USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 872 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 12 SER OG : rot -81:sc= 1.94 USER MOD Set 1.2: A 116 THR OG1 : rot -134:sc= 0.857 USER MOD Set 2.1: A 106 THR OG1 : rot -144:sc= 0.635 USER MOD Set 2.2: A 111 HIS :FLIP no HD1:sc= -2.81 F(o=-3.4!,f=-2.2) USER MOD Set 3.1: A 13 HIS : no HE2:sc= 0.423 K(o=1.8,f=-7.3!) USER MOD Set 3.2: A 69 SER OG : rot 131:sc= 1.34 USER MOD Set 4.1: A 20 GLN : amide:sc= 0.802 K(o=2.9,f=-7.7!) USER MOD Set 4.2: A 35 THR OG1 : rot -124:sc= 1.06 USER MOD Set 4.3: A 36 LYS NZ :NH3+ -149:sc= 0.995 (180deg=-2.39!) USER MOD Single : A 11 CYS SG : rot 150:sc= -2.44! USER MOD Single : A 17 LYS NZ :NH3+ 174:sc= 1.28 (180deg=1.14) USER MOD Single : A 18 HIS : no HE2:sc= -0.449 K(o=-0.45,f=-9.2!) USER MOD Single : A 19 SER OG : rot 180:sc= -2.06! USER MOD Single : A 21 SER OG : rot 121:sc= -0.153 USER MOD Single : A 25 SER OG : rot 180:sc= -0.342 USER MOD Single : A 26 SER OG : rot 150:sc= 1.02 USER MOD Single : A 29 GLN : amide:sc= -0.485 K(o=-0.49,f=-12!) USER MOD Single : A 31 LYS NZ :NH3+ -104:sc= 1.2 (180deg=-0.482) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.00452 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot -88:sc= 0.698 USER MOD Single : A 48 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.13) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -167:sc= 1.24 (180deg=0.568) USER MOD Single : A 52 SER OG : rot 63:sc= 1.24 USER MOD Single : A 59 SER OG : rot -162:sc= 1.27 USER MOD Single : A 62 SER OG : rot 83:sc= -0.99! USER MOD Single : A 63 GLN : amide:sc= 0.965 K(o=0.97,f=0) USER MOD Single : A 65 SER OG : rot -160:sc= 0.433 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.28) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.0204 X(o=-0.02,f=-0.02) USER MOD Single : A 86 LYS NZ :NH3+ 170:sc= 1.12 (180deg=0.94) USER MOD Single : A 92 SER OG : rot 67:sc= 0.767 USER MOD Single : A 97 THR OG1 : rot -1:sc= 1.12 USER MOD Single : A 100 MET CE :methyl -175:sc= -1.23 (180deg=-1.27) USER MOD Single : A 101 SER OG : rot 80:sc= -1.95! USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 71 N PRO A 6 8.745 -15.667 6.676 1.00 54.34 N ATOM 72 CA PRO A 6 8.494 -16.446 5.487 1.00 53.31 C ATOM 73 C PRO A 6 9.337 -16.015 4.286 1.00 1.40 C ATOM 74 O PRO A 6 10.033 -14.992 4.319 1.00 41.23 O ATOM 75 CB PRO A 6 7.022 -16.146 5.220 1.00 13.21 C ATOM 76 CG PRO A 6 6.769 -14.790 5.841 1.00 11.03 C ATOM 77 CD PRO A 6 7.998 -14.418 6.640 1.00 21.34 C ATOM 0 HA PRO A 6 8.742 -17.498 5.628 1.00 53.31 H new ATOM 0 HB2 PRO A 6 6.811 -16.134 4.151 1.00 13.21 H new ATOM 0 HB3 PRO A 6 6.379 -16.907 5.663 1.00 13.21 H new ATOM 0 HG2 PRO A 6 6.574 -14.045 5.069 1.00 11.03 H new ATOM 0 HG3 PRO A 6 5.889 -14.821 6.484 1.00 11.03 H new ATOM 0 HD2 PRO A 6 8.566 -13.620 6.162 1.00 21.34 H new ATOM 0 HD3 PRO A 6 7.741 -14.071 7.641 1.00 21.34 H new ATOM 85 N ALA A 7 9.263 -16.807 3.232 1.00 64.21 N ATOM 86 CA ALA A 7 9.955 -16.518 1.996 1.00 15.33 C ATOM 87 C ALA A 7 8.983 -15.919 0.987 1.00 33.32 C ATOM 88 O ALA A 7 9.385 -15.259 0.030 1.00 33.21 O ATOM 89 CB ALA A 7 10.595 -17.781 1.440 1.00 50.03 C ATOM 0 H ALA A 7 8.719 -17.670 3.212 1.00 64.21 H new ATOM 0 HA ALA A 7 10.746 -15.794 2.192 1.00 15.33 H new ATOM 0 HB1 ALA A 7 11.112 -17.547 0.509 1.00 50.03 H new ATOM 0 HB2 ALA A 7 11.309 -18.176 2.163 1.00 50.03 H new ATOM 0 HB3 ALA A 7 9.823 -18.526 1.249 1.00 50.03 H new ATOM 95 N ARG A 8 7.702 -16.162 1.212 1.00 44.42 N ATOM 96 CA ARG A 8 6.642 -15.624 0.373 1.00 43.54 C ATOM 97 C ARG A 8 5.475 -15.213 1.243 1.00 15.13 C ATOM 98 O ARG A 8 5.085 -15.951 2.155 1.00 73.54 O ATOM 99 CB ARG A 8 6.167 -16.658 -0.648 1.00 2.55 C ATOM 100 CG ARG A 8 7.230 -17.111 -1.630 1.00 12.01 C ATOM 101 CD ARG A 8 6.703 -18.215 -2.521 1.00 32.12 C ATOM 102 NE ARG A 8 6.190 -19.336 -1.736 1.00 40.43 N ATOM 103 CZ ARG A 8 5.954 -20.556 -2.220 1.00 45.44 C ATOM 104 NH1 ARG A 8 6.135 -20.813 -3.509 1.00 32.43 N ATOM 105 NH2 ARG A 8 5.524 -21.515 -1.413 1.00 24.33 N ATOM 0 H ARG A 8 7.367 -16.739 1.983 1.00 44.42 H new ATOM 0 HA ARG A 8 7.036 -14.762 -0.166 1.00 43.54 H new ATOM 0 HB2 ARG A 8 5.790 -17.530 -0.114 1.00 2.55 H new ATOM 0 HB3 ARG A 8 5.330 -16.239 -1.207 1.00 2.55 H new ATOM 0 HG2 ARG A 8 7.551 -16.267 -2.240 1.00 12.01 H new ATOM 0 HG3 ARG A 8 8.107 -17.463 -1.087 1.00 12.01 H new ATOM 0 HD2 ARG A 8 5.911 -17.823 -3.159 1.00 32.12 H new ATOM 0 HD3 ARG A 8 7.499 -18.564 -3.179 1.00 32.12 H new ATOM 0 HE ARG A 8 5.999 -19.174 -0.747 1.00 40.43 H new ATOM 0 HH11 ARG A 8 6.456 -20.075 -4.136 1.00 32.43 H new ATOM 0 HH12 ARG A 8 5.953 -21.748 -3.873 1.00 32.43 H new ATOM 0 HH21 ARG A 8 5.374 -21.319 -0.423 1.00 24.33 H new ATOM 0 HH22 ARG A 8 5.343 -22.449 -1.782 1.00 24.33 H new ATOM 119 N VAL A 9 4.923 -14.047 0.979 1.00 44.44 N ATOM 120 CA VAL A 9 3.800 -13.552 1.756 1.00 14.34 C ATOM 121 C VAL A 9 2.636 -13.178 0.868 1.00 4.55 C ATOM 122 O VAL A 9 2.822 -12.625 -0.221 1.00 31.35 O ATOM 123 CB VAL A 9 4.178 -12.319 2.621 1.00 13.04 C ATOM 124 CG1 VAL A 9 5.147 -12.706 3.714 1.00 42.24 C ATOM 125 CG2 VAL A 9 4.766 -11.205 1.760 1.00 73.35 C ATOM 0 H VAL A 9 5.232 -13.423 0.233 1.00 44.44 H new ATOM 0 HA VAL A 9 3.513 -14.370 2.416 1.00 14.34 H new ATOM 0 HB VAL A 9 3.265 -11.946 3.085 1.00 13.04 H new ATOM 0 HG11 VAL A 9 5.397 -11.826 4.307 1.00 42.24 H new ATOM 0 HG12 VAL A 9 4.689 -13.458 4.356 1.00 42.24 H new ATOM 0 HG13 VAL A 9 6.055 -13.113 3.268 1.00 42.24 H new ATOM 0 HG21 VAL A 9 5.022 -10.354 2.391 1.00 73.35 H new ATOM 0 HG22 VAL A 9 5.663 -11.568 1.259 1.00 73.35 H new ATOM 0 HG23 VAL A 9 4.033 -10.896 1.014 1.00 73.35 H new ATOM 135 N ARG A 10 1.442 -13.489 1.325 1.00 40.31 N ATOM 136 CA ARG A 10 0.244 -13.093 0.624 1.00 31.23 C ATOM 137 C ARG A 10 -0.271 -11.822 1.256 1.00 31.32 C ATOM 138 O ARG A 10 -0.738 -11.836 2.397 1.00 24.03 O ATOM 139 CB ARG A 10 -0.835 -14.171 0.711 1.00 32.43 C ATOM 140 CG ARG A 10 -2.002 -13.906 -0.215 1.00 11.51 C ATOM 141 CD ARG A 10 -3.273 -14.598 0.239 1.00 64.02 C ATOM 142 NE ARG A 10 -4.353 -14.421 -0.738 1.00 61.04 N ATOM 143 CZ ARG A 10 -4.973 -13.260 -0.990 1.00 54.20 C ATOM 144 NH1 ARG A 10 -4.676 -12.166 -0.295 1.00 52.14 N ATOM 145 NH2 ARG A 10 -5.905 -13.203 -1.925 1.00 4.13 N ATOM 0 H ARG A 10 1.277 -14.017 2.182 1.00 40.31 H new ATOM 0 HA ARG A 10 0.482 -12.942 -0.429 1.00 31.23 H new ATOM 0 HB2 ARG A 10 -0.396 -15.139 0.468 1.00 32.43 H new ATOM 0 HB3 ARG A 10 -1.198 -14.234 1.737 1.00 32.43 H new ATOM 0 HG2 ARG A 10 -2.178 -12.832 -0.274 1.00 11.51 H new ATOM 0 HG3 ARG A 10 -1.748 -14.243 -1.220 1.00 11.51 H new ATOM 0 HD2 ARG A 10 -3.080 -15.661 0.382 1.00 64.02 H new ATOM 0 HD3 ARG A 10 -3.583 -14.197 1.204 1.00 64.02 H new ATOM 0 HE ARG A 10 -4.654 -15.242 -1.264 1.00 61.04 H new ATOM 0 HH11 ARG A 10 -3.969 -12.205 0.439 1.00 52.14 H new ATOM 0 HH12 ARG A 10 -5.155 -11.288 -0.496 1.00 52.14 H new ATOM 0 HH21 ARG A 10 -6.150 -14.041 -2.452 1.00 4.13 H new ATOM 0 HH22 ARG A 10 -6.379 -12.321 -2.119 1.00 4.13 H new ATOM 159 N CYS A 11 -0.179 -10.726 0.544 1.00 63.52 N ATOM 160 CA CYS A 11 -0.568 -9.459 1.104 1.00 34.22 C ATOM 161 C CYS A 11 -1.272 -8.575 0.095 1.00 41.14 C ATOM 162 O CYS A 11 -1.113 -8.730 -1.120 1.00 2.34 O ATOM 163 CB CYS A 11 0.658 -8.741 1.678 1.00 54.20 C ATOM 164 SG CYS A 11 2.018 -8.543 0.509 1.00 11.21 S ATOM 0 H CYS A 11 0.159 -10.687 -0.417 1.00 63.52 H new ATOM 0 HA CYS A 11 -1.280 -9.661 1.904 1.00 34.22 H new ATOM 0 HB2 CYS A 11 0.354 -7.757 2.034 1.00 54.20 H new ATOM 0 HB3 CYS A 11 1.017 -9.296 2.544 1.00 54.20 H new ATOM 0 HG CYS A 11 2.683 -7.463 0.795 1.00 11.21 H new ATOM 170 N SER A 12 -2.058 -7.666 0.611 1.00 61.01 N ATOM 171 CA SER A 12 -2.760 -6.702 -0.185 1.00 62.24 C ATOM 172 C SER A 12 -2.032 -5.359 -0.040 1.00 22.22 C ATOM 173 O SER A 12 -1.385 -5.118 0.986 1.00 11.40 O ATOM 174 CB SER A 12 -4.198 -6.590 0.321 1.00 34.00 C ATOM 175 OG SER A 12 -4.711 -7.873 0.682 1.00 53.33 O ATOM 0 H SER A 12 -2.229 -7.576 1.613 1.00 61.01 H new ATOM 0 HA SER A 12 -2.785 -6.997 -1.234 1.00 62.24 H new ATOM 0 HB2 SER A 12 -4.234 -5.924 1.183 1.00 34.00 H new ATOM 0 HB3 SER A 12 -4.826 -6.146 -0.451 1.00 34.00 H new ATOM 0 HG SER A 12 -5.007 -8.346 -0.124 1.00 53.33 H new ATOM 181 N HIS A 13 -2.125 -4.488 -1.037 1.00 52.03 N ATOM 182 CA HIS A 13 -1.387 -3.226 -0.980 1.00 44.01 C ATOM 183 C HIS A 13 -2.129 -2.062 -1.652 1.00 70.54 C ATOM 184 O HIS A 13 -2.596 -2.169 -2.789 1.00 2.53 O ATOM 185 CB HIS A 13 0.030 -3.393 -1.570 1.00 2.23 C ATOM 186 CG HIS A 13 0.086 -3.767 -3.034 1.00 61.44 C ATOM 187 ND1 HIS A 13 1.105 -3.370 -3.868 1.00 52.31 N ATOM 188 CD2 HIS A 13 -0.744 -4.514 -3.804 1.00 23.13 C ATOM 189 CE1 HIS A 13 0.902 -3.850 -5.075 1.00 33.43 C ATOM 190 NE2 HIS A 13 -0.210 -4.546 -5.067 1.00 13.33 N ATOM 0 H HIS A 13 -2.688 -4.623 -1.876 1.00 52.03 H new ATOM 0 HA HIS A 13 -1.301 -2.965 0.075 1.00 44.01 H new ATOM 0 HB2 HIS A 13 0.575 -2.459 -1.430 1.00 2.23 H new ATOM 0 HB3 HIS A 13 0.555 -4.157 -0.997 1.00 2.23 H new ATOM 0 HD1 HIS A 13 1.898 -2.791 -3.592 1.00 52.31 H new ATOM 0 HD2 HIS A 13 -1.656 -4.994 -3.482 1.00 23.13 H new ATOM 0 HE1 HIS A 13 1.544 -3.697 -5.930 1.00 33.43 H new ATOM 199 N LEU A 14 -2.218 -0.955 -0.929 1.00 2.44 N ATOM 200 CA LEU A 14 -2.868 0.263 -1.411 1.00 23.21 C ATOM 201 C LEU A 14 -1.813 1.366 -1.593 1.00 23.53 C ATOM 202 O LEU A 14 -0.860 1.440 -0.820 1.00 24.32 O ATOM 203 CB LEU A 14 -3.961 0.689 -0.397 1.00 30.12 C ATOM 204 CG LEU A 14 -4.857 1.882 -0.778 1.00 35.51 C ATOM 205 CD1 LEU A 14 -6.193 1.781 -0.059 1.00 13.23 C ATOM 206 CD2 LEU A 14 -4.188 3.200 -0.420 1.00 21.22 C ATOM 0 H LEU A 14 -1.840 -0.872 0.015 1.00 2.44 H new ATOM 0 HA LEU A 14 -3.343 0.085 -2.376 1.00 23.21 H new ATOM 0 HB2 LEU A 14 -4.605 -0.171 -0.216 1.00 30.12 H new ATOM 0 HB3 LEU A 14 -3.470 0.925 0.547 1.00 30.12 H new ATOM 0 HG LEU A 14 -5.018 1.853 -1.856 1.00 35.51 H new ATOM 0 HD11 LEU A 14 -6.820 2.629 -0.335 1.00 13.23 H new ATOM 0 HD12 LEU A 14 -6.691 0.854 -0.344 1.00 13.23 H new ATOM 0 HD13 LEU A 14 -6.028 1.787 1.018 1.00 13.23 H new ATOM 0 HD21 LEU A 14 -4.841 4.027 -0.699 1.00 21.22 H new ATOM 0 HD22 LEU A 14 -3.999 3.233 0.653 1.00 21.22 H new ATOM 0 HD23 LEU A 14 -3.243 3.286 -0.957 1.00 21.22 H new ATOM 218 N LEU A 15 -1.975 2.201 -2.621 1.00 32.03 N ATOM 219 CA LEU A 15 -1.011 3.273 -2.902 1.00 74.32 C ATOM 220 C LEU A 15 -1.699 4.610 -3.151 1.00 54.31 C ATOM 221 O LEU A 15 -2.609 4.704 -3.969 1.00 63.31 O ATOM 222 CB LEU A 15 -0.154 2.915 -4.125 1.00 21.11 C ATOM 223 CG LEU A 15 0.714 4.051 -4.701 1.00 0.54 C ATOM 224 CD1 LEU A 15 1.752 4.520 -3.691 1.00 73.03 C ATOM 225 CD2 LEU A 15 1.384 3.611 -5.994 1.00 43.34 C ATOM 0 H LEU A 15 -2.760 2.158 -3.271 1.00 32.03 H new ATOM 0 HA LEU A 15 -0.379 3.371 -2.019 1.00 74.32 H new ATOM 0 HB2 LEU A 15 0.501 2.087 -3.854 1.00 21.11 H new ATOM 0 HB3 LEU A 15 -0.815 2.555 -4.913 1.00 21.11 H new ATOM 0 HG LEU A 15 0.058 4.893 -4.921 1.00 0.54 H new ATOM 0 HD11 LEU A 15 2.348 5.321 -4.127 1.00 73.03 H new ATOM 0 HD12 LEU A 15 1.249 4.888 -2.796 1.00 73.03 H new ATOM 0 HD13 LEU A 15 2.403 3.687 -3.425 1.00 73.03 H new ATOM 0 HD21 LEU A 15 1.992 4.427 -6.385 1.00 43.34 H new ATOM 0 HD22 LEU A 15 2.019 2.747 -5.799 1.00 43.34 H new ATOM 0 HD23 LEU A 15 0.622 3.344 -6.726 1.00 43.34 H new ATOM 237 N VAL A 16 -1.246 5.637 -2.444 1.00 65.13 N ATOM 238 CA VAL A 16 -1.742 6.994 -2.640 1.00 3.11 C ATOM 239 C VAL A 16 -0.570 7.943 -2.915 1.00 74.11 C ATOM 240 O VAL A 16 0.418 7.974 -2.158 1.00 13.51 O ATOM 241 CB VAL A 16 -2.549 7.505 -1.416 1.00 54.50 C ATOM 242 CG1 VAL A 16 -2.978 8.953 -1.615 1.00 2.34 C ATOM 243 CG2 VAL A 16 -3.766 6.630 -1.175 1.00 33.31 C ATOM 0 H VAL A 16 -0.529 5.555 -1.723 1.00 65.13 H new ATOM 0 HA VAL A 16 -2.416 6.974 -3.496 1.00 3.11 H new ATOM 0 HB VAL A 16 -1.901 7.453 -0.541 1.00 54.50 H new ATOM 0 HG11 VAL A 16 -3.542 9.288 -0.744 1.00 2.34 H new ATOM 0 HG12 VAL A 16 -2.095 9.580 -1.739 1.00 2.34 H new ATOM 0 HG13 VAL A 16 -3.604 9.028 -2.504 1.00 2.34 H new ATOM 0 HG21 VAL A 16 -4.318 7.004 -0.313 1.00 33.31 H new ATOM 0 HG22 VAL A 16 -4.409 6.651 -2.055 1.00 33.31 H new ATOM 0 HG23 VAL A 16 -3.446 5.606 -0.984 1.00 33.31 H new ATOM 253 N LYS A 17 -0.672 8.697 -4.001 1.00 41.11 N ATOM 254 CA LYS A 17 0.368 9.639 -4.389 1.00 44.33 C ATOM 255 C LYS A 17 0.123 11.022 -3.791 1.00 53.35 C ATOM 256 O LYS A 17 -0.903 11.268 -3.161 1.00 22.54 O ATOM 257 CB LYS A 17 0.468 9.732 -5.910 1.00 45.22 C ATOM 258 CG LYS A 17 1.157 8.545 -6.559 1.00 71.15 C ATOM 259 CD LYS A 17 0.978 8.569 -8.063 1.00 61.02 C ATOM 260 CE LYS A 17 1.839 7.526 -8.751 1.00 72.02 C ATOM 261 NZ LYS A 17 1.384 7.275 -10.140 1.00 63.31 N ATOM 0 H LYS A 17 -1.472 8.673 -4.634 1.00 41.11 H new ATOM 0 HA LYS A 17 1.313 9.266 -3.995 1.00 44.33 H new ATOM 0 HB2 LYS A 17 -0.536 9.827 -6.324 1.00 45.22 H new ATOM 0 HB3 LYS A 17 1.009 10.641 -6.173 1.00 45.22 H new ATOM 0 HG2 LYS A 17 2.219 8.559 -6.315 1.00 71.15 H new ATOM 0 HG3 LYS A 17 0.749 7.618 -6.155 1.00 71.15 H new ATOM 0 HD2 LYS A 17 -0.070 8.393 -8.307 1.00 61.02 H new ATOM 0 HD3 LYS A 17 1.232 9.558 -8.443 1.00 61.02 H new ATOM 0 HE2 LYS A 17 2.877 7.859 -8.762 1.00 72.02 H new ATOM 0 HE3 LYS A 17 1.809 6.596 -8.184 1.00 72.02 H new ATOM 0 HZ1 LYS A 17 2.053 6.635 -10.614 1.00 63.31 H new ATOM 0 HZ2 LYS A 17 0.440 6.839 -10.123 1.00 63.31 H new ATOM 0 HZ3 LYS A 17 1.340 8.175 -10.659 1.00 63.31 H new ATOM 275 N HIS A 18 1.089 11.911 -3.983 1.00 21.23 N ATOM 276 CA HIS A 18 1.034 13.278 -3.457 1.00 5.51 C ATOM 277 C HIS A 18 1.952 14.168 -4.274 1.00 43.33 C ATOM 278 O HIS A 18 2.618 13.681 -5.188 1.00 1.02 O ATOM 279 CB HIS A 18 1.439 13.337 -1.957 1.00 23.35 C ATOM 280 CG HIS A 18 2.061 12.076 -1.410 1.00 0.12 C ATOM 281 ND1 HIS A 18 3.403 11.773 -1.518 1.00 55.14 N ATOM 282 CD2 HIS A 18 1.502 11.036 -0.751 1.00 31.14 C ATOM 283 CE1 HIS A 18 3.636 10.607 -0.954 1.00 45.21 C ATOM 284 NE2 HIS A 18 2.499 10.139 -0.480 1.00 3.42 N ATOM 0 H HIS A 18 1.939 11.708 -4.510 1.00 21.23 H new ATOM 0 HA HIS A 18 0.005 13.629 -3.534 1.00 5.51 H new ATOM 0 HB2 HIS A 18 2.141 14.159 -1.819 1.00 23.35 H new ATOM 0 HB3 HIS A 18 0.553 13.572 -1.367 1.00 23.35 H new ATOM 0 HD1 HIS A 18 4.106 12.362 -1.966 1.00 55.14 H new ATOM 0 HD2 HIS A 18 0.460 10.932 -0.487 1.00 31.14 H new ATOM 0 HE1 HIS A 18 4.596 10.117 -0.890 1.00 45.21 H new ATOM 293 N SER A 19 1.986 15.465 -3.952 1.00 53.45 N ATOM 294 CA SER A 19 2.870 16.403 -4.642 1.00 2.44 C ATOM 295 C SER A 19 4.313 15.925 -4.529 1.00 64.12 C ATOM 296 O SER A 19 5.100 16.016 -5.480 1.00 34.53 O ATOM 297 CB SER A 19 2.718 17.804 -4.044 1.00 32.23 C ATOM 298 OG SER A 19 2.884 17.774 -2.633 1.00 53.23 O ATOM 0 H SER A 19 1.413 15.886 -3.220 1.00 53.45 H new ATOM 0 HA SER A 19 2.597 16.448 -5.696 1.00 2.44 H new ATOM 0 HB2 SER A 19 3.455 18.475 -4.487 1.00 32.23 H new ATOM 0 HB3 SER A 19 1.734 18.204 -4.290 1.00 32.23 H new ATOM 0 HG SER A 19 2.784 18.680 -2.273 1.00 53.23 H new ATOM 304 N GLN A 20 4.643 15.412 -3.354 1.00 33.23 N ATOM 305 CA GLN A 20 5.936 14.819 -3.104 1.00 23.41 C ATOM 306 C GLN A 20 5.951 13.406 -3.661 1.00 12.13 C ATOM 307 O GLN A 20 5.464 12.481 -3.016 1.00 32.13 O ATOM 308 CB GLN A 20 6.219 14.772 -1.602 1.00 2.35 C ATOM 309 CG GLN A 20 6.269 16.129 -0.930 1.00 21.51 C ATOM 310 CD GLN A 20 6.386 16.022 0.578 1.00 13.44 C ATOM 311 OE1 GLN A 20 6.937 15.055 1.110 1.00 2.31 O ATOM 312 NE2 GLN A 20 5.867 17.003 1.274 1.00 54.44 N ATOM 0 H GLN A 20 4.017 15.398 -2.549 1.00 33.23 H new ATOM 0 HA GLN A 20 6.704 15.422 -3.589 1.00 23.41 H new ATOM 0 HB2 GLN A 20 5.450 14.169 -1.119 1.00 2.35 H new ATOM 0 HB3 GLN A 20 7.170 14.265 -1.440 1.00 2.35 H new ATOM 0 HG2 GLN A 20 7.117 16.693 -1.319 1.00 21.51 H new ATOM 0 HG3 GLN A 20 5.370 16.690 -1.183 1.00 21.51 H new ATOM 0 HE21 GLN A 20 5.420 17.786 0.797 1.00 54.44 H new ATOM 0 HE22 GLN A 20 5.910 16.984 2.293 1.00 54.44 H new ATOM 321 N SER A 21 6.458 13.254 -4.866 1.00 2.12 N ATOM 322 CA SER A 21 6.536 11.959 -5.516 1.00 41.22 C ATOM 323 C SER A 21 7.240 12.101 -6.853 1.00 11.14 C ATOM 324 O SER A 21 7.457 13.219 -7.337 1.00 32.13 O ATOM 325 CB SER A 21 5.124 11.366 -5.724 1.00 24.42 C ATOM 326 OG SER A 21 5.183 10.065 -6.302 1.00 71.04 O ATOM 0 H SER A 21 6.828 14.023 -5.424 1.00 2.12 H new ATOM 0 HA SER A 21 7.103 11.281 -4.877 1.00 41.22 H new ATOM 0 HB2 SER A 21 4.605 11.317 -4.767 1.00 24.42 H new ATOM 0 HB3 SER A 21 4.543 12.025 -6.369 1.00 24.42 H new ATOM 0 HG SER A 21 4.748 9.422 -5.705 1.00 71.04 H new ATOM 332 N ARG A 22 7.590 10.977 -7.450 1.00 32.21 N ATOM 333 CA ARG A 22 8.227 10.969 -8.750 1.00 14.14 C ATOM 334 C ARG A 22 7.204 11.306 -9.828 1.00 22.43 C ATOM 335 O ARG A 22 7.560 11.661 -10.951 1.00 5.11 O ATOM 336 CB ARG A 22 8.863 9.607 -9.026 1.00 4.53 C ATOM 337 CG ARG A 22 7.875 8.454 -9.043 1.00 50.32 C ATOM 338 CD ARG A 22 8.581 7.135 -9.260 1.00 51.54 C ATOM 339 NE ARG A 22 7.648 6.012 -9.331 1.00 62.34 N ATOM 340 CZ ARG A 22 7.935 4.776 -8.920 1.00 54.21 C ATOM 341 NH1 ARG A 22 9.087 4.530 -8.301 1.00 74.23 N ATOM 342 NH2 ARG A 22 7.057 3.792 -9.097 1.00 11.03 N ATOM 0 H ARG A 22 7.441 10.051 -7.049 1.00 32.21 H new ATOM 0 HA ARG A 22 9.015 11.722 -8.761 1.00 14.14 H new ATOM 0 HB2 ARG A 22 9.377 9.646 -9.987 1.00 4.53 H new ATOM 0 HB3 ARG A 22 9.621 9.411 -8.267 1.00 4.53 H new ATOM 0 HG2 ARG A 22 7.328 8.426 -8.101 1.00 50.32 H new ATOM 0 HG3 ARG A 22 7.141 8.612 -9.833 1.00 50.32 H new ATOM 0 HD2 ARG A 22 9.160 7.183 -10.182 1.00 51.54 H new ATOM 0 HD3 ARG A 22 9.288 6.966 -8.448 1.00 51.54 H new ATOM 0 HE ARG A 22 6.720 6.184 -9.719 1.00 62.34 H new ATOM 0 HH11 ARG A 22 9.751 5.287 -8.140 1.00 74.23 H new ATOM 0 HH12 ARG A 22 9.306 3.584 -7.987 1.00 74.23 H new ATOM 0 HH21 ARG A 22 6.162 3.982 -9.548 1.00 11.03 H new ATOM 0 HH22 ARG A 22 7.279 2.848 -8.782 1.00 11.03 H new ATOM 356 N ARG A 23 5.930 11.190 -9.470 1.00 11.04 N ATOM 357 CA ARG A 23 4.841 11.506 -10.369 1.00 61.24 C ATOM 358 C ARG A 23 3.619 11.956 -9.564 1.00 61.11 C ATOM 359 O ARG A 23 2.905 11.132 -8.992 1.00 15.34 O ATOM 360 CB ARG A 23 4.493 10.293 -11.239 1.00 15.44 C ATOM 361 CG ARG A 23 3.506 10.594 -12.356 1.00 30.10 C ATOM 362 CD ARG A 23 4.067 11.621 -13.327 1.00 13.41 C ATOM 363 NE ARG A 23 3.128 11.935 -14.395 1.00 11.12 N ATOM 364 CZ ARG A 23 3.260 12.953 -15.243 1.00 50.03 C ATOM 365 NH1 ARG A 23 4.310 13.766 -15.156 1.00 0.25 N ATOM 366 NH2 ARG A 23 2.342 13.152 -16.184 1.00 3.33 N ATOM 0 H ARG A 23 5.630 10.874 -8.548 1.00 11.04 H new ATOM 0 HA ARG A 23 5.150 12.318 -11.027 1.00 61.24 H new ATOM 0 HB2 ARG A 23 5.410 9.897 -11.676 1.00 15.44 H new ATOM 0 HB3 ARG A 23 4.079 9.510 -10.604 1.00 15.44 H new ATOM 0 HG2 ARG A 23 3.269 9.675 -12.892 1.00 30.10 H new ATOM 0 HG3 ARG A 23 2.573 10.964 -11.930 1.00 30.10 H new ATOM 0 HD2 ARG A 23 4.317 12.533 -12.785 1.00 13.41 H new ATOM 0 HD3 ARG A 23 4.993 11.243 -13.759 1.00 13.41 H new ATOM 0 HE ARG A 23 2.312 11.333 -14.501 1.00 11.12 H new ATOM 0 HH11 ARG A 23 5.017 13.610 -14.438 1.00 0.25 H new ATOM 0 HH12 ARG A 23 4.407 14.545 -15.808 1.00 0.25 H new ATOM 0 HH21 ARG A 23 1.540 12.526 -16.255 1.00 3.33 H new ATOM 0 HH22 ARG A 23 2.440 13.931 -16.835 1.00 3.33 H new ATOM 380 N PRO A 24 3.376 13.274 -9.500 1.00 5.03 N ATOM 381 CA PRO A 24 2.262 13.847 -8.736 1.00 61.44 C ATOM 382 C PRO A 24 0.929 13.799 -9.500 1.00 44.32 C ATOM 383 O PRO A 24 0.231 14.816 -9.629 1.00 40.45 O ATOM 384 CB PRO A 24 2.711 15.291 -8.527 1.00 32.30 C ATOM 385 CG PRO A 24 3.524 15.611 -9.737 1.00 14.50 C ATOM 386 CD PRO A 24 4.178 14.322 -10.170 1.00 34.22 C ATOM 0 HA PRO A 24 2.067 13.299 -7.814 1.00 61.44 H new ATOM 0 HB2 PRO A 24 1.857 15.962 -8.434 1.00 32.30 H new ATOM 0 HB3 PRO A 24 3.299 15.395 -7.615 1.00 32.30 H new ATOM 0 HG2 PRO A 24 2.895 16.012 -10.532 1.00 14.50 H new ATOM 0 HG3 PRO A 24 4.274 16.369 -9.511 1.00 14.50 H new ATOM 0 HD2 PRO A 24 4.158 14.208 -11.254 1.00 34.22 H new ATOM 0 HD3 PRO A 24 5.223 14.282 -9.864 1.00 34.22 H new ATOM 394 N SER A 25 0.578 12.623 -9.985 1.00 13.33 N ATOM 395 CA SER A 25 -0.663 12.427 -10.711 1.00 71.44 C ATOM 396 C SER A 25 -1.142 10.988 -10.554 1.00 63.13 C ATOM 397 O SER A 25 -0.327 10.057 -10.516 1.00 2.04 O ATOM 398 CB SER A 25 -0.466 12.762 -12.192 1.00 2.34 C ATOM 399 OG SER A 25 0.599 12.007 -12.749 1.00 41.22 O ATOM 0 H SER A 25 1.143 11.779 -9.887 1.00 13.33 H new ATOM 0 HA SER A 25 -1.420 13.094 -10.299 1.00 71.44 H new ATOM 0 HB2 SER A 25 -1.386 12.558 -12.740 1.00 2.34 H new ATOM 0 HB3 SER A 25 -0.258 13.826 -12.303 1.00 2.34 H new ATOM 0 HG SER A 25 0.703 12.238 -13.696 1.00 41.22 H new ATOM 405 N SER A 26 -2.445 10.805 -10.444 1.00 74.20 N ATOM 406 CA SER A 26 -3.010 9.480 -10.315 1.00 22.34 C ATOM 407 C SER A 26 -3.958 9.208 -11.471 1.00 51.50 C ATOM 408 O SER A 26 -4.166 10.073 -12.333 1.00 33.53 O ATOM 409 CB SER A 26 -3.751 9.335 -8.976 1.00 14.20 C ATOM 410 OG SER A 26 -4.877 10.204 -8.909 1.00 32.55 O ATOM 0 H SER A 26 -3.131 11.560 -10.442 1.00 74.20 H new ATOM 0 HA SER A 26 -2.200 8.752 -10.339 1.00 22.34 H new ATOM 0 HB2 SER A 26 -4.078 8.303 -8.849 1.00 14.20 H new ATOM 0 HB3 SER A 26 -3.069 9.557 -8.155 1.00 14.20 H new ATOM 0 HG SER A 26 -5.569 9.800 -8.344 1.00 32.55 H new ATOM 415 N TRP A 27 -4.530 8.017 -11.505 1.00 41.14 N ATOM 416 CA TRP A 27 -5.486 7.672 -12.549 1.00 72.12 C ATOM 417 C TRP A 27 -6.845 8.323 -12.278 1.00 32.22 C ATOM 418 O TRP A 27 -7.754 8.262 -13.107 1.00 42.24 O ATOM 419 CB TRP A 27 -5.627 6.145 -12.697 1.00 44.13 C ATOM 420 CG TRP A 27 -6.109 5.437 -11.460 1.00 10.41 C ATOM 421 CD1 TRP A 27 -5.363 5.087 -10.376 1.00 1.42 C ATOM 422 CD2 TRP A 27 -7.442 4.976 -11.194 1.00 2.03 C ATOM 423 NE1 TRP A 27 -6.149 4.448 -9.450 1.00 62.22 N ATOM 424 CE2 TRP A 27 -7.424 4.366 -9.926 1.00 53.31 C ATOM 425 CE3 TRP A 27 -8.646 5.023 -11.900 1.00 41.32 C ATOM 426 CZ2 TRP A 27 -8.561 3.808 -9.350 1.00 43.11 C ATOM 427 CZ3 TRP A 27 -9.774 4.468 -11.326 1.00 63.25 C ATOM 428 CH2 TRP A 27 -9.724 3.869 -10.062 1.00 70.10 C ATOM 0 H TRP A 27 -4.352 7.275 -10.828 1.00 41.14 H new ATOM 0 HA TRP A 27 -5.104 8.061 -13.493 1.00 72.12 H new ATOM 0 HB2 TRP A 27 -6.319 5.935 -13.513 1.00 44.13 H new ATOM 0 HB3 TRP A 27 -4.661 5.730 -12.984 1.00 44.13 H new ATOM 0 HD1 TRP A 27 -4.307 5.283 -10.262 1.00 1.42 H new ATOM 0 HE1 TRP A 27 -5.830 4.091 -8.549 1.00 62.22 H new ATOM 0 HE3 TRP A 27 -8.695 5.484 -12.875 1.00 41.32 H new ATOM 0 HZ2 TRP A 27 -8.525 3.344 -8.376 1.00 43.11 H new ATOM 0 HZ3 TRP A 27 -10.711 4.497 -11.862 1.00 63.25 H new ATOM 0 HH2 TRP A 27 -10.624 3.446 -9.641 1.00 70.10 H new ATOM 439 N ARG A 28 -6.970 8.957 -11.120 1.00 43.21 N ATOM 440 CA ARG A 28 -8.202 9.635 -10.746 1.00 21.30 C ATOM 441 C ARG A 28 -8.001 11.139 -10.689 1.00 23.14 C ATOM 442 O ARG A 28 -8.737 11.899 -11.319 1.00 4.02 O ATOM 443 CB ARG A 28 -8.712 9.139 -9.396 1.00 53.15 C ATOM 444 CG ARG A 28 -9.276 7.734 -9.418 1.00 15.42 C ATOM 445 CD ARG A 28 -9.841 7.351 -8.063 1.00 44.01 C ATOM 446 NE ARG A 28 -10.850 8.308 -7.601 1.00 74.11 N ATOM 447 CZ ARG A 28 -11.750 8.066 -6.647 1.00 33.11 C ATOM 448 NH1 ARG A 28 -11.772 6.895 -6.031 1.00 52.43 N ATOM 449 NH2 ARG A 28 -12.621 9.008 -6.308 1.00 44.53 N ATOM 0 H ARG A 28 -6.229 9.015 -10.421 1.00 43.21 H new ATOM 0 HA ARG A 28 -8.944 9.406 -11.511 1.00 21.30 H new ATOM 0 HB2 ARG A 28 -7.895 9.178 -8.676 1.00 53.15 H new ATOM 0 HB3 ARG A 28 -9.484 9.822 -9.040 1.00 53.15 H new ATOM 0 HG2 ARG A 28 -10.058 7.664 -10.174 1.00 15.42 H new ATOM 0 HG3 ARG A 28 -8.494 7.029 -9.702 1.00 15.42 H new ATOM 0 HD2 ARG A 28 -10.284 6.357 -8.122 1.00 44.01 H new ATOM 0 HD3 ARG A 28 -9.032 7.297 -7.335 1.00 44.01 H new ATOM 0 HE ARG A 28 -10.865 9.228 -8.042 1.00 74.11 H new ATOM 0 HH11 ARG A 28 -11.099 6.172 -6.285 1.00 52.43 H new ATOM 0 HH12 ARG A 28 -12.462 6.715 -5.302 1.00 52.43 H new ATOM 0 HH21 ARG A 28 -12.601 9.914 -6.777 1.00 44.53 H new ATOM 0 HH22 ARG A 28 -13.311 8.826 -5.579 1.00 44.53 H new ATOM 463 N GLN A 29 -7.009 11.566 -9.934 1.00 22.35 N ATOM 464 CA GLN A 29 -6.736 12.974 -9.768 1.00 20.34 C ATOM 465 C GLN A 29 -5.699 13.433 -10.783 1.00 43.14 C ATOM 466 O GLN A 29 -4.556 12.963 -10.780 1.00 13.25 O ATOM 467 CB GLN A 29 -6.283 13.260 -8.329 1.00 10.21 C ATOM 468 CG GLN A 29 -6.041 14.729 -8.025 1.00 52.11 C ATOM 469 CD GLN A 29 -5.958 15.005 -6.535 1.00 3.42 C ATOM 470 OE1 GLN A 29 -4.891 14.922 -5.931 1.00 31.20 O ATOM 471 NE2 GLN A 29 -7.084 15.334 -5.932 1.00 63.44 N ATOM 0 H GLN A 29 -6.376 10.951 -9.423 1.00 22.35 H new ATOM 0 HA GLN A 29 -7.650 13.540 -9.948 1.00 20.34 H new ATOM 0 HB2 GLN A 29 -7.038 12.879 -7.641 1.00 10.21 H new ATOM 0 HB3 GLN A 29 -5.365 12.705 -8.133 1.00 10.21 H new ATOM 0 HG2 GLN A 29 -5.115 15.048 -8.503 1.00 52.11 H new ATOM 0 HG3 GLN A 29 -6.845 15.324 -8.458 1.00 52.11 H new ATOM 0 HE21 GLN A 29 -7.951 15.393 -6.467 1.00 63.44 H new ATOM 0 HE22 GLN A 29 -7.088 15.530 -4.931 1.00 63.44 H new ATOM 480 N GLU A 30 -6.122 14.341 -11.657 1.00 35.23 N ATOM 481 CA GLU A 30 -5.282 14.866 -12.731 1.00 24.11 C ATOM 482 C GLU A 30 -3.982 15.455 -12.190 1.00 11.14 C ATOM 483 O GLU A 30 -2.889 15.094 -12.635 1.00 13.12 O ATOM 484 CB GLU A 30 -6.050 15.933 -13.507 1.00 54.42 C ATOM 485 CG GLU A 30 -5.301 16.493 -14.698 1.00 10.41 C ATOM 486 CD GLU A 30 -6.024 17.651 -15.334 1.00 52.33 C ATOM 487 OE1 GLU A 30 -7.005 17.417 -16.068 1.00 50.24 O ATOM 488 OE2 GLU A 30 -5.619 18.802 -15.101 1.00 21.20 O ATOM 0 H GLU A 30 -7.062 14.736 -11.641 1.00 35.23 H new ATOM 0 HA GLU A 30 -5.024 14.039 -13.393 1.00 24.11 H new ATOM 0 HB2 GLU A 30 -6.993 15.508 -13.852 1.00 54.42 H new ATOM 0 HB3 GLU A 30 -6.298 16.751 -12.830 1.00 54.42 H new ATOM 0 HG2 GLU A 30 -4.309 16.816 -14.382 1.00 10.41 H new ATOM 0 HG3 GLU A 30 -5.159 15.706 -15.438 1.00 10.41 H new ATOM 495 N LYS A 31 -4.105 16.362 -11.241 1.00 21.01 N ATOM 496 CA LYS A 31 -2.949 16.995 -10.652 1.00 2.32 C ATOM 497 C LYS A 31 -3.011 16.913 -9.136 1.00 35.42 C ATOM 498 O LYS A 31 -3.923 17.452 -8.506 1.00 54.31 O ATOM 499 CB LYS A 31 -2.829 18.460 -11.114 1.00 61.00 C ATOM 500 CG LYS A 31 -4.064 19.313 -10.837 1.00 50.20 C ATOM 501 CD LYS A 31 -3.826 20.780 -11.170 1.00 41.55 C ATOM 502 CE LYS A 31 -3.671 21.012 -12.668 1.00 64.01 C ATOM 503 NZ LYS A 31 -4.937 20.763 -13.408 1.00 10.40 N ATOM 0 H LYS A 31 -4.999 16.676 -10.862 1.00 21.01 H new ATOM 0 HA LYS A 31 -2.060 16.462 -10.989 1.00 2.32 H new ATOM 0 HB2 LYS A 31 -1.970 18.915 -10.620 1.00 61.00 H new ATOM 0 HB3 LYS A 31 -2.625 18.475 -12.185 1.00 61.00 H new ATOM 0 HG2 LYS A 31 -4.903 18.939 -11.424 1.00 50.20 H new ATOM 0 HG3 LYS A 31 -4.342 19.219 -9.787 1.00 50.20 H new ATOM 0 HD2 LYS A 31 -4.659 21.376 -10.796 1.00 41.55 H new ATOM 0 HD3 LYS A 31 -2.930 21.127 -10.656 1.00 41.55 H new ATOM 0 HE2 LYS A 31 -3.345 22.037 -12.844 1.00 64.01 H new ATOM 0 HE3 LYS A 31 -2.890 20.358 -13.057 1.00 64.01 H new ATOM 0 HZ1 LYS A 31 -4.877 19.849 -13.900 1.00 10.40 H new ATOM 0 HZ2 LYS A 31 -5.733 20.745 -12.738 1.00 10.40 H new ATOM 0 HZ3 LYS A 31 -5.087 21.521 -14.104 1.00 10.40 H new ATOM 517 N ILE A 32 -2.062 16.221 -8.552 1.00 3.24 N ATOM 518 CA ILE A 32 -2.017 16.092 -7.119 1.00 24.05 C ATOM 519 C ILE A 32 -1.134 17.181 -6.528 1.00 41.13 C ATOM 520 O ILE A 32 0.088 17.036 -6.435 1.00 15.04 O ATOM 521 CB ILE A 32 -1.511 14.699 -6.681 1.00 63.12 C ATOM 522 CG1 ILE A 32 -2.306 13.601 -7.394 1.00 23.11 C ATOM 523 CG2 ILE A 32 -1.640 14.546 -5.173 1.00 60.33 C ATOM 524 CD1 ILE A 32 -1.860 12.197 -7.050 1.00 55.10 C ATOM 0 H ILE A 32 -1.312 15.740 -9.048 1.00 3.24 H new ATOM 0 HA ILE A 32 -3.034 16.203 -6.743 1.00 24.05 H new ATOM 0 HB ILE A 32 -0.460 14.604 -6.955 1.00 63.12 H new ATOM 0 HG12 ILE A 32 -3.361 13.708 -7.142 1.00 23.11 H new ATOM 0 HG13 ILE A 32 -2.220 13.745 -8.471 1.00 23.11 H new ATOM 0 HG21 ILE A 32 -1.281 13.561 -4.875 1.00 60.33 H new ATOM 0 HG22 ILE A 32 -1.046 15.314 -4.677 1.00 60.33 H new ATOM 0 HG23 ILE A 32 -2.686 14.653 -4.885 1.00 60.33 H new ATOM 0 HD11 ILE A 32 -2.471 11.477 -7.595 1.00 55.10 H new ATOM 0 HD12 ILE A 32 -0.814 12.069 -7.328 1.00 55.10 H new ATOM 0 HD13 ILE A 32 -1.973 12.032 -5.979 1.00 55.10 H new ATOM 536 N THR A 33 -1.756 18.287 -6.182 1.00 1.31 N ATOM 537 CA THR A 33 -1.059 19.421 -5.613 1.00 61.41 C ATOM 538 C THR A 33 -0.957 19.288 -4.100 1.00 54.50 C ATOM 539 O THR A 33 -0.106 19.914 -3.462 1.00 21.22 O ATOM 540 CB THR A 33 -1.780 20.735 -5.967 1.00 72.15 C ATOM 541 OG1 THR A 33 -3.171 20.634 -5.623 1.00 12.53 O ATOM 542 CG2 THR A 33 -1.650 21.036 -7.451 1.00 63.32 C ATOM 0 H THR A 33 -2.761 18.426 -6.287 1.00 1.31 H new ATOM 0 HA THR A 33 -0.054 19.441 -6.035 1.00 61.41 H new ATOM 0 HB THR A 33 -1.318 21.544 -5.401 1.00 72.15 H new ATOM 0 HG1 THR A 33 -3.625 21.473 -5.848 1.00 12.53 H new ATOM 0 HG21 THR A 33 -2.166 21.968 -7.680 1.00 63.32 H new ATOM 0 HG22 THR A 33 -0.596 21.131 -7.712 1.00 63.32 H new ATOM 0 HG23 THR A 33 -2.094 20.224 -8.027 1.00 63.32 H new ATOM 550 N ARG A 34 -1.834 18.471 -3.535 1.00 2.31 N ATOM 551 CA ARG A 34 -1.855 18.234 -2.103 1.00 5.32 C ATOM 552 C ARG A 34 -0.582 17.528 -1.639 1.00 32.43 C ATOM 553 O ARG A 34 -0.116 16.566 -2.268 1.00 3.05 O ATOM 554 CB ARG A 34 -3.109 17.442 -1.702 1.00 12.42 C ATOM 555 CG ARG A 34 -3.392 16.227 -2.571 1.00 52.41 C ATOM 556 CD ARG A 34 -4.675 15.535 -2.145 1.00 32.44 C ATOM 557 NE ARG A 34 -5.122 14.545 -3.129 1.00 4.14 N ATOM 558 CZ ARG A 34 -6.128 13.686 -2.931 1.00 35.51 C ATOM 559 NH1 ARG A 34 -6.794 13.688 -1.781 1.00 34.42 N ATOM 560 NH2 ARG A 34 -6.476 12.837 -3.891 1.00 31.21 N ATOM 0 H ARG A 34 -2.546 17.958 -4.054 1.00 2.31 H new ATOM 0 HA ARG A 34 -1.892 19.201 -1.602 1.00 5.32 H new ATOM 0 HB2 ARG A 34 -3.002 17.116 -0.667 1.00 12.42 H new ATOM 0 HB3 ARG A 34 -3.971 18.108 -1.739 1.00 12.42 H new ATOM 0 HG2 ARG A 34 -3.470 16.533 -3.614 1.00 52.41 H new ATOM 0 HG3 ARG A 34 -2.559 15.527 -2.505 1.00 52.41 H new ATOM 0 HD2 ARG A 34 -4.520 15.045 -1.184 1.00 32.44 H new ATOM 0 HD3 ARG A 34 -5.457 16.280 -2.000 1.00 32.44 H new ATOM 0 HE ARG A 34 -4.634 14.509 -4.024 1.00 4.14 H new ATOM 0 HH11 ARG A 34 -6.539 14.346 -1.045 1.00 34.42 H new ATOM 0 HH12 ARG A 34 -7.560 13.031 -1.634 1.00 34.42 H new ATOM 0 HH21 ARG A 34 -5.976 12.840 -4.780 1.00 31.21 H new ATOM 0 HH22 ARG A 34 -7.243 12.182 -3.739 1.00 31.21 H new ATOM 574 N THR A 35 -0.021 18.022 -0.545 1.00 31.21 N ATOM 575 CA THR A 35 1.218 17.498 0.000 1.00 75.31 C ATOM 576 C THR A 35 1.044 16.081 0.575 1.00 25.14 C ATOM 577 O THR A 35 -0.065 15.533 0.621 1.00 11.21 O ATOM 578 CB THR A 35 1.804 18.449 1.089 1.00 32.04 C ATOM 579 OG1 THR A 35 3.089 17.978 1.528 1.00 60.34 O ATOM 580 CG2 THR A 35 0.868 18.557 2.285 1.00 44.30 C ATOM 0 H THR A 35 -0.414 18.798 -0.012 1.00 31.21 H new ATOM 0 HA THR A 35 1.922 17.438 -0.830 1.00 75.31 H new ATOM 0 HB THR A 35 1.914 19.437 0.641 1.00 32.04 H new ATOM 0 HG1 THR A 35 3.080 17.862 2.501 1.00 60.34 H new ATOM 0 HG21 THR A 35 1.302 19.226 3.028 1.00 44.30 H new ATOM 0 HG22 THR A 35 -0.094 18.952 1.959 1.00 44.30 H new ATOM 0 HG23 THR A 35 0.725 17.570 2.725 1.00 44.30 H new ATOM 588 N LYS A 36 2.153 15.511 1.019 1.00 25.54 N ATOM 589 CA LYS A 36 2.190 14.169 1.570 1.00 50.34 C ATOM 590 C LYS A 36 1.345 14.074 2.837 1.00 3.02 C ATOM 591 O LYS A 36 0.727 13.048 3.106 1.00 55.25 O ATOM 592 CB LYS A 36 3.646 13.784 1.866 1.00 70.13 C ATOM 593 CG LYS A 36 3.833 12.378 2.415 1.00 74.04 C ATOM 594 CD LYS A 36 5.313 12.006 2.547 1.00 72.13 C ATOM 595 CE LYS A 36 5.983 12.628 3.780 1.00 11.13 C ATOM 596 NZ LYS A 36 6.123 14.110 3.694 1.00 61.13 N ATOM 0 H LYS A 36 3.062 15.974 1.006 1.00 25.54 H new ATOM 0 HA LYS A 36 1.771 13.476 0.841 1.00 50.34 H new ATOM 0 HB2 LYS A 36 4.227 13.881 0.949 1.00 70.13 H new ATOM 0 HB3 LYS A 36 4.058 14.496 2.581 1.00 70.13 H new ATOM 0 HG2 LYS A 36 3.352 12.303 3.390 1.00 74.04 H new ATOM 0 HG3 LYS A 36 3.337 11.663 1.758 1.00 74.04 H new ATOM 0 HD2 LYS A 36 5.405 10.921 2.599 1.00 72.13 H new ATOM 0 HD3 LYS A 36 5.844 12.328 1.651 1.00 72.13 H new ATOM 0 HE2 LYS A 36 5.401 12.376 4.666 1.00 11.13 H new ATOM 0 HE3 LYS A 36 6.970 12.184 3.911 1.00 11.13 H new ATOM 0 HZ1 LYS A 36 6.973 14.409 4.213 1.00 61.13 H new ATOM 0 HZ2 LYS A 36 6.208 14.393 2.697 1.00 61.13 H new ATOM 0 HZ3 LYS A 36 5.285 14.563 4.112 1.00 61.13 H new ATOM 610 N GLU A 37 1.305 15.160 3.585 1.00 44.41 N ATOM 611 CA GLU A 37 0.568 15.217 4.841 1.00 12.14 C ATOM 612 C GLU A 37 -0.938 15.150 4.595 1.00 72.52 C ATOM 613 O GLU A 37 -1.681 14.572 5.390 1.00 30.23 O ATOM 614 CB GLU A 37 0.933 16.488 5.624 1.00 14.44 C ATOM 615 CG GLU A 37 2.389 16.544 6.102 1.00 61.14 C ATOM 616 CD GLU A 37 3.393 16.506 4.964 1.00 4.24 C ATOM 617 OE1 GLU A 37 3.502 17.509 4.226 1.00 73.05 O ATOM 618 OE2 GLU A 37 4.072 15.467 4.792 1.00 53.51 O ATOM 0 H GLU A 37 1.781 16.029 3.343 1.00 44.41 H new ATOM 0 HA GLU A 37 0.851 14.351 5.439 1.00 12.14 H new ATOM 0 HB2 GLU A 37 0.737 17.356 4.995 1.00 14.44 H new ATOM 0 HB3 GLU A 37 0.276 16.567 6.490 1.00 14.44 H new ATOM 0 HG2 GLU A 37 2.540 17.455 6.681 1.00 61.14 H new ATOM 0 HG3 GLU A 37 2.577 15.705 6.772 1.00 61.14 H new ATOM 625 N GLU A 38 -1.379 15.728 3.479 1.00 34.34 N ATOM 626 CA GLU A 38 -2.789 15.697 3.099 1.00 41.05 C ATOM 627 C GLU A 38 -3.234 14.259 2.893 1.00 62.43 C ATOM 628 O GLU A 38 -4.308 13.851 3.340 1.00 12.33 O ATOM 629 CB GLU A 38 -3.007 16.489 1.808 1.00 73.22 C ATOM 630 CG GLU A 38 -2.738 17.978 1.934 1.00 72.13 C ATOM 631 CD GLU A 38 -3.788 18.691 2.747 1.00 65.51 C ATOM 632 OE1 GLU A 38 -4.798 19.126 2.167 1.00 4.03 O ATOM 633 OE2 GLU A 38 -3.609 18.823 3.971 1.00 72.04 O ATOM 0 H GLU A 38 -0.778 16.224 2.821 1.00 34.34 H new ATOM 0 HA GLU A 38 -3.377 16.150 3.897 1.00 41.05 H new ATOM 0 HB2 GLU A 38 -2.361 16.080 1.031 1.00 73.22 H new ATOM 0 HB3 GLU A 38 -4.035 16.344 1.476 1.00 73.22 H new ATOM 0 HG2 GLU A 38 -1.762 18.129 2.395 1.00 72.13 H new ATOM 0 HG3 GLU A 38 -2.692 18.420 0.939 1.00 72.13 H new ATOM 640 N ALA A 39 -2.387 13.492 2.229 1.00 42.52 N ATOM 641 CA ALA A 39 -2.666 12.099 1.956 1.00 0.44 C ATOM 642 C ALA A 39 -2.452 11.250 3.200 1.00 30.33 C ATOM 643 O ALA A 39 -3.104 10.230 3.377 1.00 44.23 O ATOM 644 CB ALA A 39 -1.791 11.602 0.818 1.00 52.41 C ATOM 0 H ALA A 39 -1.491 13.818 1.867 1.00 42.52 H new ATOM 0 HA ALA A 39 -3.711 12.010 1.660 1.00 0.44 H new ATOM 0 HB1 ALA A 39 -2.010 10.552 0.622 1.00 52.41 H new ATOM 0 HB2 ALA A 39 -1.992 12.188 -0.079 1.00 52.41 H new ATOM 0 HB3 ALA A 39 -0.742 11.708 1.093 1.00 52.41 H new ATOM 650 N LEU A 40 -1.544 11.690 4.066 1.00 12.31 N ATOM 651 CA LEU A 40 -1.232 10.974 5.294 1.00 1.33 C ATOM 652 C LEU A 40 -2.464 10.877 6.182 1.00 32.45 C ATOM 653 O LEU A 40 -2.713 9.842 6.805 1.00 43.12 O ATOM 654 CB LEU A 40 -0.096 11.674 6.044 1.00 54.10 C ATOM 655 CG LEU A 40 0.440 10.943 7.274 1.00 43.03 C ATOM 656 CD1 LEU A 40 1.075 9.620 6.874 1.00 33.22 C ATOM 657 CD2 LEU A 40 1.438 11.815 8.020 1.00 70.12 C ATOM 0 H LEU A 40 -1.008 12.548 3.936 1.00 12.31 H new ATOM 0 HA LEU A 40 -0.911 9.966 5.032 1.00 1.33 H new ATOM 0 HB2 LEU A 40 0.730 11.831 5.350 1.00 54.10 H new ATOM 0 HB3 LEU A 40 -0.444 12.660 6.354 1.00 54.10 H new ATOM 0 HG LEU A 40 -0.396 10.733 7.942 1.00 43.03 H new ATOM 0 HD11 LEU A 40 1.451 9.113 7.763 1.00 33.22 H new ATOM 0 HD12 LEU A 40 0.330 8.992 6.386 1.00 33.22 H new ATOM 0 HD13 LEU A 40 1.900 9.806 6.186 1.00 33.22 H new ATOM 0 HD21 LEU A 40 1.809 11.278 8.893 1.00 70.12 H new ATOM 0 HD22 LEU A 40 2.272 12.058 7.362 1.00 70.12 H new ATOM 0 HD23 LEU A 40 0.949 12.735 8.341 1.00 70.12 H new ATOM 669 N GLU A 41 -3.234 11.959 6.229 1.00 71.15 N ATOM 670 CA GLU A 41 -4.467 11.985 7.002 1.00 24.12 C ATOM 671 C GLU A 41 -5.476 10.999 6.421 1.00 30.34 C ATOM 672 O GLU A 41 -6.187 10.310 7.158 1.00 3.50 O ATOM 673 CB GLU A 41 -5.058 13.394 7.021 1.00 52.51 C ATOM 674 CG GLU A 41 -4.176 14.425 7.706 1.00 13.21 C ATOM 675 CD GLU A 41 -4.821 15.791 7.759 1.00 2.24 C ATOM 676 OE1 GLU A 41 -5.823 15.957 8.497 1.00 61.23 O ATOM 677 OE2 GLU A 41 -4.336 16.709 7.067 1.00 54.23 O ATOM 0 H GLU A 41 -3.024 12.829 5.740 1.00 71.15 H new ATOM 0 HA GLU A 41 -4.238 11.691 8.026 1.00 24.12 H new ATOM 0 HB2 GLU A 41 -5.243 13.713 5.995 1.00 52.51 H new ATOM 0 HB3 GLU A 41 -6.024 13.365 7.525 1.00 52.51 H new ATOM 0 HG2 GLU A 41 -3.953 14.092 8.720 1.00 13.21 H new ATOM 0 HG3 GLU A 41 -3.226 14.495 7.177 1.00 13.21 H new ATOM 684 N LEU A 42 -5.521 10.927 5.094 1.00 23.22 N ATOM 685 CA LEU A 42 -6.413 10.003 4.403 1.00 0.23 C ATOM 686 C LEU A 42 -5.986 8.572 4.674 1.00 13.22 C ATOM 687 O LEU A 42 -6.806 7.725 5.027 1.00 42.04 O ATOM 688 CB LEU A 42 -6.397 10.268 2.898 1.00 20.00 C ATOM 689 CG LEU A 42 -6.820 11.667 2.460 1.00 25.13 C ATOM 690 CD1 LEU A 42 -6.684 11.810 0.956 1.00 5.51 C ATOM 691 CD2 LEU A 42 -8.249 11.956 2.897 1.00 60.34 C ATOM 0 H LEU A 42 -4.948 11.500 4.474 1.00 23.22 H new ATOM 0 HA LEU A 42 -7.426 10.155 4.776 1.00 0.23 H new ATOM 0 HB2 LEU A 42 -5.389 10.082 2.527 1.00 20.00 H new ATOM 0 HB3 LEU A 42 -7.053 9.544 2.415 1.00 20.00 H new ATOM 0 HG LEU A 42 -6.163 12.393 2.939 1.00 25.13 H new ATOM 0 HD11 LEU A 42 -6.989 12.813 0.657 1.00 5.51 H new ATOM 0 HD12 LEU A 42 -5.646 11.645 0.667 1.00 5.51 H new ATOM 0 HD13 LEU A 42 -7.319 11.075 0.462 1.00 5.51 H new ATOM 0 HD21 LEU A 42 -8.532 12.958 2.575 1.00 60.34 H new ATOM 0 HD22 LEU A 42 -8.922 11.227 2.446 1.00 60.34 H new ATOM 0 HD23 LEU A 42 -8.318 11.890 3.983 1.00 60.34 H new ATOM 703 N ILE A 43 -4.688 8.318 4.507 1.00 13.53 N ATOM 704 CA ILE A 43 -4.105 7.007 4.761 1.00 22.11 C ATOM 705 C ILE A 43 -4.444 6.547 6.169 1.00 44.33 C ATOM 706 O ILE A 43 -4.851 5.406 6.377 1.00 73.40 O ATOM 707 CB ILE A 43 -2.559 7.037 4.579 1.00 22.55 C ATOM 708 CG1 ILE A 43 -2.193 7.282 3.109 1.00 52.55 C ATOM 709 CG2 ILE A 43 -1.915 5.752 5.084 1.00 44.24 C ATOM 710 CD1 ILE A 43 -2.650 6.184 2.171 1.00 60.21 C ATOM 0 H ILE A 43 -4.015 9.016 4.192 1.00 13.53 H new ATOM 0 HA ILE A 43 -4.525 6.307 4.039 1.00 22.11 H new ATOM 0 HB ILE A 43 -2.170 7.861 5.177 1.00 22.55 H new ATOM 0 HG12 ILE A 43 -2.632 8.227 2.788 1.00 52.55 H new ATOM 0 HG13 ILE A 43 -1.111 7.389 3.027 1.00 52.55 H new ATOM 0 HG21 ILE A 43 -0.836 5.806 4.942 1.00 44.24 H new ATOM 0 HG22 ILE A 43 -2.136 5.626 6.144 1.00 44.24 H new ATOM 0 HG23 ILE A 43 -2.312 4.903 4.528 1.00 44.24 H new ATOM 0 HD11 ILE A 43 -2.354 6.430 1.151 1.00 60.21 H new ATOM 0 HD12 ILE A 43 -2.190 5.240 2.464 1.00 60.21 H new ATOM 0 HD13 ILE A 43 -3.735 6.090 2.222 1.00 60.21 H new ATOM 722 N ASN A 44 -4.302 7.461 7.124 1.00 10.30 N ATOM 723 CA ASN A 44 -4.606 7.182 8.523 1.00 50.20 C ATOM 724 C ASN A 44 -6.029 6.656 8.658 1.00 22.34 C ATOM 725 O ASN A 44 -6.267 5.623 9.290 1.00 3.41 O ATOM 726 CB ASN A 44 -4.453 8.456 9.356 1.00 42.51 C ATOM 727 CG ASN A 44 -4.370 8.174 10.840 1.00 32.50 C ATOM 728 OD1 ASN A 44 -5.386 8.088 11.535 1.00 42.13 O ATOM 729 ND2 ASN A 44 -3.159 8.043 11.338 1.00 10.52 N ATOM 0 H ASN A 44 -3.975 8.411 6.951 1.00 10.30 H new ATOM 0 HA ASN A 44 -3.909 6.426 8.886 1.00 50.20 H new ATOM 0 HB2 ASN A 44 -3.555 8.987 9.040 1.00 42.51 H new ATOM 0 HB3 ASN A 44 -5.298 9.116 9.162 1.00 42.51 H new ATOM 0 HD21 ASN A 44 -3.034 7.863 12.334 1.00 10.52 H new ATOM 0 HD22 ASN A 44 -2.345 8.121 10.728 1.00 10.52 H new ATOM 736 N GLY A 45 -6.967 7.365 8.036 1.00 43.33 N ATOM 737 CA GLY A 45 -8.358 6.970 8.080 1.00 31.24 C ATOM 738 C GLY A 45 -8.595 5.623 7.424 1.00 3.53 C ATOM 739 O GLY A 45 -9.296 4.771 7.982 1.00 4.54 O ATOM 0 H GLY A 45 -6.783 8.212 7.499 1.00 43.33 H new ATOM 0 HA2 GLY A 45 -8.689 6.930 9.118 1.00 31.24 H new ATOM 0 HA3 GLY A 45 -8.964 7.726 7.581 1.00 31.24 H new ATOM 743 N TYR A 46 -7.996 5.421 6.248 1.00 73.54 N ATOM 744 CA TYR A 46 -8.143 4.165 5.513 1.00 22.23 C ATOM 745 C TYR A 46 -7.641 2.992 6.345 1.00 3.15 C ATOM 746 O TYR A 46 -8.334 1.987 6.488 1.00 34.44 O ATOM 747 CB TYR A 46 -7.398 4.212 4.168 1.00 60.31 C ATOM 748 CG TYR A 46 -7.870 5.304 3.226 1.00 3.05 C ATOM 749 CD1 TYR A 46 -9.211 5.662 3.152 1.00 21.04 C ATOM 750 CD2 TYR A 46 -6.969 5.975 2.406 1.00 21.14 C ATOM 751 CE1 TYR A 46 -9.638 6.656 2.295 1.00 12.32 C ATOM 752 CE2 TYR A 46 -7.392 6.971 1.545 1.00 23.43 C ATOM 753 CZ TYR A 46 -8.727 7.307 1.495 1.00 53.10 C ATOM 754 OH TYR A 46 -9.153 8.301 0.645 1.00 35.31 O ATOM 0 H TYR A 46 -7.405 6.112 5.785 1.00 73.54 H new ATOM 0 HA TYR A 46 -9.205 4.027 5.310 1.00 22.23 H new ATOM 0 HB2 TYR A 46 -6.334 4.351 4.361 1.00 60.31 H new ATOM 0 HB3 TYR A 46 -7.509 3.248 3.671 1.00 60.31 H new ATOM 0 HD1 TYR A 46 -9.931 5.154 3.776 1.00 21.04 H new ATOM 0 HD2 TYR A 46 -5.922 5.714 2.442 1.00 21.14 H new ATOM 0 HE1 TYR A 46 -10.684 6.922 2.252 1.00 12.32 H new ATOM 0 HE2 TYR A 46 -6.679 7.483 0.915 1.00 23.43 H new ATOM 0 HH TYR A 46 -9.421 7.907 -0.211 1.00 35.31 H new ATOM 764 N ILE A 47 -6.440 3.139 6.906 1.00 43.33 N ATOM 765 CA ILE A 47 -5.844 2.102 7.749 1.00 31.12 C ATOM 766 C ILE A 47 -6.787 1.734 8.883 1.00 61.21 C ATOM 767 O ILE A 47 -7.032 0.554 9.144 1.00 5.02 O ATOM 768 CB ILE A 47 -4.497 2.569 8.352 1.00 53.02 C ATOM 769 CG1 ILE A 47 -3.471 2.813 7.249 1.00 22.30 C ATOM 770 CG2 ILE A 47 -3.969 1.547 9.355 1.00 73.12 C ATOM 771 CD1 ILE A 47 -2.178 3.411 7.751 1.00 52.33 C ATOM 0 H ILE A 47 -5.859 3.970 6.791 1.00 43.33 H new ATOM 0 HA ILE A 47 -5.666 1.233 7.116 1.00 31.12 H new ATOM 0 HB ILE A 47 -4.668 3.508 8.879 1.00 53.02 H new ATOM 0 HG12 ILE A 47 -3.255 1.869 6.749 1.00 22.30 H new ATOM 0 HG13 ILE A 47 -3.904 3.478 6.502 1.00 22.30 H new ATOM 0 HG21 ILE A 47 -3.022 1.896 9.766 1.00 73.12 H new ATOM 0 HG22 ILE A 47 -4.691 1.423 10.162 1.00 73.12 H new ATOM 0 HG23 ILE A 47 -3.817 0.591 8.854 1.00 73.12 H new ATOM 0 HD11 ILE A 47 -1.496 3.557 6.914 1.00 52.33 H new ATOM 0 HD12 ILE A 47 -2.381 4.371 8.226 1.00 52.33 H new ATOM 0 HD13 ILE A 47 -1.723 2.737 8.476 1.00 52.33 H new ATOM 783 N GLN A 48 -7.325 2.752 9.539 1.00 10.52 N ATOM 784 CA GLN A 48 -8.238 2.547 10.647 1.00 60.41 C ATOM 785 C GLN A 48 -9.467 1.761 10.204 1.00 33.23 C ATOM 786 O GLN A 48 -9.791 0.737 10.789 1.00 41.30 O ATOM 787 CB GLN A 48 -8.664 3.885 11.261 1.00 44.22 C ATOM 788 CG GLN A 48 -7.522 4.692 11.867 1.00 43.55 C ATOM 789 CD GLN A 48 -6.788 3.948 12.965 1.00 74.42 C ATOM 790 OE1 GLN A 48 -7.179 4.000 14.130 1.00 21.53 O ATOM 791 NE2 GLN A 48 -5.706 3.280 12.614 1.00 44.51 N ATOM 0 H GLN A 48 -7.142 3.731 9.320 1.00 10.52 H new ATOM 0 HA GLN A 48 -7.711 1.968 11.405 1.00 60.41 H new ATOM 0 HB2 GLN A 48 -9.149 4.486 10.492 1.00 44.22 H new ATOM 0 HB3 GLN A 48 -9.409 3.695 12.034 1.00 44.22 H new ATOM 0 HG2 GLN A 48 -6.815 4.958 11.081 1.00 43.55 H new ATOM 0 HG3 GLN A 48 -7.917 5.625 12.269 1.00 43.55 H new ATOM 0 HE21 GLN A 48 -5.413 3.260 11.637 1.00 44.51 H new ATOM 0 HE22 GLN A 48 -5.162 2.783 13.320 1.00 44.51 H new ATOM 800 N LYS A 49 -10.122 2.226 9.146 1.00 63.33 N ATOM 801 CA LYS A 49 -11.341 1.585 8.655 1.00 51.23 C ATOM 802 C LYS A 49 -11.095 0.139 8.222 1.00 53.31 C ATOM 803 O LYS A 49 -11.880 -0.755 8.552 1.00 71.22 O ATOM 804 CB LYS A 49 -11.942 2.386 7.495 1.00 22.12 C ATOM 805 CG LYS A 49 -12.413 3.783 7.881 1.00 42.31 C ATOM 806 CD LYS A 49 -13.497 3.731 8.945 1.00 60.00 C ATOM 807 CE LYS A 49 -14.040 5.114 9.259 1.00 5.45 C ATOM 808 NZ LYS A 49 -15.131 5.062 10.267 1.00 43.41 N ATOM 0 H LYS A 49 -9.831 3.044 8.611 1.00 63.33 H new ATOM 0 HA LYS A 49 -12.049 1.567 9.483 1.00 51.23 H new ATOM 0 HB2 LYS A 49 -11.198 2.471 6.703 1.00 22.12 H new ATOM 0 HB3 LYS A 49 -12.785 1.831 7.083 1.00 22.12 H new ATOM 0 HG2 LYS A 49 -11.568 4.364 8.249 1.00 42.31 H new ATOM 0 HG3 LYS A 49 -12.793 4.297 6.998 1.00 42.31 H new ATOM 0 HD2 LYS A 49 -14.310 3.089 8.606 1.00 60.00 H new ATOM 0 HD3 LYS A 49 -13.095 3.283 9.853 1.00 60.00 H new ATOM 0 HE2 LYS A 49 -13.233 5.746 9.629 1.00 5.45 H new ATOM 0 HE3 LYS A 49 -14.412 5.575 8.344 1.00 5.45 H new ATOM 0 HZ1 LYS A 49 -15.476 6.025 10.455 1.00 43.41 H new ATOM 0 HZ2 LYS A 49 -15.912 4.479 9.904 1.00 43.41 H new ATOM 0 HZ3 LYS A 49 -14.770 4.645 11.149 1.00 43.41 H new ATOM 822 N ILE A 50 -10.005 -0.086 7.504 1.00 53.13 N ATOM 823 CA ILE A 50 -9.685 -1.417 6.994 1.00 61.44 C ATOM 824 C ILE A 50 -9.303 -2.385 8.113 1.00 4.51 C ATOM 825 O ILE A 50 -9.795 -3.513 8.161 1.00 62.12 O ATOM 826 CB ILE A 50 -8.540 -1.372 5.950 1.00 2.44 C ATOM 827 CG1 ILE A 50 -8.941 -0.507 4.753 1.00 0.24 C ATOM 828 CG2 ILE A 50 -8.181 -2.780 5.490 1.00 61.14 C ATOM 829 CD1 ILE A 50 -7.837 -0.331 3.726 1.00 3.00 C ATOM 0 H ILE A 50 -9.325 0.634 7.260 1.00 53.13 H new ATOM 0 HA ILE A 50 -10.593 -1.779 6.512 1.00 61.44 H new ATOM 0 HB ILE A 50 -7.663 -0.928 6.421 1.00 2.44 H new ATOM 0 HG12 ILE A 50 -9.808 -0.955 4.267 1.00 0.24 H new ATOM 0 HG13 ILE A 50 -9.249 0.475 5.113 1.00 0.24 H new ATOM 0 HG21 ILE A 50 -7.376 -2.729 4.757 1.00 61.14 H new ATOM 0 HG22 ILE A 50 -7.856 -3.371 6.346 1.00 61.14 H new ATOM 0 HG23 ILE A 50 -9.055 -3.249 5.037 1.00 61.14 H new ATOM 0 HD11 ILE A 50 -8.197 0.293 2.908 1.00 3.00 H new ATOM 0 HD12 ILE A 50 -6.976 0.146 4.195 1.00 3.00 H new ATOM 0 HD13 ILE A 50 -7.544 -1.306 3.336 1.00 3.00 H new ATOM 841 N LYS A 51 -8.445 -1.940 9.019 1.00 41.51 N ATOM 842 CA LYS A 51 -7.956 -2.811 10.081 1.00 75.34 C ATOM 843 C LYS A 51 -9.009 -3.020 11.174 1.00 2.01 C ATOM 844 O LYS A 51 -8.885 -3.922 12.003 1.00 21.52 O ATOM 845 CB LYS A 51 -6.658 -2.256 10.676 1.00 71.13 C ATOM 846 CG LYS A 51 -5.849 -3.288 11.444 1.00 54.41 C ATOM 847 CD LYS A 51 -4.522 -2.723 11.914 1.00 63.32 C ATOM 848 CE LYS A 51 -3.660 -3.808 12.535 1.00 3.41 C ATOM 849 NZ LYS A 51 -2.351 -3.289 13.001 1.00 22.44 N ATOM 0 H LYS A 51 -8.075 -0.990 9.042 1.00 41.51 H new ATOM 0 HA LYS A 51 -7.748 -3.785 9.639 1.00 75.34 H new ATOM 0 HB2 LYS A 51 -6.044 -1.851 9.872 1.00 71.13 H new ATOM 0 HB3 LYS A 51 -6.899 -1.427 11.342 1.00 71.13 H new ATOM 0 HG2 LYS A 51 -6.423 -3.634 12.304 1.00 54.41 H new ATOM 0 HG3 LYS A 51 -5.671 -4.156 10.810 1.00 54.41 H new ATOM 0 HD2 LYS A 51 -3.996 -2.272 11.073 1.00 63.32 H new ATOM 0 HD3 LYS A 51 -4.697 -1.931 12.642 1.00 63.32 H new ATOM 0 HE2 LYS A 51 -4.191 -4.255 13.375 1.00 3.41 H new ATOM 0 HE3 LYS A 51 -3.495 -4.600 11.805 1.00 3.41 H new ATOM 0 HZ1 LYS A 51 -1.717 -4.086 13.211 1.00 22.44 H new ATOM 0 HZ2 LYS A 51 -1.928 -2.697 12.258 1.00 22.44 H new ATOM 0 HZ3 LYS A 51 -2.489 -2.720 13.861 1.00 22.44 H new ATOM 863 N SER A 52 -10.032 -2.186 11.182 1.00 51.43 N ATOM 864 CA SER A 52 -11.099 -2.325 12.154 1.00 65.23 C ATOM 865 C SER A 52 -12.211 -3.218 11.610 1.00 33.52 C ATOM 866 O SER A 52 -12.710 -4.096 12.317 1.00 3.13 O ATOM 867 CB SER A 52 -11.649 -0.963 12.559 1.00 13.34 C ATOM 868 OG SER A 52 -10.620 -0.142 13.100 1.00 65.21 O ATOM 0 H SER A 52 -10.146 -1.410 10.530 1.00 51.43 H new ATOM 0 HA SER A 52 -10.685 -2.799 13.044 1.00 65.23 H new ATOM 0 HB2 SER A 52 -12.093 -0.473 11.693 1.00 13.34 H new ATOM 0 HB3 SER A 52 -12.443 -1.091 13.295 1.00 13.34 H new ATOM 0 HG SER A 52 -9.942 0.027 12.413 1.00 65.21 H new ATOM 874 N GLY A 53 -12.592 -3.003 10.352 1.00 1.30 N ATOM 875 CA GLY A 53 -13.613 -3.837 9.755 1.00 14.53 C ATOM 876 C GLY A 53 -14.682 -3.057 9.018 1.00 12.15 C ATOM 877 O GLY A 53 -15.463 -3.642 8.264 1.00 11.11 O ATOM 0 H GLY A 53 -12.215 -2.275 9.745 1.00 1.30 H new ATOM 0 HA2 GLY A 53 -13.141 -4.534 9.062 1.00 14.53 H new ATOM 0 HA3 GLY A 53 -14.084 -4.434 10.536 1.00 14.53 H new ATOM 881 N GLU A 54 -14.730 -1.743 9.236 1.00 60.12 N ATOM 882 CA GLU A 54 -15.725 -0.887 8.577 1.00 21.31 C ATOM 883 C GLU A 54 -15.672 -1.038 7.068 1.00 33.53 C ATOM 884 O GLU A 54 -16.694 -1.222 6.421 1.00 42.03 O ATOM 885 CB GLU A 54 -15.540 0.587 8.948 1.00 45.42 C ATOM 886 CG GLU A 54 -15.845 0.917 10.396 1.00 41.23 C ATOM 887 CD GLU A 54 -14.719 0.564 11.334 1.00 51.42 C ATOM 888 OE1 GLU A 54 -14.650 -0.592 11.783 1.00 31.12 O ATOM 889 OE2 GLU A 54 -13.905 1.450 11.635 1.00 15.44 O ATOM 0 H GLU A 54 -14.095 -1.246 9.861 1.00 60.12 H new ATOM 0 HA GLU A 54 -16.702 -1.216 8.933 1.00 21.31 H new ATOM 0 HB2 GLU A 54 -14.511 0.876 8.732 1.00 45.42 H new ATOM 0 HB3 GLU A 54 -16.182 1.192 8.308 1.00 45.42 H new ATOM 0 HG2 GLU A 54 -16.061 1.982 10.482 1.00 41.23 H new ATOM 0 HG3 GLU A 54 -16.745 0.384 10.702 1.00 41.23 H new ATOM 896 N GLU A 55 -14.483 -0.959 6.517 1.00 23.23 N ATOM 897 CA GLU A 55 -14.299 -1.101 5.088 1.00 52.42 C ATOM 898 C GLU A 55 -13.223 -2.113 4.798 1.00 53.54 C ATOM 899 O GLU A 55 -12.103 -1.993 5.287 1.00 43.21 O ATOM 900 CB GLU A 55 -13.938 0.241 4.442 1.00 23.23 C ATOM 901 CG GLU A 55 -15.103 1.208 4.322 1.00 74.31 C ATOM 902 CD GLU A 55 -16.202 0.681 3.421 1.00 32.04 C ATOM 903 OE1 GLU A 55 -16.042 0.733 2.183 1.00 3.55 O ATOM 904 OE2 GLU A 55 -17.234 0.220 3.941 1.00 40.33 O ATOM 0 H GLU A 55 -13.622 -0.796 7.039 1.00 23.23 H new ATOM 0 HA GLU A 55 -15.241 -1.446 4.661 1.00 52.42 H new ATOM 0 HB2 GLU A 55 -13.148 0.712 5.027 1.00 23.23 H new ATOM 0 HB3 GLU A 55 -13.531 0.055 3.448 1.00 23.23 H new ATOM 0 HG2 GLU A 55 -15.512 1.404 5.313 1.00 74.31 H new ATOM 0 HG3 GLU A 55 -14.743 2.160 3.932 1.00 74.31 H new ATOM 911 N ASP A 56 -13.564 -3.121 4.021 1.00 64.12 N ATOM 912 CA ASP A 56 -12.600 -4.131 3.635 1.00 22.41 C ATOM 913 C ASP A 56 -11.553 -3.518 2.719 1.00 42.50 C ATOM 914 O ASP A 56 -11.829 -2.529 2.023 1.00 32.32 O ATOM 915 CB ASP A 56 -13.295 -5.308 2.946 1.00 54.42 C ATOM 916 CG ASP A 56 -12.328 -6.383 2.501 1.00 12.44 C ATOM 917 OD1 ASP A 56 -11.744 -7.060 3.370 1.00 40.41 O ATOM 918 OD2 ASP A 56 -12.156 -6.560 1.282 1.00 15.03 O ATOM 0 H ASP A 56 -14.501 -3.262 3.645 1.00 64.12 H new ATOM 0 HA ASP A 56 -12.109 -4.509 4.532 1.00 22.41 H new ATOM 0 HB2 ASP A 56 -14.025 -5.743 3.629 1.00 54.42 H new ATOM 0 HB3 ASP A 56 -13.847 -4.942 2.080 1.00 54.42 H new ATOM 923 N PHE A 57 -10.361 -4.098 2.723 1.00 23.24 N ATOM 924 CA PHE A 57 -9.244 -3.596 1.935 1.00 5.34 C ATOM 925 C PHE A 57 -9.641 -3.405 0.470 1.00 13.43 C ATOM 926 O PHE A 57 -9.315 -2.383 -0.138 1.00 4.24 O ATOM 927 CB PHE A 57 -8.051 -4.557 2.039 1.00 23.24 C ATOM 928 CG PHE A 57 -6.727 -3.925 1.702 1.00 51.02 C ATOM 929 CD1 PHE A 57 -6.377 -3.663 0.388 1.00 1.23 C ATOM 930 CD2 PHE A 57 -5.834 -3.590 2.707 1.00 44.12 C ATOM 931 CE1 PHE A 57 -5.165 -3.079 0.085 1.00 23.32 C ATOM 932 CE2 PHE A 57 -4.621 -3.007 2.409 1.00 64.22 C ATOM 933 CZ PHE A 57 -4.287 -2.750 1.098 1.00 11.11 C ATOM 0 H PHE A 57 -10.141 -4.929 3.272 1.00 23.24 H new ATOM 0 HA PHE A 57 -8.957 -2.624 2.336 1.00 5.34 H new ATOM 0 HB2 PHE A 57 -8.005 -4.955 3.053 1.00 23.24 H new ATOM 0 HB3 PHE A 57 -8.219 -5.403 1.372 1.00 23.24 H new ATOM 0 HD1 PHE A 57 -7.061 -3.919 -0.408 1.00 1.23 H new ATOM 0 HD2 PHE A 57 -6.092 -3.788 3.737 1.00 44.12 H new ATOM 0 HE1 PHE A 57 -4.903 -2.879 -0.944 1.00 23.32 H new ATOM 0 HE2 PHE A 57 -3.934 -2.752 3.202 1.00 64.22 H new ATOM 0 HZ PHE A 57 -3.338 -2.291 0.862 1.00 11.11 H new ATOM 943 N GLU A 58 -10.374 -4.375 -0.075 1.00 22.42 N ATOM 944 CA GLU A 58 -10.786 -4.339 -1.475 1.00 14.45 C ATOM 945 C GLU A 58 -11.607 -3.091 -1.793 1.00 12.55 C ATOM 946 O GLU A 58 -11.415 -2.465 -2.834 1.00 0.33 O ATOM 947 CB GLU A 58 -11.601 -5.582 -1.832 1.00 24.43 C ATOM 948 CG GLU A 58 -10.872 -6.898 -1.613 1.00 35.15 C ATOM 949 CD GLU A 58 -11.639 -8.083 -2.167 1.00 22.02 C ATOM 950 OE1 GLU A 58 -12.885 -7.987 -2.299 1.00 22.42 O ATOM 951 OE2 GLU A 58 -11.003 -9.114 -2.484 1.00 24.21 O ATOM 0 H GLU A 58 -10.695 -5.198 0.435 1.00 22.42 H new ATOM 0 HA GLU A 58 -9.875 -4.315 -2.073 1.00 14.45 H new ATOM 0 HB2 GLU A 58 -12.515 -5.584 -1.238 1.00 24.43 H new ATOM 0 HB3 GLU A 58 -11.900 -5.517 -2.878 1.00 24.43 H new ATOM 0 HG2 GLU A 58 -9.891 -6.850 -2.086 1.00 35.15 H new ATOM 0 HG3 GLU A 58 -10.704 -7.044 -0.546 1.00 35.15 H new ATOM 958 N SER A 59 -12.501 -2.730 -0.885 1.00 14.31 N ATOM 959 CA SER A 59 -13.400 -1.598 -1.083 1.00 22.43 C ATOM 960 C SER A 59 -12.634 -0.295 -1.326 1.00 2.15 C ATOM 961 O SER A 59 -12.900 0.426 -2.296 1.00 72.13 O ATOM 962 CB SER A 59 -14.330 -1.447 0.127 1.00 70.43 C ATOM 963 OG SER A 59 -15.231 -0.368 -0.046 1.00 52.42 O ATOM 0 H SER A 59 -12.625 -3.209 0.007 1.00 14.31 H new ATOM 0 HA SER A 59 -13.994 -1.800 -1.974 1.00 22.43 H new ATOM 0 HB2 SER A 59 -14.890 -2.370 0.275 1.00 70.43 H new ATOM 0 HB3 SER A 59 -13.736 -1.286 1.027 1.00 70.43 H new ATOM 0 HG SER A 59 -15.610 -0.116 0.822 1.00 52.42 H new ATOM 969 N LEU A 60 -11.680 -0.003 -0.466 1.00 12.23 N ATOM 970 CA LEU A 60 -10.935 1.238 -0.567 1.00 11.21 C ATOM 971 C LEU A 60 -9.836 1.159 -1.621 1.00 72.11 C ATOM 972 O LEU A 60 -9.586 2.129 -2.333 1.00 42.14 O ATOM 973 CB LEU A 60 -10.353 1.632 0.792 1.00 23.14 C ATOM 974 CG LEU A 60 -11.382 1.914 1.895 1.00 40.11 C ATOM 975 CD1 LEU A 60 -10.689 2.268 3.196 1.00 24.30 C ATOM 976 CD2 LEU A 60 -12.329 3.031 1.477 1.00 50.11 C ATOM 0 H LEU A 60 -11.402 -0.605 0.309 1.00 12.23 H new ATOM 0 HA LEU A 60 -11.635 2.011 -0.884 1.00 11.21 H new ATOM 0 HB2 LEU A 60 -9.693 0.833 1.130 1.00 23.14 H new ATOM 0 HB3 LEU A 60 -9.736 2.521 0.659 1.00 23.14 H new ATOM 0 HG LEU A 60 -11.967 1.008 2.051 1.00 40.11 H new ATOM 0 HD11 LEU A 60 -11.436 2.464 3.965 1.00 24.30 H new ATOM 0 HD12 LEU A 60 -10.056 1.438 3.509 1.00 24.30 H new ATOM 0 HD13 LEU A 60 -10.075 3.157 3.051 1.00 24.30 H new ATOM 0 HD21 LEU A 60 -13.050 3.214 2.274 1.00 50.11 H new ATOM 0 HD22 LEU A 60 -11.758 3.940 1.288 1.00 50.11 H new ATOM 0 HD23 LEU A 60 -12.858 2.739 0.570 1.00 50.11 H new ATOM 988 N ALA A 61 -9.203 0.003 -1.742 1.00 70.54 N ATOM 989 CA ALA A 61 -8.106 -0.166 -2.692 1.00 20.12 C ATOM 990 C ALA A 61 -8.582 -0.113 -4.142 1.00 43.43 C ATOM 991 O ALA A 61 -7.844 0.301 -5.024 1.00 51.14 O ATOM 992 CB ALA A 61 -7.353 -1.453 -2.423 1.00 25.51 C ATOM 0 H ALA A 61 -9.426 -0.831 -1.199 1.00 70.54 H new ATOM 0 HA ALA A 61 -7.427 0.674 -2.546 1.00 20.12 H new ATOM 0 HB1 ALA A 61 -6.541 -1.557 -3.143 1.00 25.51 H new ATOM 0 HB2 ALA A 61 -6.942 -1.430 -1.414 1.00 25.51 H new ATOM 0 HB3 ALA A 61 -8.033 -2.299 -2.519 1.00 25.51 H new ATOM 998 N SER A 62 -9.813 -0.519 -4.386 1.00 41.14 N ATOM 999 CA SER A 62 -10.354 -0.487 -5.741 1.00 61.04 C ATOM 1000 C SER A 62 -10.705 0.941 -6.157 1.00 21.13 C ATOM 1001 O SER A 62 -10.951 1.215 -7.337 1.00 33.11 O ATOM 1002 CB SER A 62 -11.599 -1.369 -5.845 1.00 20.11 C ATOM 1003 OG SER A 62 -11.324 -2.699 -5.439 1.00 43.41 O ATOM 0 H SER A 62 -10.455 -0.872 -3.676 1.00 41.14 H new ATOM 0 HA SER A 62 -9.586 -0.870 -6.413 1.00 61.04 H new ATOM 0 HB2 SER A 62 -12.394 -0.954 -5.225 1.00 20.11 H new ATOM 0 HB3 SER A 62 -11.963 -1.368 -6.872 1.00 20.11 H new ATOM 0 HG SER A 62 -11.374 -2.760 -4.462 1.00 43.41 H new ATOM 1009 N GLN A 63 -10.728 1.847 -5.192 1.00 10.30 N ATOM 1010 CA GLN A 63 -11.122 3.214 -5.461 1.00 54.41 C ATOM 1011 C GLN A 63 -9.989 4.220 -5.241 1.00 1.15 C ATOM 1012 O GLN A 63 -9.713 5.036 -6.108 1.00 1.21 O ATOM 1013 CB GLN A 63 -12.332 3.592 -4.606 1.00 73.32 C ATOM 1014 CG GLN A 63 -13.565 2.744 -4.878 1.00 32.22 C ATOM 1015 CD GLN A 63 -14.735 3.119 -3.996 1.00 34.11 C ATOM 1016 OE1 GLN A 63 -15.544 3.977 -4.347 1.00 33.21 O ATOM 1017 NE2 GLN A 63 -14.835 2.481 -2.847 1.00 4.14 N ATOM 0 H GLN A 63 -10.479 1.658 -4.221 1.00 10.30 H new ATOM 0 HA GLN A 63 -11.385 3.261 -6.518 1.00 54.41 H new ATOM 0 HB2 GLN A 63 -12.064 3.500 -3.553 1.00 73.32 H new ATOM 0 HB3 GLN A 63 -12.577 4.639 -4.782 1.00 73.32 H new ATOM 0 HG2 GLN A 63 -13.853 2.853 -5.923 1.00 32.22 H new ATOM 0 HG3 GLN A 63 -13.320 1.693 -4.723 1.00 32.22 H new ATOM 0 HE21 GLN A 63 -14.143 1.776 -2.593 1.00 4.14 H new ATOM 0 HE22 GLN A 63 -15.604 2.692 -2.212 1.00 4.14 H new ATOM 1026 N PHE A 64 -9.334 4.155 -4.092 1.00 72.52 N ATOM 1027 CA PHE A 64 -8.338 5.169 -3.729 1.00 61.14 C ATOM 1028 C PHE A 64 -6.896 4.711 -3.939 1.00 33.43 C ATOM 1029 O PHE A 64 -5.966 5.402 -3.538 1.00 34.33 O ATOM 1030 CB PHE A 64 -8.534 5.605 -2.275 1.00 72.25 C ATOM 1031 CG PHE A 64 -9.881 6.208 -2.001 1.00 60.13 C ATOM 1032 CD1 PHE A 64 -10.169 7.503 -2.401 1.00 64.34 C ATOM 1033 CD2 PHE A 64 -10.859 5.480 -1.342 1.00 25.41 C ATOM 1034 CE1 PHE A 64 -11.407 8.060 -2.149 1.00 73.55 C ATOM 1035 CE2 PHE A 64 -12.099 6.033 -1.087 1.00 35.34 C ATOM 1036 CZ PHE A 64 -12.372 7.325 -1.492 1.00 64.42 C ATOM 0 H PHE A 64 -9.467 3.421 -3.396 1.00 72.52 H new ATOM 0 HA PHE A 64 -8.501 6.010 -4.402 1.00 61.14 H new ATOM 0 HB2 PHE A 64 -8.393 4.742 -1.624 1.00 72.25 H new ATOM 0 HB3 PHE A 64 -7.762 6.329 -2.015 1.00 72.25 H new ATOM 0 HD1 PHE A 64 -9.417 8.083 -2.915 1.00 64.34 H new ATOM 0 HD2 PHE A 64 -10.649 4.469 -1.024 1.00 25.41 H new ATOM 0 HE1 PHE A 64 -11.620 9.070 -2.466 1.00 73.55 H new ATOM 0 HE2 PHE A 64 -12.853 5.456 -0.572 1.00 35.34 H new ATOM 0 HZ PHE A 64 -13.341 7.760 -1.294 1.00 64.42 H new ATOM 1046 N SER A 65 -6.701 3.572 -4.560 1.00 32.43 N ATOM 1047 CA SER A 65 -5.351 3.091 -4.793 1.00 73.43 C ATOM 1048 C SER A 65 -4.923 3.390 -6.222 1.00 12.15 C ATOM 1049 O SER A 65 -5.615 3.038 -7.172 1.00 24.42 O ATOM 1050 CB SER A 65 -5.250 1.590 -4.511 1.00 25.25 C ATOM 1051 OG SER A 65 -3.898 1.152 -4.486 1.00 40.40 O ATOM 0 H SER A 65 -7.443 2.966 -4.910 1.00 32.43 H new ATOM 0 HA SER A 65 -4.681 3.612 -4.109 1.00 73.43 H new ATOM 0 HB2 SER A 65 -5.723 1.366 -3.555 1.00 25.25 H new ATOM 0 HB3 SER A 65 -5.798 1.038 -5.275 1.00 25.25 H new ATOM 0 HG SER A 65 -3.866 0.182 -4.623 1.00 40.40 H new ATOM 1057 N ASP A 66 -3.792 4.058 -6.367 1.00 64.32 N ATOM 1058 CA ASP A 66 -3.256 4.375 -7.687 1.00 42.10 C ATOM 1059 C ASP A 66 -2.484 3.182 -8.241 1.00 15.23 C ATOM 1060 O ASP A 66 -2.212 3.095 -9.438 1.00 53.35 O ATOM 1061 CB ASP A 66 -2.353 5.612 -7.620 1.00 45.22 C ATOM 1062 CG ASP A 66 -1.821 6.021 -8.982 1.00 61.34 C ATOM 1063 OD1 ASP A 66 -2.595 6.570 -9.788 1.00 74.44 O ATOM 1064 OD2 ASP A 66 -0.625 5.789 -9.254 1.00 63.45 O ATOM 0 H ASP A 66 -3.224 4.393 -5.589 1.00 64.32 H new ATOM 0 HA ASP A 66 -4.088 4.595 -8.356 1.00 42.10 H new ATOM 0 HB2 ASP A 66 -2.912 6.442 -7.188 1.00 45.22 H new ATOM 0 HB3 ASP A 66 -1.515 5.410 -6.952 1.00 45.22 H new ATOM 1069 N ASP A 67 -2.161 2.253 -7.350 1.00 1.01 N ATOM 1070 CA ASP A 67 -1.419 1.040 -7.703 1.00 62.32 C ATOM 1071 C ASP A 67 -2.165 0.258 -8.787 1.00 23.21 C ATOM 1072 O ASP A 67 -3.396 0.259 -8.817 1.00 33.33 O ATOM 1073 CB ASP A 67 -1.250 0.164 -6.455 1.00 63.15 C ATOM 1074 CG ASP A 67 -0.226 -0.935 -6.628 1.00 61.53 C ATOM 1075 OD1 ASP A 67 -0.486 -1.884 -7.384 1.00 15.12 O ATOM 1076 OD2 ASP A 67 0.843 -0.855 -5.987 1.00 34.45 O ATOM 0 H ASP A 67 -2.404 2.315 -6.361 1.00 1.01 H new ATOM 0 HA ASP A 67 -0.439 1.322 -8.087 1.00 62.32 H new ATOM 0 HB2 ASP A 67 -0.958 0.794 -5.615 1.00 63.15 H new ATOM 0 HB3 ASP A 67 -2.211 -0.282 -6.200 1.00 63.15 H new ATOM 1081 N SER A 68 -1.424 -0.413 -9.661 1.00 4.04 N ATOM 1082 CA SER A 68 -2.020 -1.180 -10.752 1.00 54.40 C ATOM 1083 C SER A 68 -2.925 -2.295 -10.218 1.00 53.12 C ATOM 1084 O SER A 68 -3.867 -2.724 -10.887 1.00 4.24 O ATOM 1085 CB SER A 68 -0.923 -1.761 -11.650 1.00 61.41 C ATOM 1086 OG SER A 68 0.033 -2.487 -10.888 1.00 33.34 O ATOM 0 H SER A 68 -0.405 -0.442 -9.636 1.00 4.04 H new ATOM 0 HA SER A 68 -2.639 -0.505 -11.343 1.00 54.40 H new ATOM 0 HB2 SER A 68 -1.370 -2.416 -12.397 1.00 61.41 H new ATOM 0 HB3 SER A 68 -0.426 -0.955 -12.190 1.00 61.41 H new ATOM 0 HG SER A 68 0.721 -2.849 -11.485 1.00 33.34 H new ATOM 1092 N SER A 69 -2.646 -2.740 -9.000 1.00 75.40 N ATOM 1093 CA SER A 69 -3.428 -3.779 -8.363 1.00 54.25 C ATOM 1094 C SER A 69 -4.830 -3.294 -7.986 1.00 52.43 C ATOM 1095 O SER A 69 -5.668 -4.091 -7.606 1.00 5.50 O ATOM 1096 CB SER A 69 -2.708 -4.315 -7.134 1.00 42.24 C ATOM 1097 OG SER A 69 -1.449 -4.867 -7.483 1.00 11.12 O ATOM 0 H SER A 69 -1.874 -2.390 -8.432 1.00 75.40 H new ATOM 0 HA SER A 69 -3.543 -4.585 -9.088 1.00 54.25 H new ATOM 0 HB2 SER A 69 -2.569 -3.512 -6.410 1.00 42.24 H new ATOM 0 HB3 SER A 69 -3.322 -5.076 -6.652 1.00 42.24 H new ATOM 0 HG SER A 69 -0.758 -4.507 -6.889 1.00 11.12 H new ATOM 1103 N ALA A 70 -5.070 -1.980 -8.077 1.00 10.44 N ATOM 1104 CA ALA A 70 -6.378 -1.396 -7.733 1.00 23.22 C ATOM 1105 C ALA A 70 -7.520 -2.088 -8.475 1.00 73.14 C ATOM 1106 O ALA A 70 -8.608 -2.266 -7.929 1.00 62.33 O ATOM 1107 CB ALA A 70 -6.393 0.090 -8.034 1.00 32.44 C ATOM 0 H ALA A 70 -4.377 -1.298 -8.386 1.00 10.44 H new ATOM 0 HA ALA A 70 -6.530 -1.548 -6.664 1.00 23.22 H new ATOM 0 HB1 ALA A 70 -7.367 0.504 -7.774 1.00 32.44 H new ATOM 0 HB2 ALA A 70 -5.619 0.587 -7.449 1.00 32.44 H new ATOM 0 HB3 ALA A 70 -6.204 0.248 -9.096 1.00 32.44 H new ATOM 1113 N LYS A 71 -7.268 -2.483 -9.717 1.00 13.44 N ATOM 1114 CA LYS A 71 -8.280 -3.172 -10.512 1.00 22.33 C ATOM 1115 C LYS A 71 -8.516 -4.582 -9.971 1.00 20.11 C ATOM 1116 O LYS A 71 -9.568 -5.179 -10.185 1.00 12.21 O ATOM 1117 CB LYS A 71 -7.869 -3.230 -11.984 1.00 53.23 C ATOM 1118 CG LYS A 71 -6.562 -3.968 -12.236 1.00 21.34 C ATOM 1119 CD LYS A 71 -6.233 -4.029 -13.718 1.00 1.45 C ATOM 1120 CE LYS A 71 -7.278 -4.820 -14.490 1.00 4.43 C ATOM 1121 NZ LYS A 71 -6.964 -4.887 -15.935 1.00 24.14 N ATOM 0 H LYS A 71 -6.378 -2.340 -10.194 1.00 13.44 H new ATOM 0 HA LYS A 71 -9.211 -2.609 -10.438 1.00 22.33 H new ATOM 0 HB2 LYS A 71 -8.663 -3.714 -12.553 1.00 53.23 H new ATOM 0 HB3 LYS A 71 -7.779 -2.213 -12.365 1.00 53.23 H new ATOM 0 HG2 LYS A 71 -5.753 -3.469 -11.703 1.00 21.34 H new ATOM 0 HG3 LYS A 71 -6.631 -4.980 -11.836 1.00 21.34 H new ATOM 0 HD2 LYS A 71 -6.171 -3.018 -14.120 1.00 1.45 H new ATOM 0 HD3 LYS A 71 -5.254 -4.487 -13.856 1.00 1.45 H new ATOM 0 HE2 LYS A 71 -7.341 -5.830 -14.085 1.00 4.43 H new ATOM 0 HE3 LYS A 71 -8.256 -4.360 -14.352 1.00 4.43 H new ATOM 0 HZ1 LYS A 71 -7.700 -5.434 -16.425 1.00 24.14 H new ATOM 0 HZ2 LYS A 71 -6.929 -3.925 -16.328 1.00 24.14 H new ATOM 0 HZ3 LYS A 71 -6.042 -5.349 -16.069 1.00 24.14 H new ATOM 1135 N ALA A 72 -7.526 -5.094 -9.261 1.00 71.31 N ATOM 1136 CA ALA A 72 -7.595 -6.407 -8.650 1.00 51.22 C ATOM 1137 C ALA A 72 -7.930 -6.265 -7.170 1.00 33.44 C ATOM 1138 O ALA A 72 -7.661 -7.159 -6.367 1.00 11.53 O ATOM 1139 CB ALA A 72 -6.271 -7.140 -8.834 1.00 44.03 C ATOM 0 H ALA A 72 -6.646 -4.606 -9.092 1.00 71.31 H new ATOM 0 HA ALA A 72 -8.379 -6.990 -9.133 1.00 51.22 H new ATOM 0 HB1 ALA A 72 -6.333 -8.125 -8.372 1.00 44.03 H new ATOM 0 HB2 ALA A 72 -6.061 -7.251 -9.898 1.00 44.03 H new ATOM 0 HB3 ALA A 72 -5.470 -6.569 -8.364 1.00 44.03 H new ATOM 1145 N ARG A 73 -8.525 -5.111 -6.825 1.00 70.32 N ATOM 1146 CA ARG A 73 -8.955 -4.793 -5.455 1.00 10.51 C ATOM 1147 C ARG A 73 -7.774 -4.509 -4.531 1.00 54.45 C ATOM 1148 O ARG A 73 -7.939 -4.402 -3.320 1.00 53.42 O ATOM 1149 CB ARG A 73 -9.843 -5.901 -4.860 1.00 71.13 C ATOM 1150 CG ARG A 73 -11.239 -6.004 -5.472 1.00 30.55 C ATOM 1151 CD ARG A 73 -11.216 -6.633 -6.856 1.00 35.11 C ATOM 1152 NE ARG A 73 -10.688 -7.997 -6.826 1.00 13.41 N ATOM 1153 CZ ARG A 73 -11.441 -9.092 -6.729 1.00 43.44 C ATOM 1154 NH1 ARG A 73 -12.761 -8.991 -6.617 1.00 11.32 N ATOM 1155 NH2 ARG A 73 -10.874 -10.285 -6.739 1.00 43.41 N ATOM 0 H ARG A 73 -8.722 -4.368 -7.495 1.00 70.32 H new ATOM 0 HA ARG A 73 -9.549 -3.882 -5.528 1.00 10.51 H new ATOM 0 HB2 ARG A 73 -9.336 -6.858 -4.984 1.00 71.13 H new ATOM 0 HB3 ARG A 73 -9.944 -5.730 -3.788 1.00 71.13 H new ATOM 0 HG2 ARG A 73 -11.878 -6.596 -4.817 1.00 30.55 H new ATOM 0 HG3 ARG A 73 -11.680 -5.009 -5.534 1.00 30.55 H new ATOM 0 HD2 ARG A 73 -12.225 -6.643 -7.267 1.00 35.11 H new ATOM 0 HD3 ARG A 73 -10.607 -6.022 -7.522 1.00 35.11 H new ATOM 0 HE ARG A 73 -9.677 -8.118 -6.883 1.00 13.41 H new ATOM 0 HH11 ARG A 73 -13.203 -8.072 -6.605 1.00 11.32 H new ATOM 0 HH12 ARG A 73 -13.332 -9.833 -6.543 1.00 11.32 H new ATOM 0 HH21 ARG A 73 -9.861 -10.367 -6.821 1.00 43.41 H new ATOM 0 HH22 ARG A 73 -11.450 -11.124 -6.665 1.00 43.41 H new ATOM 1169 N GLY A 74 -6.587 -4.387 -5.110 1.00 14.33 N ATOM 1170 CA GLY A 74 -5.392 -4.105 -4.329 1.00 3.30 C ATOM 1171 C GLY A 74 -4.859 -5.332 -3.622 1.00 21.11 C ATOM 1172 O GLY A 74 -3.802 -5.290 -2.995 1.00 3.11 O ATOM 0 H GLY A 74 -6.427 -4.479 -6.113 1.00 14.33 H new ATOM 0 HA2 GLY A 74 -4.620 -3.703 -4.985 1.00 3.30 H new ATOM 0 HA3 GLY A 74 -5.617 -3.334 -3.592 1.00 3.30 H new ATOM 1176 N ASP A 75 -5.581 -6.422 -3.743 1.00 31.10 N ATOM 1177 CA ASP A 75 -5.228 -7.667 -3.091 1.00 24.22 C ATOM 1178 C ASP A 75 -4.365 -8.525 -4.009 1.00 42.00 C ATOM 1179 O ASP A 75 -4.656 -8.654 -5.197 1.00 22.03 O ATOM 1180 CB ASP A 75 -6.510 -8.409 -2.698 1.00 15.14 C ATOM 1181 CG ASP A 75 -6.252 -9.733 -2.027 1.00 60.04 C ATOM 1182 OD1 ASP A 75 -5.696 -9.742 -0.910 1.00 4.54 O ATOM 1183 OD2 ASP A 75 -6.632 -10.773 -2.598 1.00 51.24 O ATOM 0 H ASP A 75 -6.435 -6.473 -4.299 1.00 31.10 H new ATOM 0 HA ASP A 75 -4.648 -7.455 -2.193 1.00 24.22 H new ATOM 0 HB2 ASP A 75 -7.095 -7.779 -2.029 1.00 15.14 H new ATOM 0 HB3 ASP A 75 -7.114 -8.574 -3.590 1.00 15.14 H new ATOM 1188 N LEU A 76 -3.294 -9.090 -3.463 1.00 32.42 N ATOM 1189 CA LEU A 76 -2.389 -9.931 -4.239 1.00 2.34 C ATOM 1190 C LEU A 76 -2.145 -11.260 -3.552 1.00 74.05 C ATOM 1191 O LEU A 76 -2.566 -11.477 -2.419 1.00 54.12 O ATOM 1192 CB LEU A 76 -1.043 -9.238 -4.492 1.00 43.34 C ATOM 1193 CG LEU A 76 -1.047 -8.061 -5.467 1.00 23.23 C ATOM 1194 CD1 LEU A 76 0.377 -7.598 -5.727 1.00 24.35 C ATOM 1195 CD2 LEU A 76 -1.728 -8.439 -6.776 1.00 75.22 C ATOM 0 H LEU A 76 -3.031 -8.981 -2.484 1.00 32.42 H new ATOM 0 HA LEU A 76 -2.877 -10.108 -5.198 1.00 2.34 H new ATOM 0 HB2 LEU A 76 -0.657 -8.886 -3.535 1.00 43.34 H new ATOM 0 HB3 LEU A 76 -0.341 -9.985 -4.863 1.00 43.34 H new ATOM 0 HG LEU A 76 -1.611 -7.244 -5.017 1.00 23.23 H new ATOM 0 HD11 LEU A 76 0.365 -6.759 -6.423 1.00 24.35 H new ATOM 0 HD12 LEU A 76 0.835 -7.285 -4.789 1.00 24.35 H new ATOM 0 HD13 LEU A 76 0.953 -8.417 -6.156 1.00 24.35 H new ATOM 0 HD21 LEU A 76 -1.717 -7.584 -7.452 1.00 75.22 H new ATOM 0 HD22 LEU A 76 -1.196 -9.272 -7.236 1.00 75.22 H new ATOM 0 HD23 LEU A 76 -2.759 -8.732 -6.578 1.00 75.22 H new ATOM 1207 N GLY A 77 -1.469 -12.144 -4.259 1.00 55.54 N ATOM 1208 CA GLY A 77 -1.146 -13.449 -3.730 1.00 44.44 C ATOM 1209 C GLY A 77 0.187 -13.459 -3.001 1.00 50.14 C ATOM 1210 O GLY A 77 0.635 -12.427 -2.498 1.00 33.02 O ATOM 0 H GLY A 77 -1.132 -11.978 -5.207 1.00 55.54 H new ATOM 0 HA2 GLY A 77 -1.934 -13.768 -3.047 1.00 44.44 H new ATOM 0 HA3 GLY A 77 -1.118 -14.173 -4.545 1.00 44.44 H new ATOM 1214 N ALA A 78 0.819 -14.619 -2.951 1.00 11.44 N ATOM 1215 CA ALA A 78 2.097 -14.777 -2.273 1.00 33.54 C ATOM 1216 C ALA A 78 3.254 -14.551 -3.230 1.00 2.43 C ATOM 1217 O ALA A 78 3.487 -15.352 -4.140 1.00 33.15 O ATOM 1218 CB ALA A 78 2.190 -16.156 -1.649 1.00 42.50 C ATOM 0 H ALA A 78 0.464 -15.475 -3.377 1.00 11.44 H new ATOM 0 HA ALA A 78 2.160 -14.027 -1.485 1.00 33.54 H new ATOM 0 HB1 ALA A 78 3.150 -16.263 -1.144 1.00 42.50 H new ATOM 0 HB2 ALA A 78 1.384 -16.283 -0.926 1.00 42.50 H new ATOM 0 HB3 ALA A 78 2.103 -16.914 -2.427 1.00 42.50 H new ATOM 1224 N PHE A 79 3.976 -13.464 -3.032 1.00 73.41 N ATOM 1225 CA PHE A 79 5.110 -13.152 -3.880 1.00 21.52 C ATOM 1226 C PHE A 79 6.418 -13.394 -3.137 1.00 2.31 C ATOM 1227 O PHE A 79 6.448 -13.409 -1.902 1.00 52.35 O ATOM 1228 CB PHE A 79 5.038 -11.700 -4.396 1.00 11.12 C ATOM 1229 CG PHE A 79 5.287 -10.644 -3.347 1.00 1.23 C ATOM 1230 CD1 PHE A 79 4.272 -10.224 -2.506 1.00 51.23 C ATOM 1231 CD2 PHE A 79 6.542 -10.068 -3.212 1.00 63.31 C ATOM 1232 CE1 PHE A 79 4.504 -9.254 -1.550 1.00 60.31 C ATOM 1233 CE2 PHE A 79 6.779 -9.100 -2.259 1.00 2.24 C ATOM 1234 CZ PHE A 79 5.759 -8.692 -1.427 1.00 74.11 C ATOM 0 H PHE A 79 3.798 -12.784 -2.293 1.00 73.41 H new ATOM 0 HA PHE A 79 5.075 -13.816 -4.744 1.00 21.52 H new ATOM 0 HB2 PHE A 79 5.768 -11.577 -5.196 1.00 11.12 H new ATOM 0 HB3 PHE A 79 4.054 -11.533 -4.834 1.00 11.12 H new ATOM 0 HD1 PHE A 79 3.288 -10.659 -2.598 1.00 51.23 H new ATOM 0 HD2 PHE A 79 7.345 -10.382 -3.863 1.00 63.31 H new ATOM 0 HE1 PHE A 79 3.704 -8.935 -0.899 1.00 60.31 H new ATOM 0 HE2 PHE A 79 7.762 -8.663 -2.165 1.00 2.24 H new ATOM 0 HZ PHE A 79 5.941 -7.934 -0.680 1.00 74.11 H new ATOM 1244 N SER A 80 7.485 -13.594 -3.887 1.00 74.21 N ATOM 1245 CA SER A 80 8.797 -13.816 -3.311 1.00 63.12 C ATOM 1246 C SER A 80 9.592 -12.507 -3.325 1.00 64.52 C ATOM 1247 O SER A 80 9.229 -11.565 -4.033 1.00 1.22 O ATOM 1248 CB SER A 80 9.538 -14.914 -4.093 1.00 44.25 C ATOM 1249 OG SER A 80 10.748 -15.291 -3.447 1.00 55.32 O ATOM 0 H SER A 80 7.467 -13.607 -4.907 1.00 74.21 H new ATOM 0 HA SER A 80 8.689 -14.148 -2.278 1.00 63.12 H new ATOM 0 HB2 SER A 80 8.893 -15.786 -4.196 1.00 44.25 H new ATOM 0 HB3 SER A 80 9.758 -14.559 -5.100 1.00 44.25 H new ATOM 0 HG SER A 80 11.193 -15.991 -3.969 1.00 55.32 H new ATOM 1255 N ARG A 81 10.669 -12.456 -2.549 1.00 50.43 N ATOM 1256 CA ARG A 81 11.491 -11.249 -2.445 1.00 53.04 C ATOM 1257 C ARG A 81 12.174 -10.919 -3.774 1.00 42.24 C ATOM 1258 O ARG A 81 12.456 -11.812 -4.583 1.00 64.24 O ATOM 1259 CB ARG A 81 12.543 -11.406 -1.343 1.00 11.25 C ATOM 1260 CG ARG A 81 13.557 -12.507 -1.607 1.00 22.33 C ATOM 1261 CD ARG A 81 14.553 -12.625 -0.471 1.00 63.10 C ATOM 1262 NE ARG A 81 15.482 -13.738 -0.666 1.00 72.54 N ATOM 1263 CZ ARG A 81 16.707 -13.794 -0.140 1.00 63.44 C ATOM 1264 NH1 ARG A 81 17.172 -12.781 0.581 1.00 63.45 N ATOM 1265 NH2 ARG A 81 17.468 -14.859 -0.340 1.00 31.52 N ATOM 0 H ARG A 81 10.996 -13.237 -1.980 1.00 50.43 H new ATOM 0 HA ARG A 81 10.827 -10.423 -2.190 1.00 53.04 H new ATOM 0 HB2 ARG A 81 13.072 -10.461 -1.223 1.00 11.25 H new ATOM 0 HB3 ARG A 81 12.038 -11.611 -0.399 1.00 11.25 H new ATOM 0 HG2 ARG A 81 13.039 -13.457 -1.739 1.00 22.33 H new ATOM 0 HG3 ARG A 81 14.086 -12.301 -2.537 1.00 22.33 H new ATOM 0 HD2 ARG A 81 15.115 -11.695 -0.385 1.00 63.10 H new ATOM 0 HD3 ARG A 81 14.017 -12.762 0.468 1.00 63.10 H new ATOM 0 HE ARG A 81 15.173 -14.522 -1.241 1.00 72.54 H new ATOM 0 HH11 ARG A 81 16.592 -11.956 0.735 1.00 63.45 H new ATOM 0 HH12 ARG A 81 18.109 -12.828 0.981 1.00 63.45 H new ATOM 0 HH21 ARG A 81 17.118 -15.639 -0.897 1.00 31.52 H new ATOM 0 HH22 ARG A 81 18.404 -14.900 0.063 1.00 31.52 H new ATOM 1279 N GLY A 82 12.430 -9.639 -3.989 1.00 22.43 N ATOM 1280 CA GLY A 82 13.076 -9.196 -5.200 1.00 25.33 C ATOM 1281 C GLY A 82 12.076 -8.738 -6.234 1.00 42.20 C ATOM 1282 O GLY A 82 12.412 -8.580 -7.412 1.00 52.21 O ATOM 0 H GLY A 82 12.197 -8.892 -3.335 1.00 22.43 H new ATOM 0 HA2 GLY A 82 13.760 -8.379 -4.969 1.00 25.33 H new ATOM 0 HA3 GLY A 82 13.676 -10.008 -5.610 1.00 25.33 H new ATOM 1286 N GLN A 83 10.852 -8.509 -5.795 1.00 2.43 N ATOM 1287 CA GLN A 83 9.780 -8.109 -6.692 1.00 24.34 C ATOM 1288 C GLN A 83 9.316 -6.693 -6.414 1.00 40.51 C ATOM 1289 O GLN A 83 8.952 -5.963 -7.332 1.00 3.24 O ATOM 1290 CB GLN A 83 8.594 -9.068 -6.574 1.00 1.52 C ATOM 1291 CG GLN A 83 8.854 -10.447 -7.147 1.00 42.04 C ATOM 1292 CD GLN A 83 9.080 -10.417 -8.645 1.00 63.21 C ATOM 1293 OE1 GLN A 83 10.207 -10.274 -9.114 1.00 71.23 O ATOM 1294 NE2 GLN A 83 8.011 -10.546 -9.403 1.00 15.14 N ATOM 0 H GLN A 83 10.573 -8.593 -4.817 1.00 2.43 H new ATOM 0 HA GLN A 83 10.178 -8.146 -7.706 1.00 24.34 H new ATOM 0 HB2 GLN A 83 8.325 -9.168 -5.523 1.00 1.52 H new ATOM 0 HB3 GLN A 83 7.735 -8.631 -7.083 1.00 1.52 H new ATOM 0 HG2 GLN A 83 9.727 -10.881 -6.659 1.00 42.04 H new ATOM 0 HG3 GLN A 83 8.007 -11.096 -6.923 1.00 42.04 H new ATOM 0 HE21 GLN A 83 7.093 -10.663 -8.974 1.00 15.14 H new ATOM 0 HE22 GLN A 83 8.101 -10.529 -10.419 1.00 15.14 H new ATOM 1303 N MET A 84 9.337 -6.299 -5.158 1.00 52.44 N ATOM 1304 CA MET A 84 8.839 -4.989 -4.771 1.00 40.24 C ATOM 1305 C MET A 84 9.960 -4.096 -4.279 1.00 31.40 C ATOM 1306 O MET A 84 11.130 -4.491 -4.273 1.00 42.34 O ATOM 1307 CB MET A 84 7.775 -5.133 -3.683 1.00 52.22 C ATOM 1308 CG MET A 84 6.521 -5.864 -4.133 1.00 34.34 C ATOM 1309 SD MET A 84 5.589 -4.944 -5.373 1.00 65.21 S ATOM 1310 CE MET A 84 4.228 -6.071 -5.671 1.00 44.01 C ATOM 0 H MET A 84 9.692 -6.864 -4.386 1.00 52.44 H new ATOM 0 HA MET A 84 8.397 -4.525 -5.652 1.00 40.24 H new ATOM 0 HB2 MET A 84 8.208 -5.664 -2.835 1.00 52.22 H new ATOM 0 HB3 MET A 84 7.496 -4.140 -3.329 1.00 52.22 H new ATOM 0 HG2 MET A 84 6.798 -6.837 -4.540 1.00 34.34 H new ATOM 0 HG3 MET A 84 5.883 -6.050 -3.269 1.00 34.34 H new ATOM 0 HE1 MET A 84 3.559 -5.644 -6.418 1.00 44.01 H new ATOM 0 HE2 MET A 84 4.616 -7.023 -6.033 1.00 44.01 H new ATOM 0 HE3 MET A 84 3.680 -6.233 -4.743 1.00 44.01 H new ATOM 1320 N GLN A 85 9.604 -2.878 -3.889 1.00 5.01 N ATOM 1321 CA GLN A 85 10.566 -1.945 -3.326 1.00 70.31 C ATOM 1322 C GLN A 85 10.998 -2.471 -1.976 1.00 3.34 C ATOM 1323 O GLN A 85 10.172 -2.944 -1.226 1.00 33.44 O ATOM 1324 CB GLN A 85 9.937 -0.557 -3.160 1.00 45.00 C ATOM 1325 CG GLN A 85 9.313 0.004 -4.427 1.00 43.14 C ATOM 1326 CD GLN A 85 10.297 0.108 -5.574 1.00 4.14 C ATOM 1327 OE1 GLN A 85 10.440 -0.822 -6.373 1.00 55.13 O ATOM 1328 NE2 GLN A 85 10.980 1.229 -5.661 1.00 54.31 N ATOM 0 H GLN A 85 8.653 -2.515 -3.954 1.00 5.01 H new ATOM 0 HA GLN A 85 11.422 -1.853 -3.994 1.00 70.31 H new ATOM 0 HB2 GLN A 85 9.173 -0.608 -2.385 1.00 45.00 H new ATOM 0 HB3 GLN A 85 10.702 0.136 -2.808 1.00 45.00 H new ATOM 0 HG2 GLN A 85 8.479 -0.631 -4.727 1.00 43.14 H new ATOM 0 HG3 GLN A 85 8.902 0.992 -4.217 1.00 43.14 H new ATOM 0 HE21 GLN A 85 10.830 1.972 -4.979 1.00 54.31 H new ATOM 0 HE22 GLN A 85 11.660 1.355 -6.411 1.00 54.31 H new ATOM 1337 N LYS A 86 12.275 -2.380 -1.666 1.00 53.52 N ATOM 1338 CA LYS A 86 12.801 -2.935 -0.411 1.00 15.33 C ATOM 1339 C LYS A 86 12.057 -2.451 0.853 1.00 24.21 C ATOM 1340 O LYS A 86 11.649 -3.278 1.660 1.00 14.25 O ATOM 1341 CB LYS A 86 14.316 -2.742 -0.297 1.00 4.31 C ATOM 1342 CG LYS A 86 15.116 -3.932 -0.827 1.00 64.21 C ATOM 1343 CD LYS A 86 14.734 -4.271 -2.262 1.00 65.34 C ATOM 1344 CE LYS A 86 15.383 -5.565 -2.730 1.00 44.31 C ATOM 1345 NZ LYS A 86 14.905 -6.750 -1.963 1.00 53.42 N ATOM 0 H LYS A 86 12.975 -1.931 -2.256 1.00 53.52 H new ATOM 0 HA LYS A 86 12.605 -4.006 -0.462 1.00 15.33 H new ATOM 0 HB2 LYS A 86 14.604 -1.845 -0.846 1.00 4.31 H new ATOM 0 HB3 LYS A 86 14.577 -2.574 0.748 1.00 4.31 H new ATOM 0 HG2 LYS A 86 16.181 -3.706 -0.777 1.00 64.21 H new ATOM 0 HG3 LYS A 86 14.944 -4.799 -0.190 1.00 64.21 H new ATOM 0 HD2 LYS A 86 13.650 -4.360 -2.338 1.00 65.34 H new ATOM 0 HD3 LYS A 86 15.034 -3.455 -2.920 1.00 65.34 H new ATOM 0 HE2 LYS A 86 15.172 -5.712 -3.789 1.00 44.31 H new ATOM 0 HE3 LYS A 86 16.465 -5.483 -2.629 1.00 44.31 H new ATOM 0 HZ1 LYS A 86 15.241 -7.620 -2.423 1.00 53.42 H new ATOM 0 HZ2 LYS A 86 15.274 -6.707 -0.992 1.00 53.42 H new ATOM 0 HZ3 LYS A 86 13.865 -6.751 -1.938 1.00 53.42 H new ATOM 1359 N PRO A 87 11.850 -1.119 1.048 1.00 73.04 N ATOM 1360 CA PRO A 87 11.102 -0.612 2.217 1.00 11.51 C ATOM 1361 C PRO A 87 9.696 -1.224 2.302 1.00 35.32 C ATOM 1362 O PRO A 87 9.171 -1.470 3.389 1.00 43.52 O ATOM 1363 CB PRO A 87 11.011 0.897 1.956 1.00 3.20 C ATOM 1364 CG PRO A 87 12.161 1.197 1.058 1.00 14.51 C ATOM 1365 CD PRO A 87 12.337 -0.017 0.191 1.00 61.41 C ATOM 0 HA PRO A 87 11.589 -0.864 3.159 1.00 11.51 H new ATOM 0 HB2 PRO A 87 10.063 1.161 1.487 1.00 3.20 H new ATOM 0 HB3 PRO A 87 11.076 1.464 2.885 1.00 3.20 H new ATOM 0 HG2 PRO A 87 11.964 2.083 0.454 1.00 14.51 H new ATOM 0 HG3 PRO A 87 13.064 1.399 1.634 1.00 14.51 H new ATOM 0 HD2 PRO A 87 11.761 0.060 -0.731 1.00 61.41 H new ATOM 0 HD3 PRO A 87 13.379 -0.160 -0.095 1.00 61.41 H new ATOM 1373 N PHE A 88 9.118 -1.485 1.138 1.00 34.32 N ATOM 1374 CA PHE A 88 7.786 -2.071 1.022 1.00 72.25 C ATOM 1375 C PHE A 88 7.856 -3.581 1.255 1.00 72.31 C ATOM 1376 O PHE A 88 7.127 -4.138 2.078 1.00 30.33 O ATOM 1377 CB PHE A 88 7.236 -1.773 -0.393 1.00 61.33 C ATOM 1378 CG PHE A 88 5.909 -2.415 -0.726 1.00 52.31 C ATOM 1379 CD1 PHE A 88 5.836 -3.753 -1.092 1.00 63.31 C ATOM 1380 CD2 PHE A 88 4.743 -1.677 -0.693 1.00 75.01 C ATOM 1381 CE1 PHE A 88 4.629 -4.335 -1.411 1.00 10.44 C ATOM 1382 CE2 PHE A 88 3.530 -2.257 -1.012 1.00 51.31 C ATOM 1383 CZ PHE A 88 3.476 -3.588 -1.371 1.00 75.25 C ATOM 0 H PHE A 88 9.562 -1.295 0.239 1.00 34.32 H new ATOM 0 HA PHE A 88 7.124 -1.639 1.772 1.00 72.25 H new ATOM 0 HB2 PHE A 88 7.135 -0.693 -0.504 1.00 61.33 H new ATOM 0 HB3 PHE A 88 7.973 -2.102 -1.126 1.00 61.33 H new ATOM 0 HD1 PHE A 88 6.738 -4.345 -1.127 1.00 63.31 H new ATOM 0 HD2 PHE A 88 4.779 -0.634 -0.415 1.00 75.01 H new ATOM 0 HE1 PHE A 88 4.589 -5.377 -1.692 1.00 10.44 H new ATOM 0 HE2 PHE A 88 2.625 -1.669 -0.980 1.00 51.31 H new ATOM 0 HZ PHE A 88 2.529 -4.043 -1.620 1.00 75.25 H new ATOM 1393 N GLU A 89 8.750 -4.210 0.527 1.00 22.43 N ATOM 1394 CA GLU A 89 8.948 -5.645 0.546 1.00 23.31 C ATOM 1395 C GLU A 89 9.284 -6.135 1.951 1.00 24.24 C ATOM 1396 O GLU A 89 8.681 -7.088 2.446 1.00 3.11 O ATOM 1397 CB GLU A 89 10.067 -5.986 -0.437 1.00 51.23 C ATOM 1398 CG GLU A 89 10.220 -7.452 -0.751 1.00 42.35 C ATOM 1399 CD GLU A 89 11.118 -7.673 -1.945 1.00 70.14 C ATOM 1400 OE1 GLU A 89 12.359 -7.710 -1.770 1.00 61.11 O ATOM 1401 OE2 GLU A 89 10.592 -7.806 -3.071 1.00 64.12 O ATOM 0 H GLU A 89 9.378 -3.725 -0.114 1.00 22.43 H new ATOM 0 HA GLU A 89 8.028 -6.148 0.248 1.00 23.31 H new ATOM 0 HB2 GLU A 89 9.888 -5.448 -1.368 1.00 51.23 H new ATOM 0 HB3 GLU A 89 11.009 -5.617 -0.032 1.00 51.23 H new ATOM 0 HG2 GLU A 89 10.632 -7.969 0.116 1.00 42.35 H new ATOM 0 HG3 GLU A 89 9.240 -7.887 -0.946 1.00 42.35 H new ATOM 1408 N ASP A 90 10.223 -5.462 2.599 1.00 32.34 N ATOM 1409 CA ASP A 90 10.632 -5.826 3.953 1.00 53.30 C ATOM 1410 C ASP A 90 9.475 -5.716 4.919 1.00 21.21 C ATOM 1411 O ASP A 90 9.326 -6.545 5.814 1.00 71.12 O ATOM 1412 CB ASP A 90 11.794 -4.957 4.431 1.00 42.33 C ATOM 1413 CG ASP A 90 13.112 -5.348 3.808 1.00 34.24 C ATOM 1414 OD1 ASP A 90 13.123 -6.223 2.924 1.00 24.41 O ATOM 1415 OD2 ASP A 90 14.152 -4.791 4.212 1.00 5.31 O ATOM 0 H ASP A 90 10.718 -4.659 2.211 1.00 32.34 H new ATOM 0 HA ASP A 90 10.964 -6.864 3.924 1.00 53.30 H new ATOM 0 HB2 ASP A 90 11.582 -3.914 4.197 1.00 42.33 H new ATOM 0 HB3 ASP A 90 11.874 -5.030 5.516 1.00 42.33 H new ATOM 1420 N ALA A 91 8.645 -4.701 4.724 1.00 22.44 N ATOM 1421 CA ALA A 91 7.481 -4.490 5.570 1.00 51.44 C ATOM 1422 C ALA A 91 6.449 -5.584 5.338 1.00 74.34 C ATOM 1423 O ALA A 91 5.749 -5.992 6.258 1.00 31.04 O ATOM 1424 CB ALA A 91 6.871 -3.121 5.307 1.00 12.44 C ATOM 0 H ALA A 91 8.758 -4.008 3.984 1.00 22.44 H new ATOM 0 HA ALA A 91 7.801 -4.531 6.611 1.00 51.44 H new ATOM 0 HB1 ALA A 91 6.001 -2.981 5.949 1.00 12.44 H new ATOM 0 HB2 ALA A 91 7.608 -2.347 5.521 1.00 12.44 H new ATOM 0 HB3 ALA A 91 6.566 -3.053 4.263 1.00 12.44 H new ATOM 1430 N SER A 92 6.378 -6.065 4.106 1.00 52.03 N ATOM 1431 CA SER A 92 5.442 -7.118 3.746 1.00 34.24 C ATOM 1432 C SER A 92 5.838 -8.435 4.418 1.00 50.13 C ATOM 1433 O SER A 92 4.990 -9.165 4.930 1.00 44.21 O ATOM 1434 CB SER A 92 5.404 -7.289 2.225 1.00 61.14 C ATOM 1435 OG SER A 92 5.140 -6.051 1.579 1.00 51.34 O ATOM 0 H SER A 92 6.961 -5.740 3.335 1.00 52.03 H new ATOM 0 HA SER A 92 4.448 -6.837 4.094 1.00 34.24 H new ATOM 0 HB2 SER A 92 6.356 -7.689 1.877 1.00 61.14 H new ATOM 0 HB3 SER A 92 4.636 -8.014 1.956 1.00 61.14 H new ATOM 0 HG SER A 92 5.896 -5.442 1.717 1.00 51.34 H new ATOM 1441 N PHE A 93 7.139 -8.716 4.432 1.00 21.51 N ATOM 1442 CA PHE A 93 7.656 -9.935 5.044 1.00 51.42 C ATOM 1443 C PHE A 93 7.767 -9.801 6.557 1.00 22.22 C ATOM 1444 O PHE A 93 8.031 -10.776 7.253 1.00 70.33 O ATOM 1445 CB PHE A 93 9.014 -10.316 4.445 1.00 44.22 C ATOM 1446 CG PHE A 93 8.928 -10.836 3.038 1.00 23.41 C ATOM 1447 CD1 PHE A 93 8.531 -12.137 2.796 1.00 15.34 C ATOM 1448 CD2 PHE A 93 9.242 -10.027 1.961 1.00 31.52 C ATOM 1449 CE1 PHE A 93 8.447 -12.622 1.509 1.00 71.33 C ATOM 1450 CE2 PHE A 93 9.160 -10.508 0.669 1.00 11.40 C ATOM 1451 CZ PHE A 93 8.762 -11.808 0.444 1.00 62.31 C ATOM 0 H PHE A 93 7.855 -8.114 4.025 1.00 21.51 H new ATOM 0 HA PHE A 93 6.943 -10.731 4.828 1.00 51.42 H new ATOM 0 HB2 PHE A 93 9.666 -9.443 4.461 1.00 44.22 H new ATOM 0 HB3 PHE A 93 9.480 -11.074 5.075 1.00 44.22 H new ATOM 0 HD1 PHE A 93 8.283 -12.782 3.626 1.00 15.34 H new ATOM 0 HD2 PHE A 93 9.555 -9.008 2.132 1.00 31.52 H new ATOM 0 HE1 PHE A 93 8.134 -13.641 1.336 1.00 71.33 H new ATOM 0 HE2 PHE A 93 9.407 -9.866 -0.164 1.00 11.40 H new ATOM 0 HZ PHE A 93 8.697 -12.187 -0.565 1.00 62.31 H new ATOM 1461 N ALA A 94 7.565 -8.594 7.063 1.00 51.42 N ATOM 1462 CA ALA A 94 7.634 -8.347 8.497 1.00 75.25 C ATOM 1463 C ALA A 94 6.272 -8.541 9.141 1.00 20.03 C ATOM 1464 O ALA A 94 6.127 -8.448 10.366 1.00 52.55 O ATOM 1465 CB ALA A 94 8.154 -6.944 8.772 1.00 62.01 C ATOM 0 H ALA A 94 7.352 -7.769 6.502 1.00 51.42 H new ATOM 0 HA ALA A 94 8.327 -9.066 8.934 1.00 75.25 H new ATOM 0 HB1 ALA A 94 8.199 -6.777 9.848 1.00 62.01 H new ATOM 0 HB2 ALA A 94 9.151 -6.836 8.346 1.00 62.01 H new ATOM 0 HB3 ALA A 94 7.485 -6.213 8.319 1.00 62.01 H new ATOM 1471 N LEU A 95 5.275 -8.809 8.315 1.00 35.14 N ATOM 1472 CA LEU A 95 3.922 -9.007 8.790 1.00 71.14 C ATOM 1473 C LEU A 95 3.700 -10.456 9.191 1.00 20.44 C ATOM 1474 O LEU A 95 3.858 -11.366 8.382 1.00 53.23 O ATOM 1475 CB LEU A 95 2.915 -8.589 7.720 1.00 32.32 C ATOM 1476 CG LEU A 95 2.972 -7.119 7.304 1.00 75.52 C ATOM 1477 CD1 LEU A 95 1.958 -6.829 6.214 1.00 72.02 C ATOM 1478 CD2 LEU A 95 2.740 -6.215 8.504 1.00 63.34 C ATOM 0 H LEU A 95 5.382 -8.894 7.304 1.00 35.14 H new ATOM 0 HA LEU A 95 3.773 -8.382 9.670 1.00 71.14 H new ATOM 0 HB2 LEU A 95 3.074 -9.206 6.835 1.00 32.32 H new ATOM 0 HB3 LEU A 95 1.911 -8.807 8.085 1.00 32.32 H new ATOM 0 HG LEU A 95 3.966 -6.915 6.907 1.00 75.52 H new ATOM 0 HD11 LEU A 95 2.016 -5.777 5.933 1.00 72.02 H new ATOM 0 HD12 LEU A 95 2.172 -7.449 5.344 1.00 72.02 H new ATOM 0 HD13 LEU A 95 0.956 -7.052 6.581 1.00 72.02 H new ATOM 0 HD21 LEU A 95 2.784 -5.173 8.188 1.00 63.34 H new ATOM 0 HD22 LEU A 95 1.759 -6.423 8.932 1.00 63.34 H new ATOM 0 HD23 LEU A 95 3.510 -6.400 9.253 1.00 63.34 H new ATOM 1490 N ARG A 96 3.339 -10.657 10.447 1.00 11.34 N ATOM 1491 CA ARG A 96 3.099 -11.989 10.994 1.00 42.12 C ATOM 1492 C ARG A 96 1.896 -12.689 10.319 1.00 22.43 C ATOM 1493 O ARG A 96 2.077 -13.545 9.466 1.00 13.23 O ATOM 1494 CB ARG A 96 2.936 -11.909 12.530 1.00 75.31 C ATOM 1495 CG ARG A 96 2.023 -10.779 13.004 1.00 71.42 C ATOM 1496 CD ARG A 96 2.144 -10.535 14.493 1.00 12.12 C ATOM 1497 NE ARG A 96 1.292 -9.425 14.920 1.00 51.11 N ATOM 1498 CZ ARG A 96 0.807 -9.275 16.147 1.00 11.54 C ATOM 1499 NH1 ARG A 96 1.133 -10.131 17.107 1.00 15.02 N ATOM 1500 NH2 ARG A 96 0.007 -8.254 16.412 1.00 53.32 N ATOM 0 H ARG A 96 3.203 -9.903 11.120 1.00 11.34 H new ATOM 0 HA ARG A 96 3.969 -12.608 10.774 1.00 42.12 H new ATOM 0 HB2 ARG A 96 2.540 -12.858 12.892 1.00 75.31 H new ATOM 0 HB3 ARG A 96 3.919 -11.781 12.982 1.00 75.31 H new ATOM 0 HG2 ARG A 96 2.270 -9.864 12.466 1.00 71.42 H new ATOM 0 HG3 ARG A 96 0.989 -11.023 12.760 1.00 71.42 H new ATOM 0 HD2 ARG A 96 1.867 -11.439 15.036 1.00 12.12 H new ATOM 0 HD3 ARG A 96 3.182 -10.318 14.745 1.00 12.12 H new ATOM 0 HE ARG A 96 1.054 -8.716 14.226 1.00 51.11 H new ATOM 0 HH11 ARG A 96 1.760 -10.910 16.905 1.00 15.02 H new ATOM 0 HH12 ARG A 96 0.757 -10.010 18.047 1.00 15.02 H new ATOM 0 HH21 ARG A 96 -0.233 -7.590 15.676 1.00 53.32 H new ATOM 0 HH22 ARG A 96 -0.370 -8.132 17.352 1.00 53.32 H new ATOM 1514 N THR A 97 0.692 -12.317 10.704 1.00 42.12 N ATOM 1515 CA THR A 97 -0.532 -12.875 10.142 1.00 50.21 C ATOM 1516 C THR A 97 -1.694 -11.961 10.498 1.00 4.03 C ATOM 1517 O THR A 97 -1.893 -11.641 11.669 1.00 13.22 O ATOM 1518 CB THR A 97 -0.811 -14.312 10.676 1.00 53.21 C ATOM 1519 OG1 THR A 97 0.210 -15.216 10.217 1.00 53.34 O ATOM 1520 CG2 THR A 97 -2.172 -14.816 10.213 1.00 24.15 C ATOM 0 H THR A 97 0.529 -11.612 11.423 1.00 42.12 H new ATOM 0 HA THR A 97 -0.416 -12.944 9.060 1.00 50.21 H new ATOM 0 HB THR A 97 -0.806 -14.270 11.765 1.00 53.21 H new ATOM 0 HG1 THR A 97 0.844 -14.732 9.648 1.00 53.34 H new ATOM 0 HG21 THR A 97 -2.339 -15.821 10.601 1.00 24.15 H new ATOM 0 HG22 THR A 97 -2.952 -14.150 10.583 1.00 24.15 H new ATOM 0 HG23 THR A 97 -2.200 -14.838 9.124 1.00 24.15 H new ATOM 1528 N GLY A 98 -2.439 -11.517 9.487 1.00 32.23 N ATOM 1529 CA GLY A 98 -3.536 -10.592 9.726 1.00 33.40 C ATOM 1530 C GLY A 98 -3.041 -9.294 10.330 1.00 32.31 C ATOM 1531 O GLY A 98 -3.745 -8.641 11.096 1.00 0.44 O ATOM 0 H GLY A 98 -2.304 -11.780 8.511 1.00 32.23 H new ATOM 0 HA2 GLY A 98 -4.051 -10.386 8.788 1.00 33.40 H new ATOM 0 HA3 GLY A 98 -4.263 -11.052 10.395 1.00 33.40 H new ATOM 1535 N GLU A 99 -1.820 -8.931 9.982 1.00 4.34 N ATOM 1536 CA GLU A 99 -1.193 -7.743 10.511 1.00 23.30 C ATOM 1537 C GLU A 99 -0.990 -6.721 9.402 1.00 42.11 C ATOM 1538 O GLU A 99 -0.815 -7.087 8.231 1.00 75.54 O ATOM 1539 CB GLU A 99 0.147 -8.107 11.171 1.00 55.23 C ATOM 1540 CG GLU A 99 0.813 -6.958 11.910 1.00 1.42 C ATOM 1541 CD GLU A 99 -0.095 -6.332 12.943 1.00 2.01 C ATOM 1542 OE1 GLU A 99 -0.132 -6.822 14.091 1.00 21.23 O ATOM 1543 OE2 GLU A 99 -0.785 -5.353 12.609 1.00 52.05 O ATOM 0 H GLU A 99 -1.240 -9.453 9.326 1.00 4.34 H new ATOM 0 HA GLU A 99 -1.842 -7.302 11.268 1.00 23.30 H new ATOM 0 HB2 GLU A 99 -0.017 -8.927 11.870 1.00 55.23 H new ATOM 0 HB3 GLU A 99 0.829 -8.474 10.404 1.00 55.23 H new ATOM 0 HG2 GLU A 99 1.718 -7.320 12.398 1.00 1.42 H new ATOM 0 HG3 GLU A 99 1.120 -6.198 11.192 1.00 1.42 H new ATOM 1550 N MET A 100 -1.013 -5.457 9.770 1.00 61.15 N ATOM 1551 CA MET A 100 -0.872 -4.375 8.816 1.00 53.31 C ATOM 1552 C MET A 100 0.301 -3.490 9.204 1.00 40.44 C ATOM 1553 O MET A 100 0.438 -3.107 10.367 1.00 44.14 O ATOM 1554 CB MET A 100 -2.166 -3.552 8.768 1.00 4.34 C ATOM 1555 CG MET A 100 -2.167 -2.445 7.726 1.00 55.23 C ATOM 1556 SD MET A 100 -3.698 -1.489 7.723 1.00 44.43 S ATOM 1557 CE MET A 100 -4.898 -2.748 7.297 1.00 30.45 C ATOM 0 H MET A 100 -1.130 -5.150 10.736 1.00 61.15 H new ATOM 0 HA MET A 100 -0.683 -4.792 7.827 1.00 53.31 H new ATOM 0 HB2 MET A 100 -3.002 -4.223 8.569 1.00 4.34 H new ATOM 0 HB3 MET A 100 -2.338 -3.111 9.750 1.00 4.34 H new ATOM 0 HG2 MET A 100 -1.327 -1.776 7.912 1.00 55.23 H new ATOM 0 HG3 MET A 100 -2.014 -2.881 6.739 1.00 55.23 H new ATOM 0 HE1 MET A 100 -5.878 -2.288 7.171 1.00 30.45 H new ATOM 0 HE2 MET A 100 -4.602 -3.233 6.367 1.00 30.45 H new ATOM 0 HE3 MET A 100 -4.945 -3.490 8.094 1.00 30.45 H new ATOM 1567 N SER A 101 1.147 -3.172 8.241 1.00 22.45 N ATOM 1568 CA SER A 101 2.305 -2.336 8.498 1.00 35.21 C ATOM 1569 C SER A 101 1.894 -0.876 8.628 1.00 23.01 C ATOM 1570 O SER A 101 2.523 -0.103 9.348 1.00 53.13 O ATOM 1571 CB SER A 101 3.338 -2.512 7.386 1.00 1.12 C ATOM 1572 OG SER A 101 2.727 -2.427 6.110 1.00 22.51 O ATOM 0 H SER A 101 1.054 -3.480 7.273 1.00 22.45 H new ATOM 0 HA SER A 101 2.756 -2.644 9.441 1.00 35.21 H new ATOM 0 HB2 SER A 101 4.109 -1.747 7.476 1.00 1.12 H new ATOM 0 HB3 SER A 101 3.833 -3.477 7.493 1.00 1.12 H new ATOM 0 HG SER A 101 2.586 -1.486 5.877 1.00 22.51 H new ATOM 1578 N GLY A 102 0.832 -0.511 7.939 1.00 43.03 N ATOM 1579 CA GLY A 102 0.347 0.839 8.006 1.00 54.34 C ATOM 1580 C GLY A 102 0.872 1.682 6.870 1.00 50.22 C ATOM 1581 O GLY A 102 0.862 1.242 5.722 1.00 51.41 O ATOM 0 H GLY A 102 0.296 -1.131 7.332 1.00 43.03 H new ATOM 0 HA2 GLY A 102 -0.743 0.835 7.982 1.00 54.34 H new ATOM 0 HA3 GLY A 102 0.643 1.284 8.956 1.00 54.34 H new ATOM 1585 N PRO A 103 1.347 2.898 7.160 1.00 21.15 N ATOM 1586 CA PRO A 103 1.856 3.796 6.147 1.00 53.23 C ATOM 1587 C PRO A 103 3.326 3.536 5.814 1.00 24.35 C ATOM 1588 O PRO A 103 4.230 3.924 6.561 1.00 70.51 O ATOM 1589 CB PRO A 103 1.679 5.173 6.787 1.00 74.50 C ATOM 1590 CG PRO A 103 1.806 4.935 8.260 1.00 24.52 C ATOM 1591 CD PRO A 103 1.420 3.490 8.511 1.00 64.12 C ATOM 0 HA PRO A 103 1.336 3.680 5.196 1.00 53.23 H new ATOM 0 HB2 PRO A 103 2.436 5.873 6.434 1.00 74.50 H new ATOM 0 HB3 PRO A 103 0.708 5.602 6.539 1.00 74.50 H new ATOM 0 HG2 PRO A 103 2.826 5.125 8.595 1.00 24.52 H new ATOM 0 HG3 PRO A 103 1.156 5.610 8.817 1.00 24.52 H new ATOM 0 HD2 PRO A 103 2.159 2.981 9.130 1.00 64.12 H new ATOM 0 HD3 PRO A 103 0.465 3.417 9.031 1.00 64.12 H new ATOM 1599 N VAL A 104 3.559 2.850 4.717 1.00 44.35 N ATOM 1600 CA VAL A 104 4.908 2.591 4.262 1.00 3.30 C ATOM 1601 C VAL A 104 5.300 3.616 3.211 1.00 11.54 C ATOM 1602 O VAL A 104 4.738 3.642 2.109 1.00 51.12 O ATOM 1603 CB VAL A 104 5.057 1.167 3.686 1.00 23.10 C ATOM 1604 CG1 VAL A 104 6.492 0.910 3.249 1.00 72.20 C ATOM 1605 CG2 VAL A 104 4.617 0.132 4.710 1.00 22.10 C ATOM 0 H VAL A 104 2.829 2.460 4.121 1.00 44.35 H new ATOM 0 HA VAL A 104 5.571 2.670 5.123 1.00 3.30 H new ATOM 0 HB VAL A 104 4.414 1.082 2.810 1.00 23.10 H new ATOM 0 HG11 VAL A 104 6.574 -0.099 2.846 1.00 72.20 H new ATOM 0 HG12 VAL A 104 6.773 1.631 2.481 1.00 72.20 H new ATOM 0 HG13 VAL A 104 7.157 1.014 4.106 1.00 72.20 H new ATOM 0 HG21 VAL A 104 4.728 -0.867 4.288 1.00 22.10 H new ATOM 0 HG22 VAL A 104 5.234 0.219 5.604 1.00 22.10 H new ATOM 0 HG23 VAL A 104 3.573 0.301 4.972 1.00 22.10 H new ATOM 1615 N PHE A 105 6.244 4.463 3.557 1.00 64.23 N ATOM 1616 CA PHE A 105 6.682 5.527 2.677 1.00 24.31 C ATOM 1617 C PHE A 105 7.727 5.027 1.694 1.00 43.43 C ATOM 1618 O PHE A 105 8.715 4.398 2.081 1.00 13.44 O ATOM 1619 CB PHE A 105 7.241 6.692 3.493 1.00 73.01 C ATOM 1620 CG PHE A 105 6.245 7.301 4.442 1.00 61.14 C ATOM 1621 CD1 PHE A 105 6.070 6.779 5.715 1.00 32.12 C ATOM 1622 CD2 PHE A 105 5.484 8.391 4.061 1.00 10.52 C ATOM 1623 CE1 PHE A 105 5.156 7.334 6.586 1.00 64.04 C ATOM 1624 CE2 PHE A 105 4.568 8.950 4.929 1.00 33.21 C ATOM 1625 CZ PHE A 105 4.404 8.420 6.193 1.00 33.14 C ATOM 0 H PHE A 105 6.729 4.435 4.454 1.00 64.23 H new ATOM 0 HA PHE A 105 5.819 5.873 2.109 1.00 24.31 H new ATOM 0 HB2 PHE A 105 8.104 6.345 4.061 1.00 73.01 H new ATOM 0 HB3 PHE A 105 7.597 7.464 2.811 1.00 73.01 H new ATOM 0 HD1 PHE A 105 6.656 5.928 6.028 1.00 32.12 H new ATOM 0 HD2 PHE A 105 5.608 8.810 3.073 1.00 10.52 H new ATOM 0 HE1 PHE A 105 5.030 6.918 7.575 1.00 64.04 H new ATOM 0 HE2 PHE A 105 3.980 9.801 4.620 1.00 33.21 H new ATOM 0 HZ PHE A 105 3.687 8.856 6.873 1.00 33.14 H new ATOM 1635 N THR A 106 7.501 5.303 0.428 1.00 2.23 N ATOM 1636 CA THR A 106 8.406 4.899 -0.630 1.00 40.30 C ATOM 1637 C THR A 106 8.495 5.993 -1.681 1.00 75.31 C ATOM 1638 O THR A 106 7.801 7.010 -1.589 1.00 24.42 O ATOM 1639 CB THR A 106 7.927 3.601 -1.313 1.00 15.23 C ATOM 1640 OG1 THR A 106 6.547 3.735 -1.668 1.00 52.41 O ATOM 1641 CG2 THR A 106 8.108 2.391 -0.405 1.00 43.12 C ATOM 0 H THR A 106 6.682 5.816 0.101 1.00 2.23 H new ATOM 0 HA THR A 106 9.383 4.724 -0.179 1.00 40.30 H new ATOM 0 HB THR A 106 8.531 3.442 -2.206 1.00 15.23 H new ATOM 0 HG1 THR A 106 6.096 2.872 -1.559 1.00 52.41 H new ATOM 0 HG21 THR A 106 7.760 1.495 -0.919 1.00 43.12 H new ATOM 0 HG22 THR A 106 9.163 2.279 -0.154 1.00 43.12 H new ATOM 0 HG23 THR A 106 7.531 2.532 0.509 1.00 43.12 H new ATOM 1649 N ASP A 107 9.328 5.772 -2.685 1.00 1.11 N ATOM 1650 CA ASP A 107 9.496 6.722 -3.779 1.00 35.04 C ATOM 1651 C ASP A 107 8.195 6.874 -4.574 1.00 11.15 C ATOM 1652 O ASP A 107 7.887 7.950 -5.092 1.00 11.30 O ATOM 1653 CB ASP A 107 10.633 6.263 -4.695 1.00 33.14 C ATOM 1654 CG ASP A 107 10.814 7.150 -5.904 1.00 22.21 C ATOM 1655 OD1 ASP A 107 11.127 8.351 -5.729 1.00 11.41 O ATOM 1656 OD2 ASP A 107 10.653 6.648 -7.037 1.00 14.33 O ATOM 0 H ASP A 107 9.905 4.935 -2.767 1.00 1.11 H new ATOM 0 HA ASP A 107 9.749 7.696 -3.359 1.00 35.04 H new ATOM 0 HB2 ASP A 107 11.563 6.240 -4.126 1.00 33.14 H new ATOM 0 HB3 ASP A 107 10.436 5.243 -5.026 1.00 33.14 H new ATOM 1661 N SER A 108 7.432 5.796 -4.648 1.00 4.30 N ATOM 1662 CA SER A 108 6.164 5.801 -5.352 1.00 30.33 C ATOM 1663 C SER A 108 5.105 6.572 -4.553 1.00 11.21 C ATOM 1664 O SER A 108 4.217 7.209 -5.123 1.00 70.14 O ATOM 1665 CB SER A 108 5.702 4.364 -5.578 1.00 21.40 C ATOM 1666 OG SER A 108 6.770 3.563 -6.061 1.00 43.00 O ATOM 0 H SER A 108 7.673 4.900 -4.225 1.00 4.30 H new ATOM 0 HA SER A 108 6.297 6.297 -6.314 1.00 30.33 H new ATOM 0 HB2 SER A 108 5.322 3.948 -4.645 1.00 21.40 H new ATOM 0 HB3 SER A 108 4.878 4.350 -6.292 1.00 21.40 H new ATOM 0 HG SER A 108 6.455 2.645 -6.198 1.00 43.00 H new ATOM 1672 N GLY A 109 5.221 6.520 -3.236 1.00 31.21 N ATOM 1673 CA GLY A 109 4.269 7.183 -2.378 1.00 64.55 C ATOM 1674 C GLY A 109 4.048 6.414 -1.098 1.00 22.41 C ATOM 1675 O GLY A 109 4.959 5.750 -0.607 1.00 72.31 O ATOM 0 H GLY A 109 5.965 6.025 -2.744 1.00 31.21 H new ATOM 0 HA2 GLY A 109 4.626 8.186 -2.144 1.00 64.55 H new ATOM 0 HA3 GLY A 109 3.321 7.296 -2.904 1.00 64.55 H new ATOM 1679 N ILE A 110 2.842 6.481 -0.564 1.00 42.20 N ATOM 1680 CA ILE A 110 2.523 5.776 0.668 1.00 34.32 C ATOM 1681 C ILE A 110 1.777 4.493 0.351 1.00 2.40 C ATOM 1682 O ILE A 110 0.789 4.508 -0.386 1.00 32.10 O ATOM 1683 CB ILE A 110 1.668 6.643 1.629 1.00 22.02 C ATOM 1684 CG1 ILE A 110 2.424 7.916 2.017 1.00 74.12 C ATOM 1685 CG2 ILE A 110 1.299 5.847 2.879 1.00 74.35 C ATOM 1686 CD1 ILE A 110 1.591 8.904 2.812 1.00 63.43 C ATOM 0 H ILE A 110 2.068 7.014 -0.961 1.00 42.20 H new ATOM 0 HA ILE A 110 3.465 5.549 1.167 1.00 34.32 H new ATOM 0 HB ILE A 110 0.751 6.927 1.113 1.00 22.02 H new ATOM 0 HG12 ILE A 110 3.302 7.642 2.602 1.00 74.12 H new ATOM 0 HG13 ILE A 110 2.784 8.404 1.111 1.00 74.12 H new ATOM 0 HG21 ILE A 110 0.699 6.470 3.543 1.00 74.35 H new ATOM 0 HG22 ILE A 110 0.726 4.965 2.593 1.00 74.35 H new ATOM 0 HG23 ILE A 110 2.208 5.537 3.395 1.00 74.35 H new ATOM 0 HD11 ILE A 110 2.194 9.780 3.050 1.00 63.43 H new ATOM 0 HD12 ILE A 110 0.726 9.208 2.222 1.00 63.43 H new ATOM 0 HD13 ILE A 110 1.253 8.434 3.736 1.00 63.43 H new ATOM 1698 N HIS A 111 2.263 3.390 0.882 1.00 34.33 N ATOM 1699 CA HIS A 111 1.640 2.100 0.662 1.00 72.42 C ATOM 1700 C HIS A 111 1.094 1.534 1.951 1.00 1.41 C ATOM 1701 O HIS A 111 1.769 1.551 2.975 1.00 4.34 O ATOM 1702 CB HIS A 111 2.634 1.097 0.076 1.00 42.11 C ATOM 1703 CG HIS A 111 3.073 1.381 -1.322 1.00 23.42 C ATOM 1704 ND1 HIS A 111 4.169 2.010 -1.791 1.00 34.43 N flip ATOM 1705 CD2 HIS A 111 2.378 0.962 -2.427 1.00 41.24 C flip ATOM 1706 CE1 HIS A 111 4.122 1.954 -3.159 1.00 15.44 C flip ATOM 1707 NE2 HIS A 111 3.028 1.315 -3.514 1.00 22.13 N flip ATOM 0 H HIS A 111 3.094 3.361 1.473 1.00 34.33 H new ATOM 0 HA HIS A 111 0.825 2.260 -0.044 1.00 72.42 H new ATOM 0 HB2 HIS A 111 3.515 1.066 0.717 1.00 42.11 H new ATOM 0 HB3 HIS A 111 2.184 0.105 0.104 1.00 42.11 H new ATOM 0 HD2 HIS A 111 1.441 0.425 -2.408 1.00 41.24 H new ATOM 0 HE1 HIS A 111 4.859 2.365 -3.833 1.00 15.44 H new ATOM 0 HE2 HIS A 111 2.734 1.125 -4.472 1.00 22.13 H new ATOM 1716 N ILE A 112 -0.124 1.046 1.897 1.00 5.33 N ATOM 1717 CA ILE A 112 -0.726 0.367 3.027 1.00 11.44 C ATOM 1718 C ILE A 112 -0.636 -1.127 2.780 1.00 63.22 C ATOM 1719 O ILE A 112 -1.243 -1.640 1.835 1.00 2.03 O ATOM 1720 CB ILE A 112 -2.212 0.755 3.218 1.00 13.11 C ATOM 1721 CG1 ILE A 112 -2.366 2.277 3.321 1.00 64.53 C ATOM 1722 CG2 ILE A 112 -2.782 0.074 4.461 1.00 13.51 C ATOM 1723 CD1 ILE A 112 -3.806 2.736 3.453 1.00 70.42 C ATOM 0 H ILE A 112 -0.724 1.107 1.075 1.00 5.33 H new ATOM 0 HA ILE A 112 -0.191 0.660 3.930 1.00 11.44 H new ATOM 0 HB ILE A 112 -2.772 0.414 2.347 1.00 13.11 H new ATOM 0 HG12 ILE A 112 -1.800 2.633 4.182 1.00 64.53 H new ATOM 0 HG13 ILE A 112 -1.926 2.739 2.437 1.00 64.53 H new ATOM 0 HG21 ILE A 112 -3.828 0.356 4.583 1.00 13.51 H new ATOM 0 HG22 ILE A 112 -2.708 -1.008 4.349 1.00 13.51 H new ATOM 0 HG23 ILE A 112 -2.217 0.387 5.339 1.00 13.51 H new ATOM 0 HD11 ILE A 112 -3.836 3.823 3.521 1.00 70.42 H new ATOM 0 HD12 ILE A 112 -4.373 2.411 2.581 1.00 70.42 H new ATOM 0 HD13 ILE A 112 -4.245 2.304 4.352 1.00 70.42 H new ATOM 1735 N ILE A 113 0.141 -1.818 3.590 1.00 61.33 N ATOM 1736 CA ILE A 113 0.341 -3.244 3.401 1.00 62.13 C ATOM 1737 C ILE A 113 -0.337 -4.048 4.497 1.00 71.22 C ATOM 1738 O ILE A 113 -0.147 -3.785 5.689 1.00 74.43 O ATOM 1739 CB ILE A 113 1.842 -3.611 3.388 1.00 61.43 C ATOM 1740 CG1 ILE A 113 2.623 -2.659 2.484 1.00 25.10 C ATOM 1741 CG2 ILE A 113 2.030 -5.054 2.927 1.00 5.32 C ATOM 1742 CD1 ILE A 113 4.118 -2.870 2.538 1.00 54.32 C ATOM 0 H ILE A 113 0.643 -1.419 4.383 1.00 61.33 H new ATOM 0 HA ILE A 113 -0.102 -3.490 2.436 1.00 62.13 H new ATOM 0 HB ILE A 113 2.228 -3.514 4.403 1.00 61.43 H new ATOM 0 HG12 ILE A 113 2.283 -2.785 1.456 1.00 25.10 H new ATOM 0 HG13 ILE A 113 2.398 -1.632 2.770 1.00 25.10 H new ATOM 0 HG21 ILE A 113 3.092 -5.299 2.923 1.00 5.32 H new ATOM 0 HG22 ILE A 113 1.506 -5.725 3.608 1.00 5.32 H new ATOM 0 HG23 ILE A 113 1.627 -5.170 1.921 1.00 5.32 H new ATOM 0 HD11 ILE A 113 4.610 -2.161 1.872 1.00 54.32 H new ATOM 0 HD12 ILE A 113 4.471 -2.715 3.558 1.00 54.32 H new ATOM 0 HD13 ILE A 113 4.354 -3.887 2.223 1.00 54.32 H new ATOM 1754 N LEU A 114 -1.124 -5.017 4.090 1.00 33.22 N ATOM 1755 CA LEU A 114 -1.786 -5.915 5.012 1.00 33.33 C ATOM 1756 C LEU A 114 -1.551 -7.340 4.552 1.00 15.31 C ATOM 1757 O LEU A 114 -1.711 -7.641 3.372 1.00 4.42 O ATOM 1758 CB LEU A 114 -3.292 -5.611 5.040 1.00 41.41 C ATOM 1759 CG LEU A 114 -4.181 -6.614 5.788 1.00 33.40 C ATOM 1760 CD1 LEU A 114 -3.878 -6.613 7.276 1.00 42.32 C ATOM 1761 CD2 LEU A 114 -5.649 -6.305 5.543 1.00 14.23 C ATOM 0 H LEU A 114 -1.325 -5.206 3.108 1.00 33.22 H new ATOM 0 HA LEU A 114 -1.385 -5.782 6.017 1.00 33.33 H new ATOM 0 HB2 LEU A 114 -3.433 -4.629 5.490 1.00 41.41 H new ATOM 0 HB3 LEU A 114 -3.645 -5.544 4.011 1.00 41.41 H new ATOM 0 HG LEU A 114 -3.964 -7.610 5.403 1.00 33.40 H new ATOM 0 HD11 LEU A 114 -4.523 -7.333 7.779 1.00 42.32 H new ATOM 0 HD12 LEU A 114 -2.835 -6.887 7.435 1.00 42.32 H new ATOM 0 HD13 LEU A 114 -4.058 -5.618 7.683 1.00 42.32 H new ATOM 0 HD21 LEU A 114 -6.267 -7.025 6.080 1.00 14.23 H new ATOM 0 HD22 LEU A 114 -5.873 -5.299 5.897 1.00 14.23 H new ATOM 0 HD23 LEU A 114 -5.861 -6.370 4.476 1.00 14.23 H new ATOM 1773 N ARG A 115 -1.191 -8.222 5.468 1.00 71.52 N ATOM 1774 CA ARG A 115 -0.945 -9.601 5.095 1.00 52.53 C ATOM 1775 C ARG A 115 -2.193 -10.426 5.285 1.00 14.43 C ATOM 1776 O ARG A 115 -2.475 -10.916 6.383 1.00 23.15 O ATOM 1777 CB ARG A 115 0.234 -10.210 5.865 1.00 61.11 C ATOM 1778 CG ARG A 115 0.622 -11.602 5.369 1.00 1.11 C ATOM 1779 CD ARG A 115 1.860 -12.134 6.070 1.00 51.54 C ATOM 1780 NE ARG A 115 2.208 -13.487 5.617 1.00 14.42 N ATOM 1781 CZ ARG A 115 3.104 -14.278 6.211 1.00 20.32 C ATOM 1782 NH1 ARG A 115 3.794 -13.845 7.259 1.00 42.23 N ATOM 1783 NH2 ARG A 115 3.316 -15.497 5.745 1.00 23.51 N ATOM 0 H ARG A 115 -1.065 -8.012 6.458 1.00 71.52 H new ATOM 0 HA ARG A 115 -0.672 -9.610 4.040 1.00 52.53 H new ATOM 0 HB2 ARG A 115 1.096 -9.548 5.780 1.00 61.11 H new ATOM 0 HB3 ARG A 115 -0.022 -10.267 6.923 1.00 61.11 H new ATOM 0 HG2 ARG A 115 -0.209 -12.289 5.531 1.00 1.11 H new ATOM 0 HG3 ARG A 115 0.801 -11.566 4.294 1.00 1.11 H new ATOM 0 HD2 ARG A 115 2.698 -11.463 5.885 1.00 51.54 H new ATOM 0 HD3 ARG A 115 1.691 -12.144 7.147 1.00 51.54 H new ATOM 0 HE ARG A 115 1.731 -13.847 4.790 1.00 14.42 H new ATOM 0 HH11 ARG A 115 3.641 -12.902 7.616 1.00 42.23 H new ATOM 0 HH12 ARG A 115 4.477 -14.456 7.708 1.00 42.23 H new ATOM 0 HH21 ARG A 115 2.795 -15.831 4.934 1.00 23.51 H new ATOM 0 HH22 ARG A 115 4.000 -16.104 6.197 1.00 23.51 H new ATOM 1797 N THR A 116 -2.937 -10.562 4.214 1.00 64.03 N ATOM 1798 CA THR A 116 -4.179 -11.297 4.201 1.00 64.15 C ATOM 1799 C THR A 116 -3.932 -12.791 3.974 1.00 2.31 C ATOM 1800 O THR A 116 -4.666 -13.454 3.239 1.00 23.25 O ATOM 1801 CB THR A 116 -5.084 -10.740 3.095 1.00 43.54 C ATOM 1802 OG1 THR A 116 -4.278 -10.404 1.949 1.00 15.25 O ATOM 1803 CG2 THR A 116 -5.814 -9.498 3.579 1.00 4.35 C ATOM 0 H THR A 116 -2.692 -10.158 3.310 1.00 64.03 H new ATOM 0 HA THR A 116 -4.665 -11.181 5.170 1.00 64.15 H new ATOM 0 HB THR A 116 -5.821 -11.497 2.826 1.00 43.54 H new ATOM 0 HG1 THR A 116 -4.532 -9.517 1.619 1.00 15.25 H new ATOM 0 HG21 THR A 116 -6.451 -9.117 2.781 1.00 4.35 H new ATOM 0 HG22 THR A 116 -6.427 -9.750 4.444 1.00 4.35 H new ATOM 0 HG23 THR A 116 -5.088 -8.735 3.859 1.00 4.35 H new ATOM 1811 N GLU A 117 -2.906 -13.310 4.625 1.00 3.51 N ATOM 1812 CA GLU A 117 -2.545 -14.704 4.505 1.00 30.11 C ATOM 1813 C GLU A 117 -3.087 -15.485 5.694 1.00 34.20 C ATOM 1814 O GLU A 117 -4.107 -16.180 5.533 1.00 0.00 O ATOM 1815 CB GLU A 117 -1.028 -14.845 4.428 1.00 1.32 C ATOM 1816 CG GLU A 117 -0.549 -16.222 4.003 1.00 60.33 C ATOM 1817 CD GLU A 117 0.955 -16.297 3.927 1.00 41.24 C ATOM 1818 OE1 GLU A 117 1.574 -15.342 3.418 1.00 0.05 O ATOM 1819 OE2 GLU A 117 1.535 -17.296 4.398 1.00 3.21 O ATOM 1820 OXT GLU A 117 -2.509 -15.377 6.793 1.00 0.00 O ATOM 0 H GLU A 117 -2.303 -12.775 5.250 1.00 3.51 H new ATOM 0 HA GLU A 117 -2.981 -15.107 3.591 1.00 30.11 H new ATOM 0 HB2 GLU A 117 -0.641 -14.106 3.726 1.00 1.32 H new ATOM 0 HB3 GLU A 117 -0.603 -14.611 5.404 1.00 1.32 H new ATOM 0 HG2 GLU A 117 -0.914 -16.967 4.710 1.00 60.33 H new ATOM 0 HG3 GLU A 117 -0.974 -16.470 3.030 1.00 60.33 H new