24 H new ATOM 0 HG12 ILE A 108 6.297 -6.958 -16.059 1.00 21.13 H new ATOM 0 HG13 ILE A 108 5.750 -8.250 -17.109 1.00 21.13 H new ATOM 0 HG21 ILE A 108 6.811 -8.518 -14.244 1.00 70.31 H new ATOM 0 HG22 ILE A 108 5.572 -9.629 -13.612 1.00 70.31 H new ATOM 0 HG23 ILE A 108 6.281 -9.908 -15.220 1.00 70.31 H new ATOM 0 HD11 ILE A 108 4.906 -6.086 -17.872 1.00 35.21 H new ATOM 0 HD12 ILE A 108 3.561 -7.135 -17.365 1.00 35.21 H new ATOM 0 HD13 ILE A 108 4.116 -5.822 -16.300 1.00 35.21 H new