USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=29 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 106 THR OG1 : rot 141:sc= 1.03 USER MOD Set 1.2: A 111 HIS :FLIP no HD1:sc= -2.88! C(o=-7.1!,f=-1.9!) USER MOD Set 2.1: A 13 HIS : no HE2:sc= 0.0799 K(o=1.3,f=-10!) USER MOD Set 2.2: A 69 SER OG : rot 125:sc= 1.19 USER MOD Set 3.1: A 18 HIS : no HD1:sc= -4.03! C(o=-3.7!,f=-7.2!) USER MOD Set 3.2: A 21 SER OG : rot 73:sc= 0.328 USER MOD Set 4.1: A 11 CYS SG : rot -47:sc= -1.93! USER MOD Set 4.2: A 92 SER OG : rot 64:sc= 1.17 USER MOD Single : A 12 SER OG : rot 180:sc= -1.04 USER MOD Single : A 17 LYS NZ :NH3+ -117:sc= 0.695 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -1.47! C(o=-1.5!,f=-6.3!) USER MOD Single : A 25 SER OG : rot -75:sc= 1.14 USER MOD Single : A 26 SER OG : rot -160:sc= 1.21 USER MOD Single : A 29 GLN : amide:sc= 0.992 K(o=0.99,f=-6!) USER MOD Single : A 31 LYS NZ :NH3+ 167:sc=-0.00431 (180deg=-0.177) USER MOD Single : A 33 THR OG1 : rot -40:sc= -0.388 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0757 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 46 TYR OH : rot -116:sc= 0.0557 USER MOD Single : A 48 GLN : amide:sc= 0.273 X(o=0.27,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -89:sc= 1.23 USER MOD Single : A 59 SER OG : rot 180:sc=-0.00991 USER MOD Single : A 62 SER OG : rot -34:sc= 1.23 USER MOD Single : A 63 GLN : amide:sc= -0.32! X(o=-0.32!,f=-0.22) USER MOD Single : A 65 SER OG : rot -162:sc= 0.875 USER MOD Single : A 68 SER OG : rot 180:sc= 0.019 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= -0.0258 USER MOD Single : A 83 GLN :FLIP amide:sc= -0.0217 F(o=-2.5!,f=-0.022) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0.0474 K(o=0.047,f=-5!) USER MOD Single : A 86 LYS NZ :NH3+ -139:sc= -0.177 (180deg=-0.7) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.236 USER MOD Single : A 100 MET CE :methyl -139:sc= -0.776 (180deg=-1.1) USER MOD Single : A 101 SER OG : rot 160:sc= -0.996 USER MOD Single : A 108 SER OG : rot 4:sc= 1.19 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0.0372 USER MOD ----------------------------------------------------------------- ATOM 71 N PRO A 6 9.899 -16.883 5.720 1.00 14.15 N ATOM 72 CA PRO A 6 9.024 -16.428 4.649 1.00 21.01 C ATOM 73 C PRO A 6 9.788 -16.248 3.340 1.00 55.31 C ATOM 74 O PRO A 6 10.495 -15.259 3.150 1.00 61.44 O ATOM 75 CB PRO A 6 8.492 -15.074 5.155 1.00 32.53 C ATOM 76 CG PRO A 6 8.797 -15.058 6.612 1.00 12.02 C ATOM 77 CD PRO A 6 10.038 -15.873 6.774 1.00 14.31 C ATOM 0 HA PRO A 6 8.232 -17.145 4.433 1.00 21.01 H new ATOM 0 HB2 PRO A 6 8.976 -14.243 4.642 1.00 32.53 H new ATOM 0 HB3 PRO A 6 7.421 -14.979 4.975 1.00 32.53 H new ATOM 0 HG2 PRO A 6 8.948 -14.039 6.969 1.00 12.02 H new ATOM 0 HG3 PRO A 6 7.974 -15.479 7.189 1.00 12.02 H new ATOM 0 HD2 PRO A 6 10.938 -15.272 6.643 1.00 14.31 H new ATOM 0 HD3 PRO A 6 10.099 -16.326 7.764 1.00 14.31 H new ATOM 85 N ALA A 7 9.670 -17.229 2.463 1.00 33.01 N ATOM 86 CA ALA A 7 10.332 -17.185 1.174 1.00 13.13 C ATOM 87 C ALA A 7 9.541 -16.330 0.201 1.00 42.13 C ATOM 88 O ALA A 7 10.093 -15.458 -0.472 1.00 31.14 O ATOM 89 CB ALA A 7 10.511 -18.592 0.628 1.00 44.32 C ATOM 0 H ALA A 7 9.117 -18.071 2.623 1.00 33.01 H new ATOM 0 HA ALA A 7 11.317 -16.735 1.301 1.00 13.13 H new ATOM 0 HB1 ALA A 7 11.009 -18.546 -0.340 1.00 44.32 H new ATOM 0 HB2 ALA A 7 11.117 -19.177 1.320 1.00 44.32 H new ATOM 0 HB3 ALA A 7 9.535 -19.064 0.512 1.00 44.32 H new ATOM 95 N ARG A 8 8.244 -16.585 0.134 1.00 12.12 N ATOM 96 CA ARG A 8 7.352 -15.830 -0.726 1.00 52.15 C ATOM 97 C ARG A 8 6.089 -15.465 0.031 1.00 34.52 C ATOM 98 O ARG A 8 5.273 -16.332 0.340 1.00 33.23 O ATOM 99 CB ARG A 8 6.997 -16.634 -1.985 1.00 1.02 C ATOM 100 CG ARG A 8 8.185 -16.920 -2.887 1.00 33.34 C ATOM 101 CD ARG A 8 7.774 -17.684 -4.133 1.00 40.52 C ATOM 102 NE ARG A 8 6.809 -16.938 -4.946 1.00 12.04 N ATOM 103 CZ ARG A 8 6.769 -16.958 -6.280 1.00 21.22 C ATOM 104 NH1 ARG A 8 7.657 -17.662 -6.969 1.00 32.03 N ATOM 105 NH2 ARG A 8 5.834 -16.267 -6.924 1.00 11.22 N ATOM 0 H ARG A 8 7.783 -17.318 0.673 1.00 12.12 H new ATOM 0 HA ARG A 8 7.862 -14.917 -1.035 1.00 52.15 H new ATOM 0 HB2 ARG A 8 6.545 -17.579 -1.685 1.00 1.02 H new ATOM 0 HB3 ARG A 8 6.245 -16.087 -2.554 1.00 1.02 H new ATOM 0 HG2 ARG A 8 8.657 -15.981 -3.175 1.00 33.34 H new ATOM 0 HG3 ARG A 8 8.929 -17.495 -2.337 1.00 33.34 H new ATOM 0 HD2 ARG A 8 8.658 -17.903 -4.731 1.00 40.52 H new ATOM 0 HD3 ARG A 8 7.340 -18.641 -3.844 1.00 40.52 H new ATOM 0 HE ARG A 8 6.121 -16.364 -4.459 1.00 12.04 H new ATOM 0 HH11 ARG A 8 8.377 -18.193 -6.480 1.00 32.03 H new ATOM 0 HH12 ARG A 8 7.620 -17.672 -7.988 1.00 32.03 H new ATOM 0 HH21 ARG A 8 5.149 -15.723 -6.399 1.00 11.22 H new ATOM 0 HH22 ARG A 8 5.801 -16.281 -7.943 1.00 11.22 H new ATOM 119 N VAL A 9 5.930 -14.196 0.339 1.00 62.14 N ATOM 120 CA VAL A 9 4.766 -13.747 1.085 1.00 0.32 C ATOM 121 C VAL A 9 3.765 -13.071 0.178 1.00 4.14 C ATOM 122 O VAL A 9 4.127 -12.521 -0.867 1.00 64.51 O ATOM 123 CB VAL A 9 5.139 -12.784 2.236 1.00 20.32 C ATOM 124 CG1 VAL A 9 6.072 -13.465 3.214 1.00 31.11 C ATOM 125 CG2 VAL A 9 5.758 -11.500 1.697 1.00 61.14 C ATOM 0 H VAL A 9 6.587 -13.457 0.088 1.00 62.14 H new ATOM 0 HA VAL A 9 4.320 -14.642 1.519 1.00 0.32 H new ATOM 0 HB VAL A 9 4.225 -12.515 2.765 1.00 20.32 H new ATOM 0 HG11 VAL A 9 6.325 -12.773 4.018 1.00 31.11 H new ATOM 0 HG12 VAL A 9 5.582 -14.344 3.632 1.00 31.11 H new ATOM 0 HG13 VAL A 9 6.982 -13.769 2.697 1.00 31.11 H new ATOM 0 HG21 VAL A 9 6.011 -10.841 2.528 1.00 61.14 H new ATOM 0 HG22 VAL A 9 6.661 -11.739 1.136 1.00 61.14 H new ATOM 0 HG23 VAL A 9 5.045 -11.000 1.041 1.00 61.14 H new ATOM 135 N ARG A 10 2.511 -13.123 0.567 1.00 71.33 N ATOM 136 CA ARG A 10 1.461 -12.494 -0.189 1.00 73.32 C ATOM 137 C ARG A 10 0.951 -11.274 0.549 1.00 44.13 C ATOM 138 O ARG A 10 0.269 -11.391 1.574 1.00 55.34 O ATOM 139 CB ARG A 10 0.323 -13.472 -0.435 1.00 13.43 C ATOM 140 CG ARG A 10 -0.796 -12.892 -1.265 1.00 32.12 C ATOM 141 CD ARG A 10 -1.845 -13.926 -1.582 1.00 75.13 C ATOM 142 NE ARG A 10 -2.837 -13.414 -2.516 1.00 1.04 N ATOM 143 CZ ARG A 10 -3.651 -14.174 -3.235 1.00 22.12 C ATOM 144 NH1 ARG A 10 -3.568 -15.499 -3.161 1.00 23.11 N ATOM 145 NH2 ARG A 10 -4.530 -13.611 -4.044 1.00 15.22 N ATOM 0 H ARG A 10 2.195 -13.600 1.411 1.00 71.33 H new ATOM 0 HA ARG A 10 1.863 -12.183 -1.153 1.00 73.32 H new ATOM 0 HB2 ARG A 10 0.716 -14.357 -0.936 1.00 13.43 H new ATOM 0 HB3 ARG A 10 -0.078 -13.800 0.524 1.00 13.43 H new ATOM 0 HG2 ARG A 10 -1.254 -12.061 -0.729 1.00 32.12 H new ATOM 0 HG3 ARG A 10 -0.390 -12.488 -2.193 1.00 32.12 H new ATOM 0 HD2 ARG A 10 -1.369 -14.811 -2.005 1.00 75.13 H new ATOM 0 HD3 ARG A 10 -2.338 -14.239 -0.662 1.00 75.13 H new ATOM 0 HE ARG A 10 -2.911 -12.402 -2.625 1.00 1.04 H new ATOM 0 HH11 ARG A 10 -2.877 -15.933 -2.550 1.00 23.11 H new ATOM 0 HH12 ARG A 10 -4.196 -16.081 -3.715 1.00 23.11 H new ATOM 0 HH21 ARG A 10 -4.581 -12.595 -4.114 1.00 15.22 H new ATOM 0 HH22 ARG A 10 -5.158 -14.192 -4.599 1.00 15.22 H new ATOM 159 N CYS A 11 1.291 -10.112 0.048 1.00 63.21 N ATOM 160 CA CYS A 11 0.878 -8.885 0.669 1.00 34.55 C ATOM 161 C CYS A 11 0.208 -7.963 -0.331 1.00 2.43 C ATOM 162 O CYS A 11 0.670 -7.809 -1.458 1.00 35.32 O ATOM 163 CB CYS A 11 2.077 -8.190 1.321 1.00 75.14 C ATOM 164 SG CYS A 11 3.475 -7.919 0.207 1.00 51.14 S ATOM 0 H CYS A 11 1.856 -9.994 -0.793 1.00 63.21 H new ATOM 0 HA CYS A 11 0.148 -9.126 1.442 1.00 34.55 H new ATOM 0 HB2 CYS A 11 1.753 -7.228 1.719 1.00 75.14 H new ATOM 0 HB3 CYS A 11 2.413 -8.788 2.168 1.00 75.14 H new ATOM 0 HG CYS A 11 3.721 -9.011 -0.454 1.00 51.14 H new ATOM 170 N SER A 12 -0.879 -7.366 0.082 1.00 14.34 N ATOM 171 CA SER A 12 -1.589 -6.426 -0.739 1.00 25.21 C ATOM 172 C SER A 12 -1.106 -5.031 -0.384 1.00 50.20 C ATOM 173 O SER A 12 -0.687 -4.791 0.757 1.00 10.11 O ATOM 174 CB SER A 12 -3.091 -6.560 -0.495 1.00 62.03 C ATOM 175 OG SER A 12 -3.506 -7.908 -0.664 1.00 21.42 O ATOM 0 H SER A 12 -1.296 -7.520 1.000 1.00 14.34 H new ATOM 0 HA SER A 12 -1.402 -6.619 -1.795 1.00 25.21 H new ATOM 0 HB2 SER A 12 -3.333 -6.223 0.513 1.00 62.03 H new ATOM 0 HB3 SER A 12 -3.636 -5.917 -1.186 1.00 62.03 H new ATOM 0 HG SER A 12 -4.470 -7.976 -0.503 1.00 21.42 H new ATOM 181 N HIS A 13 -1.148 -4.112 -1.327 1.00 71.44 N ATOM 182 CA HIS A 13 -0.615 -2.790 -1.062 1.00 45.25 C ATOM 183 C HIS A 13 -1.518 -1.669 -1.536 1.00 12.21 C ATOM 184 O HIS A 13 -2.109 -1.729 -2.613 1.00 43.22 O ATOM 185 CB HIS A 13 0.820 -2.626 -1.625 1.00 74.10 C ATOM 186 CG HIS A 13 0.967 -2.753 -3.128 1.00 11.42 C ATOM 187 ND1 HIS A 13 2.113 -2.380 -3.800 1.00 71.13 N ATOM 188 CD2 HIS A 13 0.124 -3.225 -4.079 1.00 74.50 C ATOM 189 CE1 HIS A 13 1.966 -2.615 -5.086 1.00 12.11 C ATOM 190 NE2 HIS A 13 0.773 -3.127 -5.284 1.00 4.51 N ATOM 0 H HIS A 13 -1.535 -4.249 -2.261 1.00 71.44 H new ATOM 0 HA HIS A 13 -0.567 -2.706 0.024 1.00 45.25 H new ATOM 0 HB2 HIS A 13 1.196 -1.648 -1.325 1.00 74.10 H new ATOM 0 HB3 HIS A 13 1.460 -3.372 -1.154 1.00 74.10 H new ATOM 0 HD1 HIS A 13 2.946 -1.983 -3.366 1.00 71.13 H new ATOM 0 HD2 HIS A 13 -0.873 -3.607 -3.918 1.00 74.50 H new ATOM 0 HE1 HIS A 13 2.703 -2.420 -5.851 1.00 12.11 H new ATOM 199 N LEU A 14 -1.626 -0.664 -0.699 1.00 2.10 N ATOM 200 CA LEU A 14 -2.379 0.531 -0.996 1.00 71.31 C ATOM 201 C LEU A 14 -1.378 1.663 -1.184 1.00 70.04 C ATOM 202 O LEU A 14 -0.285 1.608 -0.625 1.00 14.34 O ATOM 203 CB LEU A 14 -3.352 0.826 0.170 1.00 71.52 C ATOM 204 CG LEU A 14 -4.438 1.884 -0.074 1.00 63.32 C ATOM 205 CD1 LEU A 14 -5.645 1.611 0.808 1.00 4.31 C ATOM 206 CD2 LEU A 14 -3.907 3.285 0.201 1.00 25.41 C ATOM 0 H LEU A 14 -1.186 -0.654 0.221 1.00 2.10 H new ATOM 0 HA LEU A 14 -2.975 0.416 -1.901 1.00 71.31 H new ATOM 0 HB2 LEU A 14 -3.845 -0.107 0.443 1.00 71.52 H new ATOM 0 HB3 LEU A 14 -2.762 1.139 1.031 1.00 71.52 H new ATOM 0 HG LEU A 14 -4.736 1.826 -1.121 1.00 63.32 H new ATOM 0 HD11 LEU A 14 -6.408 2.368 0.626 1.00 4.31 H new ATOM 0 HD12 LEU A 14 -6.049 0.626 0.577 1.00 4.31 H new ATOM 0 HD13 LEU A 14 -5.345 1.643 1.855 1.00 4.31 H new ATOM 0 HD21 LEU A 14 -4.696 4.015 0.021 1.00 25.41 H new ATOM 0 HD22 LEU A 14 -3.580 3.353 1.239 1.00 25.41 H new ATOM 0 HD23 LEU A 14 -3.064 3.491 -0.459 1.00 25.41 H new ATOM 218 N LEU A 15 -1.721 2.660 -1.971 1.00 34.51 N ATOM 219 CA LEU A 15 -0.807 3.760 -2.228 1.00 40.12 C ATOM 220 C LEU A 15 -1.541 5.072 -2.315 1.00 43.03 C ATOM 221 O LEU A 15 -2.600 5.158 -2.916 1.00 2.43 O ATOM 222 CB LEU A 15 -0.038 3.523 -3.532 1.00 50.02 C ATOM 223 CG LEU A 15 0.836 4.685 -4.024 1.00 2.44 C ATOM 224 CD1 LEU A 15 1.962 4.970 -3.050 1.00 61.23 C ATOM 225 CD2 LEU A 15 1.387 4.388 -5.409 1.00 22.31 C ATOM 0 H LEU A 15 -2.622 2.735 -2.444 1.00 34.51 H new ATOM 0 HA LEU A 15 -0.107 3.806 -1.394 1.00 40.12 H new ATOM 0 HB2 LEU A 15 0.598 2.648 -3.400 1.00 50.02 H new ATOM 0 HB3 LEU A 15 -0.757 3.280 -4.314 1.00 50.02 H new ATOM 0 HG LEU A 15 0.211 5.576 -4.084 1.00 2.44 H new ATOM 0 HD11 LEU A 15 2.565 5.797 -3.423 1.00 61.23 H new ATOM 0 HD12 LEU A 15 1.544 5.235 -2.079 1.00 61.23 H new ATOM 0 HD13 LEU A 15 2.587 4.083 -2.947 1.00 61.23 H new ATOM 0 HD21 LEU A 15 2.004 5.223 -5.742 1.00 22.31 H new ATOM 0 HD22 LEU A 15 1.991 3.481 -5.374 1.00 22.31 H new ATOM 0 HD23 LEU A 15 0.561 4.247 -6.106 1.00 22.31 H new ATOM 237 N VAL A 16 -0.983 6.080 -1.698 1.00 73.10 N ATOM 238 CA VAL A 16 -1.512 7.415 -1.801 1.00 45.12 C ATOM 239 C VAL A 16 -0.445 8.323 -2.380 1.00 15.24 C ATOM 240 O VAL A 16 0.582 8.594 -1.734 1.00 62.15 O ATOM 241 CB VAL A 16 -1.987 7.969 -0.441 1.00 65.31 C ATOM 242 CG1 VAL A 16 -2.542 9.378 -0.602 1.00 12.03 C ATOM 243 CG2 VAL A 16 -3.037 7.060 0.167 1.00 54.51 C ATOM 0 H VAL A 16 -0.152 6.000 -1.112 1.00 73.10 H new ATOM 0 HA VAL A 16 -2.385 7.380 -2.453 1.00 45.12 H new ATOM 0 HB VAL A 16 -1.129 8.007 0.230 1.00 65.31 H new ATOM 0 HG11 VAL A 16 -2.872 9.752 0.367 1.00 12.03 H new ATOM 0 HG12 VAL A 16 -1.765 10.032 -0.998 1.00 12.03 H new ATOM 0 HG13 VAL A 16 -3.387 9.360 -1.291 1.00 12.03 H new ATOM 0 HG21 VAL A 16 -3.360 7.467 1.125 1.00 54.51 H new ATOM 0 HG22 VAL A 16 -3.893 6.992 -0.505 1.00 54.51 H new ATOM 0 HG23 VAL A 16 -2.615 6.067 0.318 1.00 54.51 H new ATOM 253 N LYS A 17 -0.666 8.766 -3.599 1.00 13.03 N ATOM 254 CA LYS A 17 0.276 9.621 -4.280 1.00 1.24 C ATOM 255 C LYS A 17 0.074 11.061 -3.860 1.00 22.23 C ATOM 256 O LYS A 17 -0.938 11.407 -3.235 1.00 31.53 O ATOM 257 CB LYS A 17 0.152 9.474 -5.799 1.00 13.01 C ATOM 258 CG LYS A 17 0.567 8.108 -6.323 1.00 35.25 C ATOM 259 CD LYS A 17 0.359 7.999 -7.826 1.00 45.33 C ATOM 260 CE LYS A 17 0.767 6.627 -8.347 1.00 33.23 C ATOM 261 NZ LYS A 17 0.549 6.495 -9.810 1.00 42.52 N ATOM 0 H LYS A 17 -1.500 8.544 -4.142 1.00 13.03 H new ATOM 0 HA LYS A 17 1.284 9.316 -3.998 1.00 1.24 H new ATOM 0 HB2 LYS A 17 -0.881 9.665 -6.089 1.00 13.01 H new ATOM 0 HB3 LYS A 17 0.764 10.237 -6.279 1.00 13.01 H new ATOM 0 HG2 LYS A 17 1.616 7.930 -6.086 1.00 35.25 H new ATOM 0 HG3 LYS A 17 -0.010 7.333 -5.818 1.00 35.25 H new ATOM 0 HD2 LYS A 17 -0.689 8.183 -8.064 1.00 45.33 H new ATOM 0 HD3 LYS A 17 0.941 8.769 -8.332 1.00 45.33 H new ATOM 0 HE2 LYS A 17 1.819 6.452 -8.121 1.00 33.23 H new ATOM 0 HE3 LYS A 17 0.197 5.858 -7.826 1.00 33.23 H new ATOM 0 HZ1 LYS A 17 -0.155 5.751 -9.990 1.00 42.52 H new ATOM 0 HZ2 LYS A 17 0.204 7.398 -10.192 1.00 42.52 H new ATOM 0 HZ3 LYS A 17 1.445 6.243 -10.273 1.00 42.52 H new ATOM 275 N HIS A 18 1.028 11.898 -4.194 1.00 74.22 N ATOM 276 CA HIS A 18 0.993 13.290 -3.795 1.00 35.45 C ATOM 277 C HIS A 18 1.792 14.159 -4.751 1.00 33.21 C ATOM 278 O HIS A 18 2.550 13.650 -5.572 1.00 12.11 O ATOM 279 CB HIS A 18 1.503 13.456 -2.348 1.00 22.05 C ATOM 280 CG HIS A 18 2.573 12.476 -1.936 1.00 73.31 C ATOM 281 ND1 HIS A 18 3.851 12.487 -2.440 1.00 41.00 N ATOM 282 CD2 HIS A 18 2.537 11.449 -1.051 1.00 33.12 C ATOM 283 CE1 HIS A 18 4.550 11.520 -1.887 1.00 13.10 C ATOM 284 NE2 HIS A 18 3.780 10.876 -1.041 1.00 12.34 N ATOM 0 H HIS A 18 1.846 11.638 -4.746 1.00 74.22 H new ATOM 0 HA HIS A 18 -0.045 13.622 -3.834 1.00 35.45 H new ATOM 0 HB2 HIS A 18 1.892 14.467 -2.229 1.00 22.05 H new ATOM 0 HB3 HIS A 18 0.658 13.357 -1.667 1.00 22.05 H new ATOM 0 HD2 HIS A 18 1.685 11.140 -0.463 1.00 33.12 H new ATOM 0 HE1 HIS A 18 5.585 11.293 -2.094 1.00 13.10 H new ATOM 0 HE2 HIS A 18 4.062 10.079 -0.470 1.00 12.34 H new ATOM 293 N SER A 19 1.614 15.474 -4.629 1.00 32.01 N ATOM 294 CA SER A 19 2.292 16.449 -5.482 1.00 3.11 C ATOM 295 C SER A 19 3.814 16.301 -5.378 1.00 41.34 C ATOM 296 O SER A 19 4.541 16.487 -6.358 1.00 74.52 O ATOM 297 CB SER A 19 1.859 17.875 -5.091 1.00 71.14 C ATOM 298 OG SER A 19 2.311 18.838 -6.032 1.00 55.13 O ATOM 0 H SER A 19 0.995 15.894 -3.935 1.00 32.01 H new ATOM 0 HA SER A 19 2.008 16.263 -6.518 1.00 3.11 H new ATOM 0 HB2 SER A 19 0.772 17.918 -5.019 1.00 71.14 H new ATOM 0 HB3 SER A 19 2.253 18.117 -4.104 1.00 71.14 H new ATOM 0 HG SER A 19 2.017 19.730 -5.753 1.00 55.13 H new ATOM 304 N GLN A 20 4.290 15.955 -4.189 1.00 3.10 N ATOM 305 CA GLN A 20 5.713 15.755 -3.972 1.00 54.21 C ATOM 306 C GLN A 20 6.126 14.339 -4.367 1.00 63.15 C ATOM 307 O GLN A 20 6.309 13.476 -3.510 1.00 25.13 O ATOM 308 CB GLN A 20 6.084 16.030 -2.513 1.00 35.04 C ATOM 309 CG GLN A 20 5.876 17.474 -2.076 1.00 42.14 C ATOM 310 CD GLN A 20 6.827 18.446 -2.756 1.00 13.43 C ATOM 311 OE1 GLN A 20 7.244 18.242 -3.897 1.00 11.12 O ATOM 312 NE2 GLN A 20 7.187 19.496 -2.056 1.00 24.41 N ATOM 0 H GLN A 20 3.711 15.808 -3.362 1.00 3.10 H new ATOM 0 HA GLN A 20 6.253 16.461 -4.603 1.00 54.21 H new ATOM 0 HB2 GLN A 20 5.491 15.379 -1.870 1.00 35.04 H new ATOM 0 HB3 GLN A 20 7.130 15.763 -2.359 1.00 35.04 H new ATOM 0 HG2 GLN A 20 4.849 17.768 -2.292 1.00 42.14 H new ATOM 0 HG3 GLN A 20 6.007 17.543 -0.996 1.00 42.14 H new ATOM 0 HE21 GLN A 20 6.820 19.631 -1.114 1.00 24.41 H new ATOM 0 HE22 GLN A 20 7.833 20.177 -2.454 1.00 24.41 H new ATOM 321 N SER A 21 6.215 14.107 -5.665 1.00 75.34 N ATOM 322 CA SER A 21 6.612 12.819 -6.219 1.00 42.30 C ATOM 323 C SER A 21 7.164 13.021 -7.624 1.00 32.05 C ATOM 324 O SER A 21 7.105 14.133 -8.162 1.00 1.30 O ATOM 325 CB SER A 21 5.417 11.849 -6.260 1.00 3.22 C ATOM 326 OG SER A 21 4.987 11.500 -4.955 1.00 70.35 O ATOM 0 H SER A 21 6.012 14.813 -6.373 1.00 75.34 H new ATOM 0 HA SER A 21 7.382 12.385 -5.581 1.00 42.30 H new ATOM 0 HB2 SER A 21 4.593 12.308 -6.805 1.00 3.22 H new ATOM 0 HB3 SER A 21 5.697 10.948 -6.805 1.00 3.22 H new ATOM 0 HG SER A 21 4.520 12.261 -4.550 1.00 70.35 H new ATOM 332 N ARG A 22 7.692 11.959 -8.222 1.00 32.43 N ATOM 333 CA ARG A 22 8.237 12.044 -9.575 1.00 54.13 C ATOM 334 C ARG A 22 7.130 12.222 -10.616 1.00 60.10 C ATOM 335 O ARG A 22 7.396 12.598 -11.757 1.00 1.35 O ATOM 336 CB ARG A 22 9.111 10.826 -9.905 1.00 23.21 C ATOM 337 CG ARG A 22 8.448 9.481 -9.671 1.00 31.30 C ATOM 338 CD ARG A 22 9.365 8.347 -10.098 1.00 20.12 C ATOM 339 NE ARG A 22 8.832 7.036 -9.738 1.00 44.00 N ATOM 340 CZ ARG A 22 8.567 6.056 -10.603 1.00 31.21 C ATOM 341 NH1 ARG A 22 8.712 6.252 -11.910 1.00 55.25 N ATOM 342 NH2 ARG A 22 8.143 4.883 -10.151 1.00 43.42 N ATOM 0 H ARG A 22 7.755 11.034 -7.796 1.00 32.43 H new ATOM 0 HA ARG A 22 8.872 12.929 -9.612 1.00 54.13 H new ATOM 0 HB2 ARG A 22 9.415 10.888 -10.950 1.00 23.21 H new ATOM 0 HB3 ARG A 22 10.020 10.876 -9.305 1.00 23.21 H new ATOM 0 HG2 ARG A 22 8.196 9.373 -8.616 1.00 31.30 H new ATOM 0 HG3 ARG A 22 7.513 9.429 -10.229 1.00 31.30 H new ATOM 0 HD2 ARG A 22 9.516 8.391 -11.177 1.00 20.12 H new ATOM 0 HD3 ARG A 22 10.342 8.479 -9.634 1.00 20.12 H new ATOM 0 HE ARG A 22 8.649 6.856 -8.751 1.00 44.00 H new ATOM 0 HH11 ARG A 22 9.028 7.157 -12.258 1.00 55.25 H new ATOM 0 HH12 ARG A 22 8.507 5.497 -12.565 1.00 55.25 H new ATOM 0 HH21 ARG A 22 8.022 4.736 -9.149 1.00 43.42 H new ATOM 0 HH22 ARG A 22 7.938 4.128 -10.806 1.00 43.42 H new ATOM 356 N ARG A 23 5.896 11.947 -10.214 1.00 25.42 N ATOM 357 CA ARG A 23 4.743 12.134 -11.080 1.00 71.14 C ATOM 358 C ARG A 23 3.454 12.146 -10.260 1.00 44.33 C ATOM 359 O ARG A 23 3.027 11.110 -9.748 1.00 1.31 O ATOM 360 CB ARG A 23 4.665 11.039 -12.153 1.00 22.04 C ATOM 361 CG ARG A 23 3.507 11.224 -13.125 1.00 73.52 C ATOM 362 CD ARG A 23 3.678 12.491 -13.949 1.00 23.31 C ATOM 363 NE ARG A 23 2.460 12.854 -14.672 1.00 63.11 N ATOM 364 CZ ARG A 23 2.430 13.669 -15.726 1.00 71.12 C ATOM 365 NH1 ARG A 23 3.558 14.191 -16.194 1.00 30.32 N ATOM 366 NH2 ARG A 23 1.274 13.963 -16.309 1.00 44.40 N ATOM 0 H ARG A 23 5.669 11.591 -9.286 1.00 25.42 H new ATOM 0 HA ARG A 23 4.860 13.096 -11.580 1.00 71.14 H new ATOM 0 HB2 ARG A 23 5.600 11.022 -12.713 1.00 22.04 H new ATOM 0 HB3 ARG A 23 4.568 10.069 -11.665 1.00 22.04 H new ATOM 0 HG2 ARG A 23 3.444 10.361 -13.788 1.00 73.52 H new ATOM 0 HG3 ARG A 23 2.569 11.270 -12.572 1.00 73.52 H new ATOM 0 HD2 ARG A 23 3.966 13.312 -13.292 1.00 23.31 H new ATOM 0 HD3 ARG A 23 4.492 12.351 -14.661 1.00 23.31 H new ATOM 0 HE ARG A 23 1.577 12.458 -14.349 1.00 63.11 H new ATOM 0 HH11 ARG A 23 4.447 13.968 -15.747 1.00 30.32 H new ATOM 0 HH12 ARG A 23 3.535 14.815 -17.001 1.00 30.32 H new ATOM 0 HH21 ARG A 23 0.406 13.565 -15.950 1.00 44.40 H new ATOM 0 HH22 ARG A 23 1.254 14.587 -17.116 1.00 44.40 H new ATOM 380 N PRO A 24 2.829 13.315 -10.107 1.00 70.22 N ATOM 381 CA PRO A 24 1.581 13.444 -9.374 1.00 11.34 C ATOM 382 C PRO A 24 0.371 13.122 -10.256 1.00 70.33 C ATOM 383 O PRO A 24 -0.408 14.008 -10.619 1.00 3.30 O ATOM 384 CB PRO A 24 1.579 14.911 -8.959 1.00 64.43 C ATOM 385 CG PRO A 24 2.326 15.616 -10.044 1.00 40.12 C ATOM 386 CD PRO A 24 3.295 14.614 -10.632 1.00 31.31 C ATOM 0 HA PRO A 24 1.511 12.754 -8.533 1.00 11.34 H new ATOM 0 HB2 PRO A 24 0.563 15.294 -8.865 1.00 64.43 H new ATOM 0 HB3 PRO A 24 2.062 15.049 -7.992 1.00 64.43 H new ATOM 0 HG2 PRO A 24 1.641 15.985 -10.808 1.00 40.12 H new ATOM 0 HG3 PRO A 24 2.858 16.481 -9.648 1.00 40.12 H new ATOM 0 HD2 PRO A 24 3.277 14.634 -11.722 1.00 31.31 H new ATOM 0 HD3 PRO A 24 4.320 14.823 -10.326 1.00 31.31 H new ATOM 394 N SER A 25 0.236 11.856 -10.608 1.00 61.44 N ATOM 395 CA SER A 25 -0.857 11.399 -11.448 1.00 32.41 C ATOM 396 C SER A 25 -1.286 9.997 -11.037 1.00 15.41 C ATOM 397 O SER A 25 -0.448 9.154 -10.711 1.00 51.54 O ATOM 398 CB SER A 25 -0.427 11.401 -12.918 1.00 60.40 C ATOM 399 OG SER A 25 0.041 12.683 -13.308 1.00 20.22 O ATOM 0 H SER A 25 0.879 11.118 -10.321 1.00 61.44 H new ATOM 0 HA SER A 25 -1.701 12.078 -11.323 1.00 32.41 H new ATOM 0 HB2 SER A 25 0.358 10.661 -13.072 1.00 60.40 H new ATOM 0 HB3 SER A 25 -1.268 11.110 -13.547 1.00 60.40 H new ATOM 0 HG SER A 25 -0.720 13.290 -13.416 1.00 20.22 H new ATOM 405 N SER A 26 -2.579 9.754 -11.038 1.00 21.43 N ATOM 406 CA SER A 26 -3.104 8.455 -10.681 1.00 24.54 C ATOM 407 C SER A 26 -4.125 8.011 -11.713 1.00 43.32 C ATOM 408 O SER A 26 -4.345 8.695 -12.721 1.00 34.13 O ATOM 409 CB SER A 26 -3.768 8.523 -9.305 1.00 31.32 C ATOM 410 OG SER A 26 -4.922 9.361 -9.339 1.00 53.34 O ATOM 0 H SER A 26 -3.289 10.444 -11.284 1.00 21.43 H new ATOM 0 HA SER A 26 -2.284 7.738 -10.651 1.00 24.54 H new ATOM 0 HB2 SER A 26 -4.050 7.521 -8.983 1.00 31.32 H new ATOM 0 HB3 SER A 26 -3.057 8.905 -8.572 1.00 31.32 H new ATOM 0 HG SER A 26 -5.144 9.649 -8.429 1.00 53.34 H new ATOM 415 N TRP A 27 -4.747 6.874 -11.471 1.00 63.32 N ATOM 416 CA TRP A 27 -5.804 6.396 -12.336 1.00 1.21 C ATOM 417 C TRP A 27 -7.144 6.950 -11.864 1.00 0.34 C ATOM 418 O TRP A 27 -8.199 6.653 -12.433 1.00 34.43 O ATOM 419 CB TRP A 27 -5.822 4.861 -12.397 1.00 31.25 C ATOM 420 CG TRP A 27 -5.802 4.186 -11.056 1.00 72.05 C ATOM 421 CD1 TRP A 27 -4.699 3.815 -10.344 1.00 31.15 C ATOM 422 CD2 TRP A 27 -6.934 3.787 -10.276 1.00 30.45 C ATOM 423 NE1 TRP A 27 -5.076 3.214 -9.173 1.00 65.22 N ATOM 424 CE2 TRP A 27 -6.442 3.184 -9.106 1.00 42.40 C ATOM 425 CE3 TRP A 27 -8.314 3.883 -10.452 1.00 12.21 C ATOM 426 CZ2 TRP A 27 -7.281 2.679 -8.119 1.00 32.25 C ATOM 427 CZ3 TRP A 27 -9.144 3.381 -9.471 1.00 43.22 C ATOM 428 CH2 TRP A 27 -8.625 2.787 -8.319 1.00 52.34 C ATOM 0 H TRP A 27 -4.537 6.264 -10.681 1.00 63.32 H new ATOM 0 HA TRP A 27 -5.617 6.753 -13.349 1.00 1.21 H new ATOM 0 HB2 TRP A 27 -6.713 4.542 -12.938 1.00 31.25 H new ATOM 0 HB3 TRP A 27 -4.961 4.522 -12.973 1.00 31.25 H new ATOM 0 HD1 TRP A 27 -3.678 3.972 -10.658 1.00 31.15 H new ATOM 0 HE1 TRP A 27 -4.440 2.848 -8.464 1.00 65.22 H new ATOM 0 HE3 TRP A 27 -8.725 4.342 -11.339 1.00 12.21 H new ATOM 0 HZ2 TRP A 27 -6.883 2.218 -7.227 1.00 32.25 H new ATOM 0 HZ3 TRP A 27 -10.215 3.449 -9.596 1.00 43.22 H new ATOM 0 HH2 TRP A 27 -9.303 2.405 -7.570 1.00 52.34 H new ATOM 439 N ARG A 28 -7.083 7.768 -10.819 1.00 53.11 N ATOM 440 CA ARG A 28 -8.257 8.412 -10.275 1.00 2.10 C ATOM 441 C ARG A 28 -8.269 9.874 -10.688 1.00 62.01 C ATOM 442 O ARG A 28 -9.238 10.362 -11.265 1.00 71.22 O ATOM 443 CB ARG A 28 -8.277 8.309 -8.744 1.00 20.13 C ATOM 444 CG ARG A 28 -8.236 6.887 -8.211 1.00 13.24 C ATOM 445 CD ARG A 28 -8.434 6.853 -6.702 1.00 23.20 C ATOM 446 NE ARG A 28 -7.378 7.571 -5.979 1.00 32.42 N ATOM 447 CZ ARG A 28 -7.556 8.203 -4.816 1.00 63.21 C ATOM 448 NH1 ARG A 28 -8.765 8.279 -4.267 1.00 71.40 N ATOM 449 NH2 ARG A 28 -6.524 8.766 -4.209 1.00 23.50 N ATOM 0 H ARG A 28 -6.217 7.998 -10.331 1.00 53.11 H new ATOM 0 HA ARG A 28 -9.142 7.909 -10.666 1.00 2.10 H new ATOM 0 HB2 ARG A 28 -7.425 8.859 -8.344 1.00 20.13 H new ATOM 0 HB3 ARG A 28 -9.177 8.798 -8.371 1.00 20.13 H new ATOM 0 HG2 ARG A 28 -9.012 6.293 -8.695 1.00 13.24 H new ATOM 0 HG3 ARG A 28 -7.280 6.429 -8.464 1.00 13.24 H new ATOM 0 HD2 ARG A 28 -9.401 7.292 -6.456 1.00 23.20 H new ATOM 0 HD3 ARG A 28 -8.460 5.816 -6.366 1.00 23.20 H new ATOM 0 HE ARG A 28 -6.446 7.589 -6.392 1.00 32.42 H new ATOM 0 HH11 ARG A 28 -9.565 7.853 -4.734 1.00 71.40 H new ATOM 0 HH12 ARG A 28 -8.892 8.764 -3.378 1.00 71.40 H new ATOM 0 HH21 ARG A 28 -5.596 8.717 -4.629 1.00 23.50 H new ATOM 0 HH22 ARG A 28 -6.656 9.249 -3.321 1.00 23.50 H new ATOM 463 N GLN A 29 -7.171 10.561 -10.414 1.00 4.54 N ATOM 464 CA GLN A 29 -7.040 11.971 -10.734 1.00 14.23 C ATOM 465 C GLN A 29 -5.898 12.198 -11.717 1.00 21.21 C ATOM 466 O GLN A 29 -4.833 11.585 -11.599 1.00 60.32 O ATOM 467 CB GLN A 29 -6.811 12.778 -9.455 1.00 72.33 C ATOM 468 CG GLN A 29 -8.018 12.804 -8.528 1.00 5.03 C ATOM 469 CD GLN A 29 -7.690 13.340 -7.150 1.00 73.42 C ATOM 470 OE1 GLN A 29 -7.354 12.579 -6.240 1.00 11.24 O ATOM 471 NE2 GLN A 29 -7.774 14.644 -6.987 1.00 52.54 N ATOM 0 H GLN A 29 -6.349 10.157 -9.965 1.00 4.54 H new ATOM 0 HA GLN A 29 -7.964 12.308 -11.204 1.00 14.23 H new ATOM 0 HB2 GLN A 29 -5.960 12.359 -8.918 1.00 72.33 H new ATOM 0 HB3 GLN A 29 -6.547 13.801 -9.723 1.00 72.33 H new ATOM 0 HG2 GLN A 29 -8.800 13.418 -8.975 1.00 5.03 H new ATOM 0 HG3 GLN A 29 -8.420 11.795 -8.434 1.00 5.03 H new ATOM 0 HE21 GLN A 29 -8.056 15.238 -7.767 1.00 52.54 H new ATOM 0 HE22 GLN A 29 -7.557 15.060 -6.081 1.00 52.54 H new ATOM 480 N GLU A 30 -6.137 13.061 -12.698 1.00 31.22 N ATOM 481 CA GLU A 30 -5.137 13.394 -13.710 1.00 23.30 C ATOM 482 C GLU A 30 -3.911 14.027 -13.064 1.00 35.32 C ATOM 483 O GLU A 30 -2.773 13.646 -13.348 1.00 71.50 O ATOM 484 CB GLU A 30 -5.738 14.352 -14.743 1.00 32.24 C ATOM 485 CG GLU A 30 -4.757 14.810 -15.808 1.00 5.11 C ATOM 486 CD GLU A 30 -5.379 15.773 -16.786 1.00 33.12 C ATOM 487 OE1 GLU A 30 -5.341 16.990 -16.534 1.00 24.15 O ATOM 488 OE2 GLU A 30 -5.916 15.316 -17.817 1.00 44.13 O ATOM 0 H GLU A 30 -7.025 13.549 -12.816 1.00 31.22 H new ATOM 0 HA GLU A 30 -4.830 12.475 -14.210 1.00 23.30 H new ATOM 0 HB2 GLU A 30 -6.582 13.863 -15.228 1.00 32.24 H new ATOM 0 HB3 GLU A 30 -6.131 15.227 -14.226 1.00 32.24 H new ATOM 0 HG2 GLU A 30 -3.901 15.285 -15.329 1.00 5.11 H new ATOM 0 HG3 GLU A 30 -4.379 13.942 -16.348 1.00 5.11 H new ATOM 495 N LYS A 31 -4.153 14.988 -12.202 1.00 33.45 N ATOM 496 CA LYS A 31 -3.094 15.657 -11.490 1.00 60.03 C ATOM 497 C LYS A 31 -3.389 15.662 -10.004 1.00 51.41 C ATOM 498 O LYS A 31 -4.550 15.703 -9.595 1.00 73.31 O ATOM 499 CB LYS A 31 -2.862 17.082 -12.041 1.00 71.40 C ATOM 500 CG LYS A 31 -4.134 17.892 -12.331 1.00 23.41 C ATOM 501 CD LYS A 31 -4.814 18.406 -11.064 1.00 24.11 C ATOM 502 CE LYS A 31 -3.943 19.410 -10.313 1.00 64.43 C ATOM 503 NZ LYS A 31 -3.644 20.618 -11.126 1.00 12.01 N ATOM 0 H LYS A 31 -5.089 15.326 -11.977 1.00 33.45 H new ATOM 0 HA LYS A 31 -2.165 15.108 -11.645 1.00 60.03 H new ATOM 0 HB2 LYS A 31 -2.255 17.636 -11.325 1.00 71.40 H new ATOM 0 HB3 LYS A 31 -2.282 17.007 -12.961 1.00 71.40 H new ATOM 0 HG2 LYS A 31 -3.882 18.738 -12.970 1.00 23.41 H new ATOM 0 HG3 LYS A 31 -4.836 17.270 -12.887 1.00 23.41 H new ATOM 0 HD2 LYS A 31 -5.763 18.874 -11.326 1.00 24.11 H new ATOM 0 HD3 LYS A 31 -5.044 17.565 -10.410 1.00 24.11 H new ATOM 0 HE2 LYS A 31 -4.447 19.709 -9.394 1.00 64.43 H new ATOM 0 HE3 LYS A 31 -3.008 18.930 -10.022 1.00 64.43 H new ATOM 0 HZ1 LYS A 31 -3.245 21.358 -10.514 1.00 12.01 H new ATOM 0 HZ2 LYS A 31 -2.958 20.375 -11.869 1.00 12.01 H new ATOM 0 HZ3 LYS A 31 -4.520 20.967 -11.565 1.00 12.01 H new ATOM 517 N ILE A 32 -2.354 15.598 -9.206 1.00 41.42 N ATOM 518 CA ILE A 32 -2.509 15.541 -7.770 1.00 34.33 C ATOM 519 C ILE A 32 -1.906 16.776 -7.104 1.00 10.24 C ATOM 520 O ILE A 32 -0.723 17.073 -7.277 1.00 53.24 O ATOM 521 CB ILE A 32 -1.862 14.256 -7.208 1.00 64.43 C ATOM 522 CG1 ILE A 32 -2.513 13.022 -7.849 1.00 41.54 C ATOM 523 CG2 ILE A 32 -1.997 14.205 -5.702 1.00 13.10 C ATOM 524 CD1 ILE A 32 -1.908 11.708 -7.414 1.00 10.42 C ATOM 0 H ILE A 32 -1.386 15.584 -9.527 1.00 41.42 H new ATOM 0 HA ILE A 32 -3.576 15.522 -7.546 1.00 34.33 H new ATOM 0 HB ILE A 32 -0.800 14.262 -7.452 1.00 64.43 H new ATOM 0 HG12 ILE A 32 -3.576 13.018 -7.606 1.00 41.54 H new ATOM 0 HG13 ILE A 32 -2.434 13.105 -8.933 1.00 41.54 H new ATOM 0 HG21 ILE A 32 -1.535 13.292 -5.326 1.00 13.10 H new ATOM 0 HG22 ILE A 32 -1.501 15.070 -5.263 1.00 13.10 H new ATOM 0 HG23 ILE A 32 -3.053 14.216 -5.431 1.00 13.10 H new ATOM 0 HD11 ILE A 32 -2.424 10.887 -7.912 1.00 10.42 H new ATOM 0 HD12 ILE A 32 -0.851 11.688 -7.681 1.00 10.42 H new ATOM 0 HD13 ILE A 32 -2.011 11.600 -6.334 1.00 10.42 H new ATOM 536 N THR A 33 -2.731 17.491 -6.352 1.00 52.01 N ATOM 537 CA THR A 33 -2.305 18.712 -5.690 1.00 53.12 C ATOM 538 C THR A 33 -1.928 18.459 -4.221 1.00 42.03 C ATOM 539 O THR A 33 -1.074 19.156 -3.665 1.00 34.04 O ATOM 540 CB THR A 33 -3.417 19.782 -5.757 1.00 62.23 C ATOM 541 OG1 THR A 33 -3.882 19.909 -7.109 1.00 24.11 O ATOM 542 CG2 THR A 33 -2.905 21.129 -5.278 1.00 3.33 C ATOM 0 H THR A 33 -3.706 17.242 -6.186 1.00 52.01 H new ATOM 0 HA THR A 33 -1.420 19.072 -6.216 1.00 53.12 H new ATOM 0 HB THR A 33 -4.234 19.467 -5.107 1.00 62.23 H new ATOM 0 HG1 THR A 33 -3.120 19.860 -7.723 1.00 24.11 H new ATOM 0 HG21 THR A 33 -3.707 21.865 -5.335 1.00 3.33 H new ATOM 0 HG22 THR A 33 -2.565 21.043 -4.246 1.00 3.33 H new ATOM 0 HG23 THR A 33 -2.075 21.448 -5.908 1.00 3.33 H new ATOM 550 N ARG A 34 -2.564 17.458 -3.602 1.00 30.45 N ATOM 551 CA ARG A 34 -2.304 17.132 -2.195 1.00 42.22 C ATOM 552 C ARG A 34 -0.816 16.872 -1.953 1.00 63.21 C ATOM 553 O ARG A 34 -0.174 16.120 -2.693 1.00 35.23 O ATOM 554 CB ARG A 34 -3.146 15.922 -1.742 1.00 44.42 C ATOM 555 CG ARG A 34 -2.883 14.650 -2.530 1.00 60.43 C ATOM 556 CD ARG A 34 -3.808 13.518 -2.113 1.00 3.33 C ATOM 557 NE ARG A 34 -3.670 12.348 -2.992 1.00 53.11 N ATOM 558 CZ ARG A 34 -4.514 12.052 -3.992 1.00 41.01 C ATOM 559 NH1 ARG A 34 -5.533 12.858 -4.263 1.00 64.11 N ATOM 560 NH2 ARG A 34 -4.336 10.955 -4.717 1.00 12.43 N ATOM 0 H ARG A 34 -3.259 16.862 -4.051 1.00 30.45 H new ATOM 0 HA ARG A 34 -2.598 17.995 -1.598 1.00 42.22 H new ATOM 0 HB2 ARG A 34 -2.948 15.730 -0.687 1.00 44.42 H new ATOM 0 HB3 ARG A 34 -4.202 16.177 -1.827 1.00 44.42 H new ATOM 0 HG2 ARG A 34 -3.012 14.850 -3.594 1.00 60.43 H new ATOM 0 HG3 ARG A 34 -1.847 14.343 -2.387 1.00 60.43 H new ATOM 0 HD2 ARG A 34 -3.588 13.229 -1.085 1.00 3.33 H new ATOM 0 HD3 ARG A 34 -4.841 13.867 -2.132 1.00 3.33 H new ATOM 0 HE ARG A 34 -2.882 11.721 -2.831 1.00 53.11 H new ATOM 0 HH11 ARG A 34 -5.675 13.704 -3.711 1.00 64.11 H new ATOM 0 HH12 ARG A 34 -6.174 12.632 -5.024 1.00 64.11 H new ATOM 0 HH21 ARG A 34 -3.554 10.332 -4.515 1.00 12.43 H new ATOM 0 HH22 ARG A 34 -4.981 10.735 -5.476 1.00 12.43 H new ATOM 574 N THR A 35 -0.271 17.513 -0.937 1.00 0.15 N ATOM 575 CA THR A 35 1.131 17.366 -0.602 1.00 53.22 C ATOM 576 C THR A 35 1.394 16.005 0.069 1.00 42.35 C ATOM 577 O THR A 35 0.469 15.207 0.270 1.00 61.12 O ATOM 578 CB THR A 35 1.620 18.529 0.309 1.00 4.21 C ATOM 579 OG1 THR A 35 3.023 18.415 0.551 1.00 45.02 O ATOM 580 CG2 THR A 35 0.877 18.539 1.636 1.00 64.40 C ATOM 0 H THR A 35 -0.785 18.146 -0.324 1.00 0.15 H new ATOM 0 HA THR A 35 1.699 17.407 -1.531 1.00 53.22 H new ATOM 0 HB THR A 35 1.415 19.465 -0.212 1.00 4.21 H new ATOM 0 HG1 THR A 35 3.317 19.154 1.124 1.00 45.02 H new ATOM 0 HG21 THR A 35 1.241 19.363 2.250 1.00 64.40 H new ATOM 0 HG22 THR A 35 -0.190 18.666 1.454 1.00 64.40 H new ATOM 0 HG23 THR A 35 1.047 17.596 2.156 1.00 64.40 H new ATOM 588 N LYS A 36 2.648 15.747 0.415 1.00 63.44 N ATOM 589 CA LYS A 36 3.031 14.478 1.014 1.00 1.41 C ATOM 590 C LYS A 36 2.449 14.353 2.417 1.00 23.13 C ATOM 591 O LYS A 36 2.079 13.264 2.850 1.00 61.43 O ATOM 592 CB LYS A 36 4.557 14.345 1.048 1.00 63.31 C ATOM 593 CG LYS A 36 5.052 12.961 1.443 1.00 34.32 C ATOM 594 CD LYS A 36 6.574 12.904 1.503 1.00 43.21 C ATOM 595 CE LYS A 36 7.201 13.079 0.124 1.00 53.14 C ATOM 596 NZ LYS A 36 8.682 13.026 0.175 1.00 10.13 N ATOM 0 H LYS A 36 3.419 16.403 0.290 1.00 63.44 H new ATOM 0 HA LYS A 36 2.628 13.670 0.404 1.00 1.41 H new ATOM 0 HB2 LYS A 36 4.955 14.594 0.064 1.00 63.31 H new ATOM 0 HB3 LYS A 36 4.959 15.077 1.749 1.00 63.31 H new ATOM 0 HG2 LYS A 36 4.639 12.690 2.415 1.00 34.32 H new ATOM 0 HG3 LYS A 36 4.688 12.226 0.726 1.00 34.32 H new ATOM 0 HD2 LYS A 36 6.941 13.683 2.171 1.00 43.21 H new ATOM 0 HD3 LYS A 36 6.886 11.949 1.926 1.00 43.21 H new ATOM 0 HE2 LYS A 36 6.833 12.299 -0.543 1.00 53.14 H new ATOM 0 HE3 LYS A 36 6.887 14.034 -0.298 1.00 53.14 H new ATOM 0 HZ1 LYS A 36 9.067 13.149 -0.783 1.00 10.13 H new ATOM 0 HZ2 LYS A 36 9.036 13.786 0.791 1.00 10.13 H new ATOM 0 HZ3 LYS A 36 8.984 12.105 0.554 1.00 10.13 H new ATOM 610 N GLU A 37 2.344 15.485 3.102 1.00 2.15 N ATOM 611 CA GLU A 37 1.805 15.526 4.456 1.00 30.44 C ATOM 612 C GLU A 37 0.347 15.068 4.485 1.00 1.34 C ATOM 613 O GLU A 37 -0.080 14.379 5.416 1.00 11.41 O ATOM 614 CB GLU A 37 1.923 16.939 5.026 1.00 4.31 C ATOM 615 CG GLU A 37 3.352 17.443 5.121 1.00 23.02 C ATOM 616 CD GLU A 37 4.204 16.600 6.042 1.00 0.43 C ATOM 617 OE1 GLU A 37 4.049 16.720 7.274 1.00 62.13 O ATOM 618 OE2 GLU A 37 5.030 15.805 5.542 1.00 52.11 O ATOM 0 H GLU A 37 2.628 16.395 2.738 1.00 2.15 H new ATOM 0 HA GLU A 37 2.387 14.841 5.072 1.00 30.44 H new ATOM 0 HB2 GLU A 37 1.347 17.622 4.402 1.00 4.31 H new ATOM 0 HB3 GLU A 37 1.474 16.959 6.019 1.00 4.31 H new ATOM 0 HG2 GLU A 37 3.797 17.452 4.126 1.00 23.02 H new ATOM 0 HG3 GLU A 37 3.347 18.473 5.477 1.00 23.02 H new ATOM 625 N GLU A 38 -0.406 15.447 3.454 1.00 71.52 N ATOM 626 CA GLU A 38 -1.816 15.078 3.345 1.00 63.33 C ATOM 627 C GLU A 38 -1.971 13.570 3.265 1.00 15.22 C ATOM 628 O GLU A 38 -2.816 12.986 3.937 1.00 64.22 O ATOM 629 CB GLU A 38 -2.440 15.709 2.097 1.00 22.44 C ATOM 630 CG GLU A 38 -2.428 17.225 2.086 1.00 20.12 C ATOM 631 CD GLU A 38 -3.264 17.824 3.188 1.00 73.45 C ATOM 632 OE1 GLU A 38 -4.503 17.680 3.144 1.00 75.43 O ATOM 633 OE2 GLU A 38 -2.691 18.448 4.102 1.00 72.12 O ATOM 0 H GLU A 38 -0.061 16.012 2.678 1.00 71.52 H new ATOM 0 HA GLU A 38 -2.327 15.447 4.235 1.00 63.33 H new ATOM 0 HB2 GLU A 38 -1.907 15.348 1.218 1.00 22.44 H new ATOM 0 HB3 GLU A 38 -3.471 15.366 2.008 1.00 22.44 H new ATOM 0 HG2 GLU A 38 -1.401 17.576 2.184 1.00 20.12 H new ATOM 0 HG3 GLU A 38 -2.796 17.580 1.123 1.00 20.12 H new ATOM 640 N ALA A 39 -1.127 12.948 2.450 1.00 40.20 N ATOM 641 CA ALA A 39 -1.179 11.509 2.215 1.00 62.21 C ATOM 642 C ALA A 39 -1.131 10.714 3.514 1.00 23.42 C ATOM 643 O ALA A 39 -1.829 9.712 3.659 1.00 72.12 O ATOM 644 CB ALA A 39 -0.047 11.090 1.297 1.00 60.15 C ATOM 0 H ALA A 39 -0.388 13.426 1.934 1.00 40.20 H new ATOM 0 HA ALA A 39 -2.133 11.288 1.736 1.00 62.21 H new ATOM 0 HB1 ALA A 39 -0.095 10.014 1.128 1.00 60.15 H new ATOM 0 HB2 ALA A 39 -0.139 11.611 0.344 1.00 60.15 H new ATOM 0 HB3 ALA A 39 0.908 11.343 1.758 1.00 60.15 H new ATOM 650 N LEU A 40 -0.322 11.176 4.460 1.00 21.41 N ATOM 651 CA LEU A 40 -0.174 10.499 5.743 1.00 45.11 C ATOM 652 C LEU A 40 -1.513 10.413 6.481 1.00 72.40 C ATOM 653 O LEU A 40 -1.839 9.385 7.080 1.00 14.52 O ATOM 654 CB LEU A 40 0.864 11.223 6.609 1.00 45.22 C ATOM 655 CG LEU A 40 1.157 10.588 7.973 1.00 4.34 C ATOM 656 CD1 LEU A 40 1.716 9.185 7.805 1.00 23.43 C ATOM 657 CD2 LEU A 40 2.120 11.453 8.767 1.00 62.24 C ATOM 0 H LEU A 40 0.243 12.019 4.362 1.00 21.41 H new ATOM 0 HA LEU A 40 0.171 9.483 5.550 1.00 45.11 H new ATOM 0 HB2 LEU A 40 1.798 11.283 6.050 1.00 45.22 H new ATOM 0 HB3 LEU A 40 0.524 12.246 6.771 1.00 45.22 H new ATOM 0 HG LEU A 40 0.220 10.518 8.525 1.00 4.34 H new ATOM 0 HD11 LEU A 40 1.917 8.753 8.786 1.00 23.43 H new ATOM 0 HD12 LEU A 40 0.991 8.565 7.277 1.00 23.43 H new ATOM 0 HD13 LEU A 40 2.642 9.229 7.231 1.00 23.43 H new ATOM 0 HD21 LEU A 40 2.317 10.987 9.732 1.00 62.24 H new ATOM 0 HD22 LEU A 40 3.055 11.556 8.217 1.00 62.24 H new ATOM 0 HD23 LEU A 40 1.680 12.438 8.923 1.00 62.24 H new ATOM 669 N GLU A 41 -2.293 11.486 6.407 1.00 61.42 N ATOM 670 CA GLU A 41 -3.585 11.540 7.077 1.00 72.23 C ATOM 671 C GLU A 41 -4.562 10.556 6.451 1.00 24.32 C ATOM 672 O GLU A 41 -5.334 9.898 7.156 1.00 13.11 O ATOM 673 CB GLU A 41 -4.151 12.952 7.033 1.00 34.31 C ATOM 674 CG GLU A 41 -3.249 13.983 7.680 1.00 2.23 C ATOM 675 CD GLU A 41 -3.904 15.334 7.802 1.00 20.54 C ATOM 676 OE1 GLU A 41 -4.620 15.560 8.799 1.00 20.34 O ATOM 677 OE2 GLU A 41 -3.704 16.179 6.910 1.00 1.43 O ATOM 0 H GLU A 41 -2.052 12.331 5.889 1.00 61.42 H new ATOM 0 HA GLU A 41 -3.438 11.258 8.119 1.00 72.23 H new ATOM 0 HB2 GLU A 41 -4.325 13.233 5.994 1.00 34.31 H new ATOM 0 HB3 GLU A 41 -5.120 12.963 7.533 1.00 34.31 H new ATOM 0 HG2 GLU A 41 -2.958 13.634 8.671 1.00 2.23 H new ATOM 0 HG3 GLU A 41 -2.335 14.079 7.094 1.00 2.23 H new ATOM 684 N LEU A 42 -4.525 10.457 5.124 1.00 21.31 N ATOM 685 CA LEU A 42 -5.363 9.510 4.406 1.00 65.43 C ATOM 686 C LEU A 42 -5.025 8.086 4.825 1.00 71.43 C ATOM 687 O LEU A 42 -5.917 7.264 5.037 1.00 52.32 O ATOM 688 CB LEU A 42 -5.198 9.669 2.885 1.00 61.34 C ATOM 689 CG LEU A 42 -5.982 10.818 2.227 1.00 53.42 C ATOM 690 CD1 LEU A 42 -5.505 12.174 2.714 1.00 3.21 C ATOM 691 CD2 LEU A 42 -5.883 10.731 0.714 1.00 41.11 C ATOM 0 H LEU A 42 -3.922 11.023 4.527 1.00 21.31 H new ATOM 0 HA LEU A 42 -6.403 9.718 4.658 1.00 65.43 H new ATOM 0 HB2 LEU A 42 -4.139 9.811 2.669 1.00 61.34 H new ATOM 0 HB3 LEU A 42 -5.498 8.735 2.410 1.00 61.34 H new ATOM 0 HG LEU A 42 -7.027 10.713 2.518 1.00 53.42 H new ATOM 0 HD11 LEU A 42 -6.083 12.959 2.227 1.00 3.21 H new ATOM 0 HD12 LEU A 42 -5.640 12.241 3.794 1.00 3.21 H new ATOM 0 HD13 LEU A 42 -4.449 12.297 2.472 1.00 3.21 H new ATOM 0 HD21 LEU A 42 -6.443 11.551 0.265 1.00 41.11 H new ATOM 0 HD22 LEU A 42 -4.837 10.798 0.413 1.00 41.11 H new ATOM 0 HD23 LEU A 42 -6.297 9.781 0.376 1.00 41.11 H new ATOM 703 N ILE A 43 -3.728 7.811 4.962 1.00 71.44 N ATOM 704 CA ILE A 43 -3.253 6.495 5.384 1.00 43.34 C ATOM 705 C ILE A 43 -3.838 6.130 6.743 1.00 22.01 C ATOM 706 O ILE A 43 -4.427 5.057 6.911 1.00 43.13 O ATOM 707 CB ILE A 43 -1.706 6.453 5.476 1.00 44.22 C ATOM 708 CG1 ILE A 43 -1.066 6.763 4.116 1.00 13.02 C ATOM 709 CG2 ILE A 43 -1.232 5.100 5.997 1.00 70.53 C ATOM 710 CD1 ILE A 43 -1.409 5.768 3.027 1.00 2.21 C ATOM 0 H ILE A 43 -2.985 8.487 4.786 1.00 71.44 H new ATOM 0 HA ILE A 43 -3.581 5.776 4.633 1.00 43.34 H new ATOM 0 HB ILE A 43 -1.390 7.222 6.182 1.00 44.22 H new ATOM 0 HG12 ILE A 43 -1.381 7.757 3.797 1.00 13.02 H new ATOM 0 HG13 ILE A 43 0.017 6.795 4.236 1.00 13.02 H new ATOM 0 HG21 ILE A 43 -0.143 5.093 6.053 1.00 70.53 H new ATOM 0 HG22 ILE A 43 -1.648 4.926 6.989 1.00 70.53 H new ATOM 0 HG23 ILE A 43 -1.565 4.313 5.321 1.00 70.53 H new ATOM 0 HD11 ILE A 43 -0.917 6.060 2.099 1.00 2.21 H new ATOM 0 HD12 ILE A 43 -1.069 4.775 3.321 1.00 2.21 H new ATOM 0 HD13 ILE A 43 -2.488 5.752 2.876 1.00 2.21 H new ATOM 722 N ASN A 44 -3.691 7.042 7.704 1.00 12.25 N ATOM 723 CA ASN A 44 -4.204 6.833 9.061 1.00 33.02 C ATOM 724 C ASN A 44 -5.705 6.595 9.037 1.00 53.13 C ATOM 725 O ASN A 44 -6.241 5.833 9.846 1.00 61.43 O ATOM 726 CB ASN A 44 -3.889 8.039 9.959 1.00 74.11 C ATOM 727 CG ASN A 44 -2.400 8.271 10.152 1.00 65.23 C ATOM 728 OD1 ASN A 44 -1.596 7.336 10.102 1.00 43.42 O ATOM 729 ND2 ASN A 44 -2.025 9.519 10.381 1.00 62.34 N ATOM 0 H ASN A 44 -3.219 7.936 7.569 1.00 12.25 H new ATOM 0 HA ASN A 44 -3.710 5.952 9.469 1.00 33.02 H new ATOM 0 HB2 ASN A 44 -4.336 8.933 9.525 1.00 74.11 H new ATOM 0 HB3 ASN A 44 -4.356 7.890 10.933 1.00 74.11 H new ATOM 0 HD21 ASN A 44 -1.039 9.737 10.524 1.00 62.34 H new ATOM 0 HD22 ASN A 44 -2.722 10.263 10.414 1.00 62.34 H new ATOM 736 N GLY A 45 -6.378 7.248 8.105 1.00 5.22 N ATOM 737 CA GLY A 45 -7.804 7.090 7.971 1.00 35.45 C ATOM 738 C GLY A 45 -8.182 5.703 7.499 1.00 30.00 C ATOM 739 O GLY A 45 -9.059 5.063 8.083 1.00 1.04 O ATOM 0 H GLY A 45 -5.955 7.890 7.434 1.00 5.22 H new ATOM 0 HA2 GLY A 45 -8.282 7.289 8.930 1.00 35.45 H new ATOM 0 HA3 GLY A 45 -8.185 7.829 7.266 1.00 35.45 H new ATOM 743 N TYR A 46 -7.503 5.227 6.454 1.00 51.35 N ATOM 744 CA TYR A 46 -7.778 3.904 5.889 1.00 55.31 C ATOM 745 C TYR A 46 -7.592 2.821 6.937 1.00 61.45 C ATOM 746 O TYR A 46 -8.448 1.954 7.102 1.00 3.35 O ATOM 747 CB TYR A 46 -6.868 3.612 4.693 1.00 61.23 C ATOM 748 CG TYR A 46 -6.940 4.632 3.580 1.00 62.11 C ATOM 749 CD1 TYR A 46 -8.136 5.259 3.245 1.00 54.40 C ATOM 750 CD2 TYR A 46 -5.804 4.971 2.864 1.00 40.44 C ATOM 751 CE1 TYR A 46 -8.189 6.191 2.228 1.00 10.34 C ATOM 752 CE2 TYR A 46 -5.850 5.899 1.849 1.00 31.01 C ATOM 753 CZ TYR A 46 -7.040 6.506 1.533 1.00 23.01 C ATOM 754 OH TYR A 46 -7.082 7.429 0.515 1.00 11.21 O ATOM 0 H TYR A 46 -6.758 5.738 5.981 1.00 51.35 H new ATOM 0 HA TYR A 46 -8.814 3.905 5.551 1.00 55.31 H new ATOM 0 HB2 TYR A 46 -5.838 3.550 5.044 1.00 61.23 H new ATOM 0 HB3 TYR A 46 -7.126 2.634 4.288 1.00 61.23 H new ATOM 0 HD1 TYR A 46 -9.036 5.013 3.789 1.00 54.40 H new ATOM 0 HD2 TYR A 46 -4.864 4.498 3.107 1.00 40.44 H new ATOM 0 HE1 TYR A 46 -9.124 6.670 1.978 1.00 10.34 H new ATOM 0 HE2 TYR A 46 -4.953 6.149 1.303 1.00 31.01 H new ATOM 0 HH TYR A 46 -6.850 6.993 -0.332 1.00 11.21 H new ATOM 764 N ILE A 47 -6.472 2.890 7.653 1.00 64.12 N ATOM 765 CA ILE A 47 -6.155 1.917 8.696 1.00 54.20 C ATOM 766 C ILE A 47 -7.288 1.834 9.725 1.00 43.33 C ATOM 767 O ILE A 47 -7.648 0.748 10.192 1.00 73.33 O ATOM 768 CB ILE A 47 -4.822 2.275 9.411 1.00 12.41 C ATOM 769 CG1 ILE A 47 -3.666 2.295 8.401 1.00 24.32 C ATOM 770 CG2 ILE A 47 -4.529 1.290 10.540 1.00 33.42 C ATOM 771 CD1 ILE A 47 -2.335 2.712 8.996 1.00 13.41 C ATOM 0 H ILE A 47 -5.765 3.614 7.529 1.00 64.12 H new ATOM 0 HA ILE A 47 -6.041 0.946 8.214 1.00 54.20 H new ATOM 0 HB ILE A 47 -4.923 3.269 9.847 1.00 12.41 H new ATOM 0 HG12 ILE A 47 -3.562 1.302 7.964 1.00 24.32 H new ATOM 0 HG13 ILE A 47 -3.919 2.976 7.588 1.00 24.32 H new ATOM 0 HG21 ILE A 47 -3.591 1.561 11.025 1.00 33.42 H new ATOM 0 HG22 ILE A 47 -5.338 1.322 11.270 1.00 33.42 H new ATOM 0 HG23 ILE A 47 -4.448 0.282 10.132 1.00 33.42 H new ATOM 0 HD11 ILE A 47 -1.570 2.701 8.220 1.00 13.41 H new ATOM 0 HD12 ILE A 47 -2.420 3.718 9.408 1.00 13.41 H new ATOM 0 HD13 ILE A 47 -2.057 2.017 9.789 1.00 13.41 H new ATOM 783 N GLN A 48 -7.862 2.979 10.053 1.00 63.52 N ATOM 784 CA GLN A 48 -8.951 3.032 11.012 1.00 64.35 C ATOM 785 C GLN A 48 -10.250 2.507 10.403 1.00 13.13 C ATOM 786 O GLN A 48 -10.979 1.761 11.046 1.00 61.45 O ATOM 787 CB GLN A 48 -9.140 4.452 11.541 1.00 2.02 C ATOM 788 CG GLN A 48 -7.952 4.966 12.337 1.00 73.21 C ATOM 789 CD GLN A 48 -8.150 6.379 12.835 1.00 31.02 C ATOM 790 OE1 GLN A 48 -8.680 6.595 13.925 1.00 42.04 O ATOM 791 NE2 GLN A 48 -7.713 7.350 12.055 1.00 70.20 N ATOM 0 H GLN A 48 -7.592 3.884 9.669 1.00 63.52 H new ATOM 0 HA GLN A 48 -8.688 2.386 11.850 1.00 64.35 H new ATOM 0 HB2 GLN A 48 -9.322 5.123 10.701 1.00 2.02 H new ATOM 0 HB3 GLN A 48 -10.029 4.481 12.171 1.00 2.02 H new ATOM 0 HG2 GLN A 48 -7.777 4.307 13.187 1.00 73.21 H new ATOM 0 HG3 GLN A 48 -7.058 4.927 11.714 1.00 73.21 H new ATOM 0 HE21 GLN A 48 -7.279 7.128 11.159 1.00 70.20 H new ATOM 0 HE22 GLN A 48 -7.809 8.322 12.349 1.00 70.20 H new ATOM 800 N LYS A 49 -10.522 2.879 9.149 1.00 24.01 N ATOM 801 CA LYS A 49 -11.743 2.441 8.459 1.00 21.34 C ATOM 802 C LYS A 49 -11.810 0.919 8.358 1.00 45.33 C ATOM 803 O LYS A 49 -12.870 0.318 8.568 1.00 4.21 O ATOM 804 CB LYS A 49 -11.830 3.061 7.057 1.00 51.41 C ATOM 805 CG LYS A 49 -11.991 4.574 7.052 1.00 1.14 C ATOM 806 CD LYS A 49 -13.292 5.001 7.712 1.00 35.44 C ATOM 807 CE LYS A 49 -13.419 6.513 7.759 1.00 72.43 C ATOM 808 NZ LYS A 49 -14.676 6.945 8.419 1.00 24.41 N ATOM 0 H LYS A 49 -9.916 3.481 8.591 1.00 24.01 H new ATOM 0 HA LYS A 49 -12.592 2.784 9.051 1.00 21.34 H new ATOM 0 HB2 LYS A 49 -10.929 2.801 6.501 1.00 51.41 H new ATOM 0 HB3 LYS A 49 -12.672 2.616 6.527 1.00 51.41 H new ATOM 0 HG2 LYS A 49 -11.150 5.032 7.574 1.00 1.14 H new ATOM 0 HG3 LYS A 49 -11.966 4.940 6.025 1.00 1.14 H new ATOM 0 HD2 LYS A 49 -14.135 4.580 7.164 1.00 35.44 H new ATOM 0 HD3 LYS A 49 -13.337 4.599 8.724 1.00 35.44 H new ATOM 0 HE2 LYS A 49 -12.566 6.932 8.293 1.00 72.43 H new ATOM 0 HE3 LYS A 49 -13.387 6.911 6.745 1.00 72.43 H new ATOM 0 HZ1 LYS A 49 -14.723 7.984 8.430 1.00 24.41 H new ATOM 0 HZ2 LYS A 49 -15.491 6.567 7.895 1.00 24.41 H new ATOM 0 HZ3 LYS A 49 -14.696 6.587 9.395 1.00 24.41 H new ATOM 822 N ILE A 50 -10.679 0.304 8.047 1.00 74.25 N ATOM 823 CA ILE A 50 -10.603 -1.145 7.918 1.00 33.45 C ATOM 824 C ILE A 50 -10.925 -1.833 9.244 1.00 14.31 C ATOM 825 O ILE A 50 -11.816 -2.679 9.314 1.00 0.53 O ATOM 826 CB ILE A 50 -9.203 -1.594 7.428 1.00 40.44 C ATOM 827 CG1 ILE A 50 -8.902 -0.979 6.061 1.00 12.52 C ATOM 828 CG2 ILE A 50 -9.118 -3.118 7.358 1.00 5.41 C ATOM 829 CD1 ILE A 50 -7.494 -1.231 5.571 1.00 42.03 C ATOM 0 H ILE A 50 -9.797 0.788 7.878 1.00 74.25 H new ATOM 0 HA ILE A 50 -11.345 -1.440 7.176 1.00 33.45 H new ATOM 0 HB ILE A 50 -8.458 -1.244 8.142 1.00 40.44 H new ATOM 0 HG12 ILE A 50 -9.607 -1.378 5.331 1.00 12.52 H new ATOM 0 HG13 ILE A 50 -9.071 0.097 6.113 1.00 12.52 H new ATOM 0 HG21 ILE A 50 -8.127 -3.412 7.012 1.00 5.41 H new ATOM 0 HG22 ILE A 50 -9.296 -3.538 8.348 1.00 5.41 H new ATOM 0 HG23 ILE A 50 -9.871 -3.493 6.664 1.00 5.41 H new ATOM 0 HD11 ILE A 50 -7.359 -0.763 4.596 1.00 42.03 H new ATOM 0 HD12 ILE A 50 -6.781 -0.807 6.278 1.00 42.03 H new ATOM 0 HD13 ILE A 50 -7.325 -2.304 5.485 1.00 42.03 H new ATOM 841 N LYS A 51 -10.221 -1.442 10.298 1.00 34.34 N ATOM 842 CA LYS A 51 -10.404 -2.060 11.610 1.00 22.31 C ATOM 843 C LYS A 51 -11.753 -1.694 12.234 1.00 71.43 C ATOM 844 O LYS A 51 -12.260 -2.413 13.098 1.00 22.04 O ATOM 845 CB LYS A 51 -9.261 -1.683 12.552 1.00 31.31 C ATOM 846 CG LYS A 51 -7.894 -2.169 12.086 1.00 72.23 C ATOM 847 CD LYS A 51 -6.818 -1.918 13.135 1.00 32.32 C ATOM 848 CE LYS A 51 -6.628 -0.435 13.408 1.00 3.52 C ATOM 849 NZ LYS A 51 -5.637 -0.197 14.485 1.00 62.22 N ATOM 0 H LYS A 51 -9.519 -0.702 10.273 1.00 34.34 H new ATOM 0 HA LYS A 51 -10.394 -3.140 11.460 1.00 22.31 H new ATOM 0 HB2 LYS A 51 -9.234 -0.599 12.659 1.00 31.31 H new ATOM 0 HB3 LYS A 51 -9.466 -2.096 13.540 1.00 31.31 H new ATOM 0 HG2 LYS A 51 -7.943 -3.235 11.863 1.00 72.23 H new ATOM 0 HG3 LYS A 51 -7.624 -1.662 11.160 1.00 72.23 H new ATOM 0 HD2 LYS A 51 -7.088 -2.426 14.061 1.00 32.32 H new ATOM 0 HD3 LYS A 51 -5.875 -2.349 12.798 1.00 32.32 H new ATOM 0 HE2 LYS A 51 -6.301 0.064 12.496 1.00 3.52 H new ATOM 0 HE3 LYS A 51 -7.583 0.009 13.688 1.00 3.52 H new ATOM 0 HZ1 LYS A 51 -5.534 0.826 14.643 1.00 62.22 H new ATOM 0 HZ2 LYS A 51 -5.962 -0.652 15.362 1.00 62.22 H new ATOM 0 HZ3 LYS A 51 -4.719 -0.598 14.207 1.00 62.22 H new ATOM 863 N SER A 52 -12.327 -0.579 11.803 1.00 32.32 N ATOM 864 CA SER A 52 -13.629 -0.148 12.299 1.00 72.13 C ATOM 865 C SER A 52 -14.737 -1.007 11.696 1.00 54.14 C ATOM 866 O SER A 52 -15.849 -1.078 12.230 1.00 20.23 O ATOM 867 CB SER A 52 -13.863 1.336 11.969 1.00 34.22 C ATOM 868 OG SER A 52 -15.147 1.777 12.399 1.00 72.31 O ATOM 0 H SER A 52 -11.912 0.045 11.111 1.00 32.32 H new ATOM 0 HA SER A 52 -13.646 -0.269 13.382 1.00 72.13 H new ATOM 0 HB2 SER A 52 -13.092 1.941 12.447 1.00 34.22 H new ATOM 0 HB3 SER A 52 -13.767 1.489 10.894 1.00 34.22 H new ATOM 0 HG SER A 52 -15.800 1.630 11.683 1.00 72.31 H new ATOM 874 N GLY A 53 -14.425 -1.669 10.594 1.00 64.21 N ATOM 875 CA GLY A 53 -15.401 -2.496 9.933 1.00 42.01 C ATOM 876 C GLY A 53 -16.227 -1.708 8.947 1.00 64.13 C ATOM 877 O GLY A 53 -17.394 -2.033 8.698 1.00 43.33 O ATOM 0 H GLY A 53 -13.509 -1.646 10.147 1.00 64.21 H new ATOM 0 HA2 GLY A 53 -14.896 -3.311 9.415 1.00 42.01 H new ATOM 0 HA3 GLY A 53 -16.057 -2.949 10.676 1.00 42.01 H new ATOM 881 N GLU A 54 -15.637 -0.655 8.396 1.00 61.04 N ATOM 882 CA GLU A 54 -16.324 0.171 7.418 1.00 30.24 C ATOM 883 C GLU A 54 -16.172 -0.447 6.043 1.00 63.41 C ATOM 884 O GLU A 54 -17.133 -0.949 5.462 1.00 51.51 O ATOM 885 CB GLU A 54 -15.760 1.599 7.407 1.00 43.31 C ATOM 886 CG GLU A 54 -15.721 2.270 8.769 1.00 34.31 C ATOM 887 CD GLU A 54 -17.046 2.217 9.485 1.00 22.52 C ATOM 888 OE1 GLU A 54 -18.015 2.841 9.008 1.00 34.33 O ATOM 889 OE2 GLU A 54 -17.127 1.543 10.531 1.00 22.44 O ATOM 0 H GLU A 54 -14.686 -0.355 8.611 1.00 61.04 H new ATOM 0 HA GLU A 54 -17.379 0.223 7.689 1.00 30.24 H new ATOM 0 HB2 GLU A 54 -14.750 1.574 6.999 1.00 43.31 H new ATOM 0 HB3 GLU A 54 -16.361 2.209 6.732 1.00 43.31 H new ATOM 0 HG2 GLU A 54 -14.961 1.788 9.384 1.00 34.31 H new ATOM 0 HG3 GLU A 54 -15.420 3.311 8.648 1.00 34.31 H new ATOM 896 N GLU A 55 -14.951 -0.424 5.540 1.00 72.33 N ATOM 897 CA GLU A 55 -14.638 -0.997 4.248 1.00 5.32 C ATOM 898 C GLU A 55 -13.375 -1.827 4.355 1.00 13.14 C ATOM 899 O GLU A 55 -12.570 -1.624 5.266 1.00 62.53 O ATOM 900 CB GLU A 55 -14.472 0.098 3.189 1.00 74.34 C ATOM 901 CG GLU A 55 -15.728 0.919 2.960 1.00 30.52 C ATOM 902 CD GLU A 55 -15.579 1.926 1.846 1.00 33.03 C ATOM 903 OE1 GLU A 55 -15.095 3.049 2.109 1.00 54.32 O ATOM 904 OE2 GLU A 55 -15.961 1.604 0.699 1.00 34.22 O ATOM 0 H GLU A 55 -14.151 -0.008 6.017 1.00 72.33 H new ATOM 0 HA GLU A 55 -15.464 -1.637 3.938 1.00 5.32 H new ATOM 0 HB2 GLU A 55 -13.663 0.764 3.491 1.00 74.34 H new ATOM 0 HB3 GLU A 55 -14.172 -0.362 2.247 1.00 74.34 H new ATOM 0 HG2 GLU A 55 -16.556 0.249 2.728 1.00 30.52 H new ATOM 0 HG3 GLU A 55 -15.988 1.440 3.881 1.00 30.52 H new ATOM 911 N ASP A 56 -13.214 -2.773 3.453 1.00 13.25 N ATOM 912 CA ASP A 56 -12.045 -3.644 3.466 1.00 4.10 C ATOM 913 C ASP A 56 -10.862 -2.958 2.815 1.00 25.13 C ATOM 914 O ASP A 56 -11.014 -1.911 2.179 1.00 71.21 O ATOM 915 CB ASP A 56 -12.336 -4.959 2.734 1.00 71.33 C ATOM 916 CG ASP A 56 -13.450 -5.759 3.370 1.00 74.32 C ATOM 917 OD1 ASP A 56 -13.173 -6.528 4.315 1.00 51.11 O ATOM 918 OD2 ASP A 56 -14.609 -5.631 2.920 1.00 3.03 O ATOM 0 H ASP A 56 -13.875 -2.963 2.700 1.00 13.25 H new ATOM 0 HA ASP A 56 -11.806 -3.863 4.507 1.00 4.10 H new ATOM 0 HB2 ASP A 56 -12.599 -4.741 1.699 1.00 71.33 H new ATOM 0 HB3 ASP A 56 -11.429 -5.564 2.712 1.00 71.33 H new ATOM 923 N PHE A 57 -9.690 -3.557 2.958 1.00 23.42 N ATOM 924 CA PHE A 57 -8.471 -3.027 2.366 1.00 14.22 C ATOM 925 C PHE A 57 -8.624 -2.962 0.854 1.00 60.43 C ATOM 926 O PHE A 57 -8.290 -1.958 0.224 1.00 63.23 O ATOM 927 CB PHE A 57 -7.279 -3.920 2.742 1.00 73.54 C ATOM 928 CG PHE A 57 -5.941 -3.404 2.287 1.00 3.31 C ATOM 929 CD1 PHE A 57 -5.215 -2.533 3.082 1.00 34.23 C ATOM 930 CD2 PHE A 57 -5.406 -3.796 1.070 1.00 3.14 C ATOM 931 CE1 PHE A 57 -3.985 -2.064 2.674 1.00 70.14 C ATOM 932 CE2 PHE A 57 -4.176 -3.329 0.658 1.00 3.35 C ATOM 933 CZ PHE A 57 -3.465 -2.462 1.460 1.00 65.22 C ATOM 0 H PHE A 57 -9.557 -4.420 3.485 1.00 23.42 H new ATOM 0 HA PHE A 57 -8.290 -2.022 2.747 1.00 14.22 H new ATOM 0 HB2 PHE A 57 -7.258 -4.039 3.825 1.00 73.54 H new ATOM 0 HB3 PHE A 57 -7.436 -4.911 2.316 1.00 73.54 H new ATOM 0 HD1 PHE A 57 -5.618 -2.217 4.033 1.00 34.23 H new ATOM 0 HD2 PHE A 57 -5.959 -4.475 0.437 1.00 3.14 H new ATOM 0 HE1 PHE A 57 -3.429 -1.386 3.304 1.00 70.14 H new ATOM 0 HE2 PHE A 57 -3.770 -3.642 -0.292 1.00 3.35 H new ATOM 0 HZ PHE A 57 -2.502 -2.095 1.138 1.00 65.22 H new ATOM 943 N GLU A 58 -9.162 -4.034 0.286 1.00 15.30 N ATOM 944 CA GLU A 58 -9.386 -4.118 -1.149 1.00 53.11 C ATOM 945 C GLU A 58 -10.430 -3.098 -1.587 1.00 11.02 C ATOM 946 O GLU A 58 -10.331 -2.513 -2.670 1.00 34.02 O ATOM 947 CB GLU A 58 -9.841 -5.524 -1.529 1.00 74.22 C ATOM 948 CG GLU A 58 -8.910 -6.618 -1.041 1.00 22.32 C ATOM 949 CD GLU A 58 -9.368 -7.994 -1.455 1.00 3.41 C ATOM 950 OE1 GLU A 58 -10.427 -8.444 -0.975 1.00 72.31 O ATOM 951 OE2 GLU A 58 -8.667 -8.639 -2.255 1.00 23.21 O ATOM 0 H GLU A 58 -9.453 -4.863 0.804 1.00 15.30 H new ATOM 0 HA GLU A 58 -8.448 -3.898 -1.658 1.00 53.11 H new ATOM 0 HB2 GLU A 58 -10.837 -5.697 -1.120 1.00 74.22 H new ATOM 0 HB3 GLU A 58 -9.926 -5.588 -2.614 1.00 74.22 H new ATOM 0 HG2 GLU A 58 -7.908 -6.439 -1.432 1.00 22.32 H new ATOM 0 HG3 GLU A 58 -8.841 -6.573 0.046 1.00 22.32 H new ATOM 958 N SER A 59 -11.424 -2.884 -0.739 1.00 12.35 N ATOM 959 CA SER A 59 -12.479 -1.928 -1.017 1.00 23.15 C ATOM 960 C SER A 59 -11.911 -0.511 -1.090 1.00 41.11 C ATOM 961 O SER A 59 -12.220 0.248 -2.006 1.00 32.53 O ATOM 962 CB SER A 59 -13.548 -2.008 0.068 1.00 0.03 C ATOM 963 OG SER A 59 -14.061 -3.327 0.185 1.00 12.02 O ATOM 0 H SER A 59 -11.520 -3.366 0.155 1.00 12.35 H new ATOM 0 HA SER A 59 -12.927 -2.171 -1.980 1.00 23.15 H new ATOM 0 HB2 SER A 59 -13.126 -1.693 1.022 1.00 0.03 H new ATOM 0 HB3 SER A 59 -14.359 -1.318 -0.165 1.00 0.03 H new ATOM 0 HG SER A 59 -14.743 -3.352 0.888 1.00 12.02 H new ATOM 969 N LEU A 60 -11.062 -0.173 -0.130 1.00 11.34 N ATOM 970 CA LEU A 60 -10.448 1.144 -0.083 1.00 4.51 C ATOM 971 C LEU A 60 -9.437 1.320 -1.208 1.00 34.04 C ATOM 972 O LEU A 60 -9.218 2.428 -1.682 1.00 12.42 O ATOM 973 CB LEU A 60 -9.771 1.374 1.270 1.00 74.14 C ATOM 974 CG LEU A 60 -10.704 1.399 2.482 1.00 73.02 C ATOM 975 CD1 LEU A 60 -9.907 1.559 3.761 1.00 14.14 C ATOM 976 CD2 LEU A 60 -11.721 2.520 2.348 1.00 34.31 C ATOM 0 H LEU A 60 -10.783 -0.795 0.628 1.00 11.34 H new ATOM 0 HA LEU A 60 -11.238 1.883 -0.214 1.00 4.51 H new ATOM 0 HB2 LEU A 60 -9.029 0.591 1.422 1.00 74.14 H new ATOM 0 HB3 LEU A 60 -9.232 2.321 1.230 1.00 74.14 H new ATOM 0 HG LEU A 60 -11.239 0.450 2.524 1.00 73.02 H new ATOM 0 HD11 LEU A 60 -10.586 1.575 4.613 1.00 14.14 H new ATOM 0 HD12 LEU A 60 -9.214 0.724 3.865 1.00 14.14 H new ATOM 0 HD13 LEU A 60 -9.347 2.493 3.726 1.00 14.14 H new ATOM 0 HD21 LEU A 60 -12.376 2.523 3.219 1.00 34.31 H new ATOM 0 HD22 LEU A 60 -11.202 3.476 2.281 1.00 34.31 H new ATOM 0 HD23 LEU A 60 -12.315 2.366 1.447 1.00 34.31 H new ATOM 988 N ALA A 61 -8.836 0.223 -1.636 1.00 23.02 N ATOM 989 CA ALA A 61 -7.839 0.261 -2.694 1.00 33.13 C ATOM 990 C ALA A 61 -8.429 0.750 -4.019 1.00 3.04 C ATOM 991 O ALA A 61 -7.929 1.692 -4.617 1.00 65.22 O ATOM 992 CB ALA A 61 -7.196 -1.106 -2.867 1.00 10.41 C ATOM 0 H ALA A 61 -9.022 -0.709 -1.266 1.00 23.02 H new ATOM 0 HA ALA A 61 -7.073 0.977 -2.396 1.00 33.13 H new ATOM 0 HB1 ALA A 61 -6.452 -1.060 -3.663 1.00 10.41 H new ATOM 0 HB2 ALA A 61 -6.713 -1.401 -1.936 1.00 10.41 H new ATOM 0 HB3 ALA A 61 -7.961 -1.838 -3.127 1.00 10.41 H new ATOM 998 N SER A 62 -9.501 0.132 -4.454 1.00 44.13 N ATOM 999 CA SER A 62 -10.112 0.486 -5.730 1.00 13.23 C ATOM 1000 C SER A 62 -10.877 1.820 -5.670 1.00 51.44 C ATOM 1001 O SER A 62 -11.384 2.300 -6.684 1.00 1.01 O ATOM 1002 CB SER A 62 -11.019 -0.644 -6.208 1.00 75.45 C ATOM 1003 OG SER A 62 -10.273 -1.849 -6.358 1.00 3.12 O ATOM 0 H SER A 62 -9.974 -0.618 -3.950 1.00 44.13 H new ATOM 0 HA SER A 62 -9.306 0.626 -6.450 1.00 13.23 H new ATOM 0 HB2 SER A 62 -11.828 -0.796 -5.494 1.00 75.45 H new ATOM 0 HB3 SER A 62 -11.479 -0.373 -7.158 1.00 75.45 H new ATOM 0 HG SER A 62 -9.367 -1.637 -6.664 1.00 3.12 H new ATOM 1009 N GLN A 63 -10.961 2.414 -4.489 1.00 72.25 N ATOM 1010 CA GLN A 63 -11.690 3.667 -4.330 1.00 72.24 C ATOM 1011 C GLN A 63 -10.773 4.839 -3.969 1.00 73.20 C ATOM 1012 O GLN A 63 -10.839 5.903 -4.586 1.00 75.21 O ATOM 1013 CB GLN A 63 -12.768 3.525 -3.261 1.00 72.43 C ATOM 1014 CG GLN A 63 -13.889 2.566 -3.620 1.00 51.22 C ATOM 1015 CD GLN A 63 -14.906 2.421 -2.502 1.00 22.02 C ATOM 1016 OE1 GLN A 63 -16.093 2.189 -2.746 1.00 75.41 O ATOM 1017 NE2 GLN A 63 -14.450 2.555 -1.271 1.00 15.42 N ATOM 0 H GLN A 63 -10.538 2.054 -3.633 1.00 72.25 H new ATOM 0 HA GLN A 63 -12.147 3.885 -5.295 1.00 72.24 H new ATOM 0 HB2 GLN A 63 -12.302 3.188 -2.335 1.00 72.43 H new ATOM 0 HB3 GLN A 63 -13.197 4.507 -3.063 1.00 72.43 H new ATOM 0 HG2 GLN A 63 -14.391 2.919 -4.521 1.00 51.22 H new ATOM 0 HG3 GLN A 63 -13.467 1.588 -3.853 1.00 51.22 H new ATOM 0 HE21 GLN A 63 -13.461 2.747 -1.112 1.00 15.42 H new ATOM 0 HE22 GLN A 63 -15.087 2.467 -0.479 1.00 15.42 H new ATOM 1026 N PHE A 64 -9.917 4.643 -2.979 1.00 11.12 N ATOM 1027 CA PHE A 64 -9.099 5.733 -2.461 1.00 2.41 C ATOM 1028 C PHE A 64 -7.604 5.433 -2.531 1.00 22.44 C ATOM 1029 O PHE A 64 -6.823 5.954 -1.735 1.00 74.21 O ATOM 1030 CB PHE A 64 -9.499 6.029 -1.017 1.00 33.40 C ATOM 1031 CG PHE A 64 -10.943 6.388 -0.854 1.00 35.33 C ATOM 1032 CD1 PHE A 64 -11.405 7.637 -1.228 1.00 50.04 C ATOM 1033 CD2 PHE A 64 -11.841 5.475 -0.329 1.00 74.22 C ATOM 1034 CE1 PHE A 64 -12.734 7.969 -1.083 1.00 54.41 C ATOM 1035 CE2 PHE A 64 -13.170 5.801 -0.180 1.00 12.45 C ATOM 1036 CZ PHE A 64 -13.619 7.050 -0.558 1.00 51.21 C ATOM 0 H PHE A 64 -9.769 3.745 -2.519 1.00 11.12 H new ATOM 0 HA PHE A 64 -9.280 6.603 -3.092 1.00 2.41 H new ATOM 0 HB2 PHE A 64 -9.279 5.156 -0.402 1.00 33.40 H new ATOM 0 HB3 PHE A 64 -8.886 6.847 -0.640 1.00 33.40 H new ATOM 0 HD1 PHE A 64 -10.716 8.360 -1.638 1.00 50.04 H new ATOM 0 HD2 PHE A 64 -11.495 4.496 -0.033 1.00 74.22 H new ATOM 0 HE1 PHE A 64 -13.083 8.947 -1.380 1.00 54.41 H new ATOM 0 HE2 PHE A 64 -13.861 5.080 0.232 1.00 12.45 H new ATOM 0 HZ PHE A 64 -14.661 7.308 -0.443 1.00 51.21 H new ATOM 1046 N SER A 65 -7.203 4.625 -3.478 1.00 22.43 N ATOM 1047 CA SER A 65 -5.803 4.305 -3.627 1.00 65.21 C ATOM 1048 C SER A 65 -5.320 4.667 -5.015 1.00 22.32 C ATOM 1049 O SER A 65 -6.047 4.528 -5.993 1.00 71.34 O ATOM 1050 CB SER A 65 -5.559 2.826 -3.337 1.00 24.23 C ATOM 1051 OG SER A 65 -4.179 2.487 -3.413 1.00 1.32 O ATOM 0 H SER A 65 -7.820 4.178 -4.155 1.00 22.43 H new ATOM 0 HA SER A 65 -5.235 4.892 -2.905 1.00 65.21 H new ATOM 0 HB2 SER A 65 -5.937 2.584 -2.344 1.00 24.23 H new ATOM 0 HB3 SER A 65 -6.121 2.220 -4.048 1.00 24.23 H new ATOM 0 HG SER A 65 -4.085 1.516 -3.507 1.00 1.32 H new ATOM 1057 N ASP A 66 -4.100 5.145 -5.086 1.00 51.02 N ATOM 1058 CA ASP A 66 -3.490 5.529 -6.340 1.00 22.54 C ATOM 1059 C ASP A 66 -2.530 4.443 -6.790 1.00 61.55 C ATOM 1060 O ASP A 66 -1.781 4.615 -7.754 1.00 5.14 O ATOM 1061 CB ASP A 66 -2.730 6.848 -6.184 1.00 41.20 C ATOM 1062 CG ASP A 66 -3.573 7.964 -5.602 1.00 10.04 C ATOM 1063 OD1 ASP A 66 -4.654 8.250 -6.147 1.00 61.14 O ATOM 1064 OD2 ASP A 66 -3.146 8.574 -4.597 1.00 35.42 O ATOM 0 H ASP A 66 -3.499 5.280 -4.273 1.00 51.02 H new ATOM 0 HA ASP A 66 -4.274 5.661 -7.085 1.00 22.54 H new ATOM 0 HB2 ASP A 66 -1.863 6.686 -5.543 1.00 41.20 H new ATOM 0 HB3 ASP A 66 -2.352 7.158 -7.158 1.00 41.20 H new ATOM 1069 N ASP A 67 -2.555 3.324 -6.072 1.00 54.53 N ATOM 1070 CA ASP A 67 -1.689 2.185 -6.369 1.00 3.42 C ATOM 1071 C ASP A 67 -2.077 1.572 -7.703 1.00 54.44 C ATOM 1072 O ASP A 67 -3.262 1.476 -8.025 1.00 40.11 O ATOM 1073 CB ASP A 67 -1.802 1.122 -5.264 1.00 72.43 C ATOM 1074 CG ASP A 67 -0.652 0.129 -5.277 1.00 51.31 C ATOM 1075 OD1 ASP A 67 -0.525 -0.634 -6.259 1.00 23.15 O ATOM 1076 OD2 ASP A 67 0.126 0.107 -4.299 1.00 74.45 O ATOM 0 H ASP A 67 -3.172 3.180 -5.272 1.00 54.53 H new ATOM 0 HA ASP A 67 -0.659 2.538 -6.418 1.00 3.42 H new ATOM 0 HB2 ASP A 67 -1.837 1.617 -4.293 1.00 72.43 H new ATOM 0 HB3 ASP A 67 -2.742 0.583 -5.381 1.00 72.43 H new ATOM 1081 N SER A 68 -1.091 1.153 -8.466 1.00 71.23 N ATOM 1082 CA SER A 68 -1.331 0.560 -9.769 1.00 53.51 C ATOM 1083 C SER A 68 -2.066 -0.784 -9.652 1.00 23.02 C ATOM 1084 O SER A 68 -2.820 -1.172 -10.550 1.00 1.12 O ATOM 1085 CB SER A 68 -0.005 0.395 -10.512 1.00 20.55 C ATOM 1086 OG SER A 68 0.982 -0.178 -9.663 1.00 43.51 O ATOM 0 H SER A 68 -0.106 1.212 -8.206 1.00 71.23 H new ATOM 0 HA SER A 68 -1.977 1.229 -10.338 1.00 53.51 H new ATOM 0 HB2 SER A 68 -0.150 -0.238 -11.387 1.00 20.55 H new ATOM 0 HB3 SER A 68 0.338 1.365 -10.873 1.00 20.55 H new ATOM 0 HG SER A 68 1.822 -0.277 -10.158 1.00 43.51 H new ATOM 1092 N SER A 69 -1.863 -1.481 -8.541 1.00 75.53 N ATOM 1093 CA SER A 69 -2.509 -2.766 -8.328 1.00 54.44 C ATOM 1094 C SER A 69 -3.914 -2.572 -7.769 1.00 43.10 C ATOM 1095 O SER A 69 -4.744 -3.480 -7.814 1.00 54.25 O ATOM 1096 CB SER A 69 -1.688 -3.614 -7.365 1.00 42.14 C ATOM 1097 OG SER A 69 -0.316 -3.613 -7.723 1.00 71.44 O ATOM 0 H SER A 69 -1.258 -1.178 -7.777 1.00 75.53 H new ATOM 0 HA SER A 69 -2.578 -3.278 -9.288 1.00 54.44 H new ATOM 0 HB2 SER A 69 -1.802 -3.231 -6.351 1.00 42.14 H new ATOM 0 HB3 SER A 69 -2.066 -4.637 -7.364 1.00 42.14 H new ATOM 0 HG SER A 69 0.221 -3.315 -6.959 1.00 71.44 H new ATOM 1103 N ALA A 70 -4.179 -1.370 -7.265 1.00 73.10 N ATOM 1104 CA ALA A 70 -5.465 -1.049 -6.652 1.00 3.10 C ATOM 1105 C ALA A 70 -6.596 -1.075 -7.671 1.00 72.45 C ATOM 1106 O ALA A 70 -7.771 -1.156 -7.303 1.00 71.01 O ATOM 1107 CB ALA A 70 -5.399 0.302 -5.972 1.00 61.22 C ATOM 0 H ALA A 70 -3.514 -0.596 -7.269 1.00 73.10 H new ATOM 0 HA ALA A 70 -5.677 -1.814 -5.905 1.00 3.10 H new ATOM 0 HB1 ALA A 70 -6.364 0.529 -5.519 1.00 61.22 H new ATOM 0 HB2 ALA A 70 -4.631 0.283 -5.199 1.00 61.22 H new ATOM 0 HB3 ALA A 70 -5.154 1.068 -6.708 1.00 61.22 H new ATOM 1113 N LYS A 71 -6.238 -1.019 -8.950 1.00 1.31 N ATOM 1114 CA LYS A 71 -7.223 -1.061 -10.027 1.00 11.44 C ATOM 1115 C LYS A 71 -7.986 -2.383 -10.000 1.00 32.21 C ATOM 1116 O LYS A 71 -9.130 -2.470 -10.454 1.00 61.52 O ATOM 1117 CB LYS A 71 -6.541 -0.873 -11.381 1.00 24.24 C ATOM 1118 CG LYS A 71 -5.761 0.427 -11.496 1.00 0.03 C ATOM 1119 CD LYS A 71 -5.078 0.560 -12.848 1.00 2.23 C ATOM 1120 CE LYS A 71 -6.084 0.699 -13.981 1.00 31.15 C ATOM 1121 NZ LYS A 71 -5.413 0.818 -15.300 1.00 22.31 N ATOM 0 H LYS A 71 -5.271 -0.944 -9.267 1.00 1.31 H new ATOM 0 HA LYS A 71 -7.932 -0.246 -9.878 1.00 11.44 H new ATOM 0 HB2 LYS A 71 -5.864 -1.709 -11.557 1.00 24.24 H new ATOM 0 HB3 LYS A 71 -7.297 -0.904 -12.166 1.00 24.24 H new ATOM 0 HG2 LYS A 71 -6.436 1.270 -11.345 1.00 0.03 H new ATOM 0 HG3 LYS A 71 -5.013 0.473 -10.705 1.00 0.03 H new ATOM 0 HD2 LYS A 71 -4.420 1.429 -12.838 1.00 2.23 H new ATOM 0 HD3 LYS A 71 -4.450 -0.313 -13.025 1.00 2.23 H new ATOM 0 HE2 LYS A 71 -6.747 -0.166 -13.987 1.00 31.15 H new ATOM 0 HE3 LYS A 71 -6.707 1.577 -13.809 1.00 31.15 H new ATOM 0 HZ1 LYS A 71 -6.130 0.911 -16.047 1.00 22.31 H new ATOM 0 HZ2 LYS A 71 -4.799 1.658 -15.303 1.00 22.31 H new ATOM 0 HZ3 LYS A 71 -4.839 -0.031 -15.475 1.00 22.31 H new ATOM 1135 N ALA A 72 -7.348 -3.406 -9.461 1.00 14.11 N ATOM 1136 CA ALA A 72 -7.961 -4.704 -9.331 1.00 30.12 C ATOM 1137 C ALA A 72 -7.730 -5.253 -7.934 1.00 33.44 C ATOM 1138 O ALA A 72 -6.780 -6.004 -7.703 1.00 52.21 O ATOM 1139 CB ALA A 72 -7.428 -5.663 -10.387 1.00 21.33 C ATOM 0 H ALA A 72 -6.394 -3.355 -9.104 1.00 14.11 H new ATOM 0 HA ALA A 72 -9.034 -4.599 -9.489 1.00 30.12 H new ATOM 0 HB1 ALA A 72 -7.905 -6.636 -10.269 1.00 21.33 H new ATOM 0 HB2 ALA A 72 -7.647 -5.269 -11.380 1.00 21.33 H new ATOM 0 HB3 ALA A 72 -6.350 -5.771 -10.269 1.00 21.33 H new ATOM 1145 N ARG A 73 -8.580 -4.818 -6.991 1.00 3.43 N ATOM 1146 CA ARG A 73 -8.530 -5.256 -5.577 1.00 51.31 C ATOM 1147 C ARG A 73 -7.350 -4.654 -4.810 1.00 44.11 C ATOM 1148 O ARG A 73 -7.504 -4.212 -3.681 1.00 25.24 O ATOM 1149 CB ARG A 73 -8.491 -6.786 -5.464 1.00 60.41 C ATOM 1150 CG ARG A 73 -9.712 -7.479 -6.026 1.00 30.15 C ATOM 1151 CD ARG A 73 -9.530 -8.984 -6.045 1.00 30.24 C ATOM 1152 NE ARG A 73 -9.348 -9.542 -4.706 1.00 15.40 N ATOM 1153 CZ ARG A 73 -9.485 -10.829 -4.404 1.00 40.33 C ATOM 1154 NH1 ARG A 73 -9.780 -11.712 -5.353 1.00 11.32 N ATOM 1155 NH2 ARG A 73 -9.319 -11.229 -3.154 1.00 22.14 N ATOM 0 H ARG A 73 -9.326 -4.150 -7.183 1.00 3.43 H new ATOM 0 HA ARG A 73 -9.447 -4.885 -5.120 1.00 51.31 H new ATOM 0 HB2 ARG A 73 -7.606 -7.155 -5.983 1.00 60.41 H new ATOM 0 HB3 ARG A 73 -8.383 -7.059 -4.414 1.00 60.41 H new ATOM 0 HG2 ARG A 73 -10.586 -7.224 -5.427 1.00 30.15 H new ATOM 0 HG3 ARG A 73 -9.903 -7.121 -7.038 1.00 30.15 H new ATOM 0 HD2 ARG A 73 -10.399 -9.446 -6.513 1.00 30.24 H new ATOM 0 HD3 ARG A 73 -8.666 -9.235 -6.660 1.00 30.24 H new ATOM 0 HE ARG A 73 -9.099 -8.900 -3.953 1.00 15.40 H new ATOM 0 HH11 ARG A 73 -9.902 -11.403 -6.317 1.00 11.32 H new ATOM 0 HH12 ARG A 73 -9.884 -12.699 -5.117 1.00 11.32 H new ATOM 0 HH21 ARG A 73 -9.087 -10.551 -2.428 1.00 22.14 H new ATOM 0 HH22 ARG A 73 -9.423 -12.215 -2.916 1.00 22.14 H new ATOM 1169 N GLY A 74 -6.185 -4.639 -5.428 1.00 70.33 N ATOM 1170 CA GLY A 74 -4.991 -4.175 -4.748 1.00 12.35 C ATOM 1171 C GLY A 74 -4.245 -5.339 -4.145 1.00 54.21 C ATOM 1172 O GLY A 74 -3.184 -5.177 -3.531 1.00 2.53 O ATOM 0 H GLY A 74 -6.040 -4.940 -6.392 1.00 70.33 H new ATOM 0 HA2 GLY A 74 -4.347 -3.646 -5.450 1.00 12.35 H new ATOM 0 HA3 GLY A 74 -5.262 -3.464 -3.967 1.00 12.35 H new ATOM 1176 N ASP A 75 -4.816 -6.519 -4.337 1.00 73.21 N ATOM 1177 CA ASP A 75 -4.267 -7.765 -3.831 1.00 71.11 C ATOM 1178 C ASP A 75 -3.126 -8.242 -4.711 1.00 12.02 C ATOM 1179 O ASP A 75 -3.236 -8.249 -5.941 1.00 31.43 O ATOM 1180 CB ASP A 75 -5.375 -8.833 -3.779 1.00 75.22 C ATOM 1181 CG ASP A 75 -4.873 -10.220 -3.398 1.00 23.23 C ATOM 1182 OD1 ASP A 75 -4.848 -10.544 -2.188 1.00 11.13 O ATOM 1183 OD2 ASP A 75 -4.534 -11.002 -4.310 1.00 23.35 O ATOM 0 H ASP A 75 -5.686 -6.638 -4.856 1.00 73.21 H new ATOM 0 HA ASP A 75 -3.879 -7.596 -2.827 1.00 71.11 H new ATOM 0 HB2 ASP A 75 -6.134 -8.521 -3.061 1.00 75.22 H new ATOM 0 HB3 ASP A 75 -5.861 -8.887 -4.753 1.00 75.22 H new ATOM 1188 N LEU A 76 -2.035 -8.616 -4.088 1.00 75.45 N ATOM 1189 CA LEU A 76 -0.891 -9.135 -4.806 1.00 41.32 C ATOM 1190 C LEU A 76 -0.725 -10.602 -4.506 1.00 24.35 C ATOM 1191 O LEU A 76 -1.405 -11.145 -3.642 1.00 32.11 O ATOM 1192 CB LEU A 76 0.391 -8.388 -4.434 1.00 34.32 C ATOM 1193 CG LEU A 76 0.470 -6.920 -4.846 1.00 0.24 C ATOM 1194 CD1 LEU A 76 1.806 -6.331 -4.421 1.00 3.04 C ATOM 1195 CD2 LEU A 76 0.275 -6.772 -6.349 1.00 51.03 C ATOM 0 H LEU A 76 -1.913 -8.571 -3.076 1.00 75.45 H new ATOM 0 HA LEU A 76 -1.070 -8.991 -5.872 1.00 41.32 H new ATOM 0 HB2 LEU A 76 0.518 -8.446 -3.353 1.00 34.32 H new ATOM 0 HB3 LEU A 76 1.234 -8.914 -4.882 1.00 34.32 H new ATOM 0 HG LEU A 76 -0.330 -6.374 -4.345 1.00 0.24 H new ATOM 0 HD11 LEU A 76 1.853 -5.284 -4.719 1.00 3.04 H new ATOM 0 HD12 LEU A 76 1.908 -6.405 -3.338 1.00 3.04 H new ATOM 0 HD13 LEU A 76 2.615 -6.882 -4.900 1.00 3.04 H new ATOM 0 HD21 LEU A 76 0.335 -5.718 -6.622 1.00 51.03 H new ATOM 0 HD22 LEU A 76 1.053 -7.327 -6.873 1.00 51.03 H new ATOM 0 HD23 LEU A 76 -0.703 -7.164 -6.629 1.00 51.03 H new ATOM 1207 N GLY A 77 0.169 -11.239 -5.217 1.00 12.05 N ATOM 1208 CA GLY A 77 0.422 -12.635 -4.998 1.00 63.03 C ATOM 1209 C GLY A 77 1.669 -12.843 -4.178 1.00 12.32 C ATOM 1210 O GLY A 77 2.373 -11.882 -3.859 1.00 32.30 O ATOM 0 H GLY A 77 0.733 -10.811 -5.952 1.00 12.05 H new ATOM 0 HA2 GLY A 77 -0.430 -13.086 -4.489 1.00 63.03 H new ATOM 0 HA3 GLY A 77 0.526 -13.143 -5.957 1.00 63.03 H new ATOM 1214 N ALA A 78 1.953 -14.084 -3.839 1.00 75.53 N ATOM 1215 CA ALA A 78 3.130 -14.398 -3.055 1.00 1.42 C ATOM 1216 C ALA A 78 4.376 -14.304 -3.919 1.00 13.21 C ATOM 1217 O ALA A 78 4.589 -15.131 -4.802 1.00 33.22 O ATOM 1218 CB ALA A 78 3.006 -15.786 -2.446 1.00 21.40 C ATOM 0 H ALA A 78 1.385 -14.892 -4.094 1.00 75.53 H new ATOM 0 HA ALA A 78 3.214 -13.674 -2.245 1.00 1.42 H new ATOM 0 HB1 ALA A 78 3.898 -16.007 -1.860 1.00 21.40 H new ATOM 0 HB2 ALA A 78 2.129 -15.823 -1.800 1.00 21.40 H new ATOM 0 HB3 ALA A 78 2.902 -16.524 -3.241 1.00 21.40 H new ATOM 1224 N PHE A 79 5.196 -13.304 -3.663 1.00 44.43 N ATOM 1225 CA PHE A 79 6.402 -13.089 -4.451 1.00 24.53 C ATOM 1226 C PHE A 79 7.660 -13.328 -3.624 1.00 25.31 C ATOM 1227 O PHE A 79 7.611 -13.355 -2.395 1.00 12.31 O ATOM 1228 CB PHE A 79 6.411 -11.679 -5.069 1.00 64.51 C ATOM 1229 CG PHE A 79 6.333 -10.553 -4.068 1.00 62.24 C ATOM 1230 CD1 PHE A 79 5.107 -10.095 -3.613 1.00 4.43 C ATOM 1231 CD2 PHE A 79 7.485 -9.948 -3.593 1.00 40.24 C ATOM 1232 CE1 PHE A 79 5.033 -9.061 -2.702 1.00 75.02 C ATOM 1233 CE2 PHE A 79 7.417 -8.914 -2.683 1.00 42.44 C ATOM 1234 CZ PHE A 79 6.190 -8.469 -2.236 1.00 43.53 C ATOM 0 H PHE A 79 5.052 -12.625 -2.916 1.00 44.43 H new ATOM 0 HA PHE A 79 6.398 -13.817 -5.263 1.00 24.53 H new ATOM 0 HB2 PHE A 79 7.320 -11.561 -5.658 1.00 64.51 H new ATOM 0 HB3 PHE A 79 5.571 -11.594 -5.758 1.00 64.51 H new ATOM 0 HD1 PHE A 79 4.198 -10.553 -3.976 1.00 4.43 H new ATOM 0 HD2 PHE A 79 8.449 -10.290 -3.940 1.00 40.24 H new ATOM 0 HE1 PHE A 79 4.071 -8.715 -2.354 1.00 75.02 H new ATOM 0 HE2 PHE A 79 8.324 -8.453 -2.320 1.00 42.44 H new ATOM 0 HZ PHE A 79 6.135 -7.659 -1.523 1.00 43.53 H new ATOM 1244 N SER A 80 8.774 -13.511 -4.313 1.00 4.24 N ATOM 1245 CA SER A 80 10.054 -13.763 -3.677 1.00 0.40 C ATOM 1246 C SER A 80 10.773 -12.440 -3.391 1.00 61.51 C ATOM 1247 O SER A 80 10.383 -11.392 -3.903 1.00 50.02 O ATOM 1248 CB SER A 80 10.909 -14.661 -4.592 1.00 14.42 C ATOM 1249 OG SER A 80 12.151 -15.005 -3.995 1.00 21.41 O ATOM 0 H SER A 80 8.815 -13.489 -5.332 1.00 4.24 H new ATOM 0 HA SER A 80 9.894 -14.273 -2.727 1.00 0.40 H new ATOM 0 HB2 SER A 80 10.356 -15.571 -4.826 1.00 14.42 H new ATOM 0 HB3 SER A 80 11.091 -14.147 -5.536 1.00 14.42 H new ATOM 0 HG SER A 80 12.661 -15.576 -4.607 1.00 21.41 H new ATOM 1255 N ARG A 81 11.815 -12.499 -2.576 1.00 43.20 N ATOM 1256 CA ARG A 81 12.581 -11.314 -2.223 1.00 44.11 C ATOM 1257 C ARG A 81 13.420 -10.839 -3.407 1.00 3.44 C ATOM 1258 O ARG A 81 14.141 -11.626 -4.028 1.00 61.33 O ATOM 1259 CB ARG A 81 13.465 -11.600 -1.006 1.00 13.42 C ATOM 1260 CG ARG A 81 12.669 -11.851 0.267 1.00 45.12 C ATOM 1261 CD ARG A 81 13.555 -12.277 1.427 1.00 63.32 C ATOM 1262 NE ARG A 81 14.177 -13.584 1.197 1.00 31.01 N ATOM 1263 CZ ARG A 81 14.318 -14.533 2.131 1.00 21.11 C ATOM 1264 NH1 ARG A 81 13.825 -14.353 3.356 1.00 74.51 N ATOM 1265 NH2 ARG A 81 14.936 -15.667 1.829 1.00 72.12 N ATOM 0 H ARG A 81 12.151 -13.360 -2.145 1.00 43.20 H new ATOM 0 HA ARG A 81 11.886 -10.515 -1.965 1.00 44.11 H new ATOM 0 HB2 ARG A 81 14.089 -12.469 -1.214 1.00 13.42 H new ATOM 0 HB3 ARG A 81 14.137 -10.757 -0.847 1.00 13.42 H new ATOM 0 HG2 ARG A 81 12.128 -10.945 0.539 1.00 45.12 H new ATOM 0 HG3 ARG A 81 11.923 -12.623 0.080 1.00 45.12 H new ATOM 0 HD2 ARG A 81 14.332 -11.529 1.582 1.00 63.32 H new ATOM 0 HD3 ARG A 81 12.962 -12.314 2.341 1.00 63.32 H new ATOM 0 HE ARG A 81 14.527 -13.785 0.260 1.00 31.01 H new ATOM 0 HH11 ARG A 81 13.336 -13.488 3.587 1.00 74.51 H new ATOM 0 HH12 ARG A 81 13.936 -15.080 4.062 1.00 74.51 H new ATOM 0 HH21 ARG A 81 15.302 -15.814 0.888 1.00 72.12 H new ATOM 0 HH22 ARG A 81 15.046 -16.392 2.538 1.00 72.12 H new ATOM 1279 N GLY A 82 13.312 -9.560 -3.718 1.00 20.13 N ATOM 1280 CA GLY A 82 14.028 -8.998 -4.838 1.00 73.32 C ATOM 1281 C GLY A 82 13.086 -8.582 -5.944 1.00 21.52 C ATOM 1282 O GLY A 82 13.420 -8.677 -7.126 1.00 72.25 O ATOM 0 H GLY A 82 12.733 -8.894 -3.207 1.00 20.13 H new ATOM 0 HA2 GLY A 82 14.605 -8.135 -4.506 1.00 73.32 H new ATOM 0 HA3 GLY A 82 14.740 -9.730 -5.221 1.00 73.32 H new ATOM 1286 N GLN A 83 11.909 -8.120 -5.566 1.00 61.53 N ATOM 1287 CA GLN A 83 10.899 -7.721 -6.531 1.00 14.55 C ATOM 1288 C GLN A 83 10.459 -6.278 -6.316 1.00 75.31 C ATOM 1289 O GLN A 83 10.168 -5.560 -7.277 1.00 74.13 O ATOM 1290 CB GLN A 83 9.679 -8.646 -6.441 1.00 4.33 C ATOM 1291 CG GLN A 83 9.956 -10.101 -6.803 1.00 52.40 C ATOM 1292 CD GLN A 83 9.900 -10.384 -8.300 1.00 34.20 C ATOM 1293 OE1 GLN A 83 10.248 -9.411 -9.118 1.00 2.00 O flip ATOM 1294 NE2 GLN A 83 9.543 -11.487 -8.714 1.00 14.44 N flip ATOM 0 H GLN A 83 11.627 -8.011 -4.592 1.00 61.53 H new ATOM 0 HA GLN A 83 11.345 -7.800 -7.522 1.00 14.55 H new ATOM 0 HB2 GLN A 83 9.284 -8.607 -5.426 1.00 4.33 H new ATOM 0 HB3 GLN A 83 8.900 -8.263 -7.101 1.00 4.33 H new ATOM 0 HG2 GLN A 83 10.941 -10.378 -6.427 1.00 52.40 H new ATOM 0 HG3 GLN A 83 9.230 -10.736 -6.295 1.00 52.40 H new ATOM 0 HE21 GLN A 83 9.280 -12.219 -8.054 1.00 14.44 H new ATOM 0 HE22 GLN A 83 9.510 -11.669 -9.717 1.00 14.44 H new ATOM 1303 N MET A 84 10.409 -5.854 -5.066 1.00 41.52 N ATOM 1304 CA MET A 84 9.942 -4.511 -4.741 1.00 54.43 C ATOM 1305 C MET A 84 10.995 -3.756 -3.950 1.00 63.24 C ATOM 1306 O MET A 84 12.043 -4.315 -3.610 1.00 31.12 O ATOM 1307 CB MET A 84 8.643 -4.583 -3.923 1.00 10.10 C ATOM 1308 CG MET A 84 7.523 -5.373 -4.588 1.00 13.44 C ATOM 1309 SD MET A 84 6.968 -4.641 -6.140 1.00 23.55 S ATOM 1310 CE MET A 84 5.727 -5.832 -6.645 1.00 24.45 C ATOM 0 H MET A 84 10.684 -6.415 -4.260 1.00 41.52 H new ATOM 0 HA MET A 84 9.752 -3.982 -5.675 1.00 54.43 H new ATOM 0 HB2 MET A 84 8.862 -5.032 -2.954 1.00 10.10 H new ATOM 0 HB3 MET A 84 8.292 -3.569 -3.732 1.00 10.10 H new ATOM 0 HG2 MET A 84 7.865 -6.391 -4.775 1.00 13.44 H new ATOM 0 HG3 MET A 84 6.678 -5.442 -3.903 1.00 13.44 H new ATOM 0 HE1 MET A 84 5.288 -5.520 -7.593 1.00 24.45 H new ATOM 0 HE2 MET A 84 6.190 -6.811 -6.764 1.00 24.45 H new ATOM 0 HE3 MET A 84 4.947 -5.889 -5.885 1.00 24.45 H new ATOM 1320 N GLN A 85 10.723 -2.477 -3.672 1.00 74.14 N ATOM 1321 CA GLN A 85 11.614 -1.668 -2.848 1.00 24.43 C ATOM 1322 C GLN A 85 11.767 -2.335 -1.494 1.00 4.14 C ATOM 1323 O GLN A 85 10.777 -2.620 -0.830 1.00 22.33 O ATOM 1324 CB GLN A 85 11.060 -0.249 -2.672 1.00 21.35 C ATOM 1325 CG GLN A 85 10.839 0.498 -3.975 1.00 24.41 C ATOM 1326 CD GLN A 85 10.437 1.942 -3.755 1.00 51.25 C ATOM 1327 OE1 GLN A 85 9.250 2.267 -3.650 1.00 31.24 O ATOM 1328 NE2 GLN A 85 11.419 2.816 -3.685 1.00 51.40 N ATOM 0 H GLN A 85 9.895 -1.985 -4.006 1.00 74.14 H new ATOM 0 HA GLN A 85 12.584 -1.591 -3.340 1.00 24.43 H new ATOM 0 HB2 GLN A 85 10.114 -0.304 -2.133 1.00 21.35 H new ATOM 0 HB3 GLN A 85 11.748 0.323 -2.050 1.00 21.35 H new ATOM 0 HG2 GLN A 85 11.753 0.465 -4.568 1.00 24.41 H new ATOM 0 HG3 GLN A 85 10.065 -0.007 -4.553 1.00 24.41 H new ATOM 0 HE21 GLN A 85 12.386 2.505 -3.777 1.00 51.40 H new ATOM 0 HE22 GLN A 85 11.213 3.804 -3.539 1.00 51.40 H new ATOM 1337 N LYS A 86 12.997 -2.566 -1.083 1.00 22.05 N ATOM 1338 CA LYS A 86 13.267 -3.311 0.141 1.00 15.21 C ATOM 1339 C LYS A 86 12.641 -2.724 1.428 1.00 34.10 C ATOM 1340 O LYS A 86 12.187 -3.491 2.266 1.00 4.32 O ATOM 1341 CB LYS A 86 14.749 -3.634 0.295 1.00 64.41 C ATOM 1342 CG LYS A 86 15.236 -4.582 -0.793 1.00 23.55 C ATOM 1343 CD LYS A 86 16.473 -5.351 -0.379 1.00 14.22 C ATOM 1344 CE LYS A 86 16.827 -6.414 -1.415 1.00 74.01 C ATOM 1345 NZ LYS A 86 15.704 -7.367 -1.651 1.00 40.44 N ATOM 0 H LYS A 86 13.832 -2.250 -1.577 1.00 22.05 H new ATOM 0 HA LYS A 86 12.736 -4.254 0.011 1.00 15.21 H new ATOM 0 HB2 LYS A 86 15.328 -2.711 0.259 1.00 64.41 H new ATOM 0 HB3 LYS A 86 14.924 -4.082 1.273 1.00 64.41 H new ATOM 0 HG2 LYS A 86 14.441 -5.285 -1.041 1.00 23.55 H new ATOM 0 HG3 LYS A 86 15.451 -4.013 -1.697 1.00 23.55 H new ATOM 0 HD2 LYS A 86 17.310 -4.663 -0.258 1.00 14.22 H new ATOM 0 HD3 LYS A 86 16.305 -5.823 0.589 1.00 14.22 H new ATOM 0 HE2 LYS A 86 17.093 -5.929 -2.354 1.00 74.01 H new ATOM 0 HE3 LYS A 86 17.706 -6.966 -1.081 1.00 74.01 H new ATOM 0 HZ1 LYS A 86 16.080 -8.333 -1.733 1.00 40.44 H new ATOM 0 HZ2 LYS A 86 15.037 -7.322 -0.854 1.00 40.44 H new ATOM 0 HZ3 LYS A 86 15.211 -7.111 -2.530 1.00 40.44 H new ATOM 1359 N PRO A 87 12.590 -1.372 1.623 1.00 40.40 N ATOM 1360 CA PRO A 87 11.909 -0.785 2.797 1.00 64.21 C ATOM 1361 C PRO A 87 10.433 -1.223 2.869 1.00 72.42 C ATOM 1362 O PRO A 87 9.814 -1.216 3.934 1.00 44.34 O ATOM 1363 CB PRO A 87 12.006 0.735 2.557 1.00 54.51 C ATOM 1364 CG PRO A 87 12.400 0.883 1.124 1.00 4.52 C ATOM 1365 CD PRO A 87 13.205 -0.334 0.786 1.00 74.32 C ATOM 0 HA PRO A 87 12.361 -1.102 3.737 1.00 64.21 H new ATOM 0 HB2 PRO A 87 11.053 1.226 2.756 1.00 54.51 H new ATOM 0 HB3 PRO A 87 12.744 1.191 3.217 1.00 54.51 H new ATOM 0 HG2 PRO A 87 11.521 0.959 0.484 1.00 4.52 H new ATOM 0 HG3 PRO A 87 12.984 1.791 0.972 1.00 4.52 H new ATOM 0 HD2 PRO A 87 13.142 -0.579 -0.274 1.00 74.32 H new ATOM 0 HD3 PRO A 87 14.261 -0.199 1.020 1.00 74.32 H new ATOM 1373 N PHE A 88 9.898 -1.608 1.721 1.00 35.31 N ATOM 1374 CA PHE A 88 8.530 -2.087 1.598 1.00 11.55 C ATOM 1375 C PHE A 88 8.513 -3.621 1.606 1.00 44.41 C ATOM 1376 O PHE A 88 7.754 -4.251 2.343 1.00 3.44 O ATOM 1377 CB PHE A 88 7.925 -1.545 0.279 1.00 51.40 C ATOM 1378 CG PHE A 88 6.630 -2.193 -0.154 1.00 30.04 C ATOM 1379 CD1 PHE A 88 6.642 -3.362 -0.906 1.00 71.15 C ATOM 1380 CD2 PHE A 88 5.411 -1.631 0.177 1.00 72.53 C ATOM 1381 CE1 PHE A 88 5.468 -3.955 -1.312 1.00 3.13 C ATOM 1382 CE2 PHE A 88 4.229 -2.224 -0.228 1.00 21.33 C ATOM 1383 CZ PHE A 88 4.260 -3.388 -0.973 1.00 2.02 C ATOM 0 H PHE A 88 10.408 -1.597 0.838 1.00 35.31 H new ATOM 0 HA PHE A 88 7.935 -1.733 2.440 1.00 11.55 H new ATOM 0 HB2 PHE A 88 7.756 -0.474 0.390 1.00 51.40 H new ATOM 0 HB3 PHE A 88 8.659 -1.672 -0.517 1.00 51.40 H new ATOM 0 HD1 PHE A 88 7.586 -3.812 -1.176 1.00 71.15 H new ATOM 0 HD2 PHE A 88 5.381 -0.721 0.757 1.00 72.53 H new ATOM 0 HE1 PHE A 88 5.494 -4.863 -1.895 1.00 3.13 H new ATOM 0 HE2 PHE A 88 3.282 -1.778 0.038 1.00 21.33 H new ATOM 0 HZ PHE A 88 3.337 -3.852 -1.289 1.00 2.02 H new ATOM 1393 N GLU A 89 9.371 -4.197 0.785 1.00 73.41 N ATOM 1394 CA GLU A 89 9.471 -5.638 0.613 1.00 3.21 C ATOM 1395 C GLU A 89 9.835 -6.345 1.916 1.00 63.11 C ATOM 1396 O GLU A 89 9.144 -7.264 2.341 1.00 24.04 O ATOM 1397 CB GLU A 89 10.512 -5.946 -0.453 1.00 55.02 C ATOM 1398 CG GLU A 89 10.676 -7.413 -0.761 1.00 11.44 C ATOM 1399 CD GLU A 89 11.756 -7.657 -1.777 1.00 40.44 C ATOM 1400 OE1 GLU A 89 11.461 -7.600 -2.987 1.00 32.32 O ATOM 1401 OE2 GLU A 89 12.914 -7.908 -1.372 1.00 55.15 O ATOM 0 H GLU A 89 10.029 -3.671 0.209 1.00 73.41 H new ATOM 0 HA GLU A 89 8.494 -6.010 0.303 1.00 3.21 H new ATOM 0 HB2 GLU A 89 10.240 -5.423 -1.370 1.00 55.02 H new ATOM 0 HB3 GLU A 89 11.473 -5.546 -0.131 1.00 55.02 H new ATOM 0 HG2 GLU A 89 10.913 -7.952 0.156 1.00 11.44 H new ATOM 0 HG3 GLU A 89 9.732 -7.813 -1.131 1.00 11.44 H new ATOM 1408 N ASP A 90 10.906 -5.899 2.552 1.00 64.24 N ATOM 1409 CA ASP A 90 11.382 -6.521 3.787 1.00 41.13 C ATOM 1410 C ASP A 90 10.309 -6.468 4.865 1.00 30.32 C ATOM 1411 O ASP A 90 10.133 -7.418 5.630 1.00 61.14 O ATOM 1412 CB ASP A 90 12.663 -5.839 4.271 1.00 41.51 C ATOM 1413 CG ASP A 90 13.246 -6.489 5.507 1.00 21.24 C ATOM 1414 OD1 ASP A 90 13.975 -7.494 5.365 1.00 30.32 O ATOM 1415 OD2 ASP A 90 12.992 -5.992 6.624 1.00 11.43 O ATOM 0 H ASP A 90 11.466 -5.107 2.237 1.00 64.24 H new ATOM 0 HA ASP A 90 11.605 -7.567 3.579 1.00 41.13 H new ATOM 0 HB2 ASP A 90 13.404 -5.860 3.472 1.00 41.51 H new ATOM 0 HB3 ASP A 90 12.453 -4.791 4.483 1.00 41.51 H new ATOM 1420 N ALA A 91 9.571 -5.366 4.894 1.00 10.42 N ATOM 1421 CA ALA A 91 8.492 -5.189 5.853 1.00 5.42 C ATOM 1422 C ALA A 91 7.338 -6.144 5.553 1.00 52.11 C ATOM 1423 O ALA A 91 6.631 -6.580 6.456 1.00 74.12 O ATOM 1424 CB ALA A 91 8.007 -3.747 5.846 1.00 25.02 C ATOM 0 H ALA A 91 9.702 -4.578 4.260 1.00 10.42 H new ATOM 0 HA ALA A 91 8.876 -5.421 6.846 1.00 5.42 H new ATOM 0 HB1 ALA A 91 7.200 -3.631 6.569 1.00 25.02 H new ATOM 0 HB2 ALA A 91 8.831 -3.085 6.113 1.00 25.02 H new ATOM 0 HB3 ALA A 91 7.643 -3.490 4.851 1.00 25.02 H new ATOM 1430 N SER A 92 7.170 -6.478 4.279 1.00 42.23 N ATOM 1431 CA SER A 92 6.118 -7.392 3.856 1.00 41.45 C ATOM 1432 C SER A 92 6.395 -8.800 4.377 1.00 71.15 C ATOM 1433 O SER A 92 5.486 -9.506 4.817 1.00 33.10 O ATOM 1434 CB SER A 92 6.019 -7.410 2.330 1.00 44.41 C ATOM 1435 OG SER A 92 5.783 -6.108 1.813 1.00 21.25 O ATOM 0 H SER A 92 7.752 -6.127 3.518 1.00 42.23 H new ATOM 0 HA SER A 92 5.171 -7.046 4.269 1.00 41.45 H new ATOM 0 HB2 SER A 92 6.941 -7.809 1.908 1.00 44.41 H new ATOM 0 HB3 SER A 92 5.213 -8.077 2.023 1.00 44.41 H new ATOM 0 HG SER A 92 6.545 -5.529 2.023 1.00 21.25 H new ATOM 1441 N PHE A 93 7.662 -9.194 4.338 1.00 32.33 N ATOM 1442 CA PHE A 93 8.075 -10.505 4.816 1.00 32.11 C ATOM 1443 C PHE A 93 8.156 -10.525 6.341 1.00 53.55 C ATOM 1444 O PHE A 93 8.247 -11.589 6.958 1.00 43.54 O ATOM 1445 CB PHE A 93 9.423 -10.908 4.195 1.00 11.42 C ATOM 1446 CG PHE A 93 9.350 -11.196 2.715 1.00 53.34 C ATOM 1447 CD1 PHE A 93 9.325 -10.167 1.791 1.00 24.35 C ATOM 1448 CD2 PHE A 93 9.296 -12.499 2.253 1.00 50.33 C ATOM 1449 CE1 PHE A 93 9.249 -10.431 0.437 1.00 63.22 C ATOM 1450 CE2 PHE A 93 9.219 -12.768 0.901 1.00 61.34 C ATOM 1451 CZ PHE A 93 9.195 -11.733 -0.007 1.00 51.45 C ATOM 0 H PHE A 93 8.424 -8.620 3.978 1.00 32.33 H new ATOM 0 HA PHE A 93 7.324 -11.232 4.507 1.00 32.11 H new ATOM 0 HB2 PHE A 93 10.144 -10.109 4.365 1.00 11.42 H new ATOM 0 HB3 PHE A 93 9.800 -11.792 4.710 1.00 11.42 H new ATOM 0 HD1 PHE A 93 9.365 -9.143 2.133 1.00 24.35 H new ATOM 0 HD2 PHE A 93 9.314 -13.316 2.959 1.00 50.33 H new ATOM 0 HE1 PHE A 93 9.232 -9.617 -0.272 1.00 63.22 H new ATOM 0 HE2 PHE A 93 9.178 -13.790 0.555 1.00 61.34 H new ATOM 0 HZ PHE A 93 9.134 -11.942 -1.065 1.00 51.45 H new ATOM 1461 N ALA A 94 8.110 -9.343 6.942 1.00 41.24 N ATOM 1462 CA ALA A 94 8.170 -9.215 8.389 1.00 74.13 C ATOM 1463 C ALA A 94 6.776 -9.304 9.002 1.00 33.41 C ATOM 1464 O ALA A 94 6.624 -9.355 10.229 1.00 30.31 O ATOM 1465 CB ALA A 94 8.838 -7.905 8.778 1.00 3.34 C ATOM 0 H ALA A 94 8.031 -8.456 6.445 1.00 41.24 H new ATOM 0 HA ALA A 94 8.766 -10.040 8.779 1.00 74.13 H new ATOM 0 HB1 ALA A 94 8.875 -7.824 9.864 1.00 3.34 H new ATOM 0 HB2 ALA A 94 9.851 -7.880 8.377 1.00 3.34 H new ATOM 0 HB3 ALA A 94 8.267 -7.070 8.371 1.00 3.34 H new ATOM 1471 N LEU A 95 5.763 -9.310 8.149 1.00 62.13 N ATOM 1472 CA LEU A 95 4.385 -9.416 8.596 1.00 42.21 C ATOM 1473 C LEU A 95 3.989 -10.876 8.731 1.00 31.34 C ATOM 1474 O LEU A 95 4.243 -11.678 7.832 1.00 0.32 O ATOM 1475 CB LEU A 95 3.442 -8.703 7.622 1.00 24.14 C ATOM 1476 CG LEU A 95 3.673 -7.200 7.445 1.00 3.01 C ATOM 1477 CD1 LEU A 95 2.671 -6.623 6.463 1.00 4.33 C ATOM 1478 CD2 LEU A 95 3.586 -6.479 8.783 1.00 32.53 C ATOM 0 H LEU A 95 5.872 -9.242 7.137 1.00 62.13 H new ATOM 0 HA LEU A 95 4.303 -8.934 9.570 1.00 42.21 H new ATOM 0 HB2 LEU A 95 3.529 -9.181 6.647 1.00 24.14 H new ATOM 0 HB3 LEU A 95 2.418 -8.856 7.961 1.00 24.14 H new ATOM 0 HG LEU A 95 4.676 -7.052 7.044 1.00 3.01 H new ATOM 0 HD11 LEU A 95 2.848 -5.554 6.348 1.00 4.33 H new ATOM 0 HD12 LEU A 95 2.783 -7.115 5.497 1.00 4.33 H new ATOM 0 HD13 LEU A 95 1.660 -6.785 6.837 1.00 4.33 H new ATOM 0 HD21 LEU A 95 3.753 -5.412 8.633 1.00 32.53 H new ATOM 0 HD22 LEU A 95 2.598 -6.634 9.216 1.00 32.53 H new ATOM 0 HD23 LEU A 95 4.344 -6.874 9.459 1.00 32.53 H new ATOM 1490 N ARG A 96 3.380 -11.218 9.857 1.00 65.04 N ATOM 1491 CA ARG A 96 2.963 -12.591 10.117 1.00 64.42 C ATOM 1492 C ARG A 96 1.764 -13.018 9.245 1.00 4.54 C ATOM 1493 O ARG A 96 1.948 -13.574 8.173 1.00 72.22 O ATOM 1494 CB ARG A 96 2.708 -12.818 11.625 1.00 71.43 C ATOM 1495 CG ARG A 96 1.911 -11.714 12.323 1.00 64.24 C ATOM 1496 CD ARG A 96 1.912 -11.906 13.832 1.00 3.22 C ATOM 1497 NE ARG A 96 1.381 -13.214 14.217 1.00 34.24 N ATOM 1498 CZ ARG A 96 1.524 -13.764 15.420 1.00 11.03 C ATOM 1499 NH1 ARG A 96 2.162 -13.107 16.386 1.00 20.51 N ATOM 1500 NH2 ARG A 96 1.020 -14.969 15.661 1.00 41.42 N ATOM 0 H ARG A 96 3.163 -10.563 10.608 1.00 65.04 H new ATOM 0 HA ARG A 96 3.787 -13.242 9.826 1.00 64.42 H new ATOM 0 HB2 ARG A 96 2.177 -13.762 11.750 1.00 71.43 H new ATOM 0 HB3 ARG A 96 3.669 -12.924 12.128 1.00 71.43 H new ATOM 0 HG2 ARG A 96 2.339 -10.742 12.077 1.00 64.24 H new ATOM 0 HG3 ARG A 96 0.885 -11.714 11.954 1.00 64.24 H new ATOM 0 HD2 ARG A 96 2.929 -11.802 14.210 1.00 3.22 H new ATOM 0 HD3 ARG A 96 1.316 -11.121 14.298 1.00 3.22 H new ATOM 0 HE ARG A 96 0.865 -13.742 13.513 1.00 34.24 H new ATOM 0 HH11 ARG A 96 2.543 -12.178 16.205 1.00 20.51 H new ATOM 0 HH12 ARG A 96 2.269 -13.532 17.307 1.00 20.51 H new ATOM 0 HH21 ARG A 96 0.524 -15.471 14.924 1.00 41.42 H new ATOM 0 HH22 ARG A 96 1.129 -15.392 16.583 1.00 41.42 H new ATOM 1514 N THR A 97 0.554 -12.769 9.701 1.00 64.24 N ATOM 1515 CA THR A 97 -0.644 -13.104 8.942 1.00 70.31 C ATOM 1516 C THR A 97 -1.784 -12.205 9.389 1.00 15.54 C ATOM 1517 O THR A 97 -2.063 -12.106 10.581 1.00 72.32 O ATOM 1518 CB THR A 97 -1.045 -14.590 9.131 1.00 50.53 C ATOM 1519 OG1 THR A 97 0.079 -15.433 8.833 1.00 22.05 O ATOM 1520 CG2 THR A 97 -2.203 -14.960 8.213 1.00 55.01 C ATOM 0 H THR A 97 0.368 -12.331 10.603 1.00 64.24 H new ATOM 0 HA THR A 97 -0.433 -12.950 7.884 1.00 70.31 H new ATOM 0 HB THR A 97 -1.357 -14.733 10.166 1.00 50.53 H new ATOM 0 HG1 THR A 97 -0.175 -16.372 8.954 1.00 22.05 H new ATOM 0 HG21 THR A 97 -2.466 -16.007 8.364 1.00 55.01 H new ATOM 0 HG22 THR A 97 -3.064 -14.332 8.443 1.00 55.01 H new ATOM 0 HG23 THR A 97 -1.908 -14.806 7.175 1.00 55.01 H new ATOM 1528 N GLY A 98 -2.421 -11.529 8.437 1.00 23.31 N ATOM 1529 CA GLY A 98 -3.472 -10.592 8.780 1.00 11.53 C ATOM 1530 C GLY A 98 -2.903 -9.420 9.538 1.00 34.20 C ATOM 1531 O GLY A 98 -3.578 -8.800 10.359 1.00 4.12 O ATOM 0 H GLY A 98 -2.228 -11.614 7.439 1.00 23.31 H new ATOM 0 HA2 GLY A 98 -3.966 -10.242 7.874 1.00 11.53 H new ATOM 0 HA3 GLY A 98 -4.230 -11.091 9.384 1.00 11.53 H new ATOM 1535 N GLU A 99 -1.646 -9.128 9.262 1.00 12.11 N ATOM 1536 CA GLU A 99 -0.934 -8.076 9.940 1.00 74.35 C ATOM 1537 C GLU A 99 -0.666 -6.924 8.984 1.00 0.11 C ATOM 1538 O GLU A 99 -0.422 -7.143 7.791 1.00 70.21 O ATOM 1539 CB GLU A 99 0.376 -8.629 10.508 1.00 44.15 C ATOM 1540 CG GLU A 99 1.072 -7.695 11.471 1.00 32.34 C ATOM 1541 CD GLU A 99 0.151 -7.223 12.567 1.00 54.01 C ATOM 1542 OE1 GLU A 99 -0.216 -8.038 13.435 1.00 60.52 O ATOM 1543 OE2 GLU A 99 -0.220 -6.036 12.554 1.00 30.34 O ATOM 0 H GLU A 99 -1.094 -9.618 8.559 1.00 12.11 H new ATOM 0 HA GLU A 99 -1.541 -7.698 10.763 1.00 74.35 H new ATOM 0 HB2 GLU A 99 0.170 -9.571 11.016 1.00 44.15 H new ATOM 0 HB3 GLU A 99 1.052 -8.853 9.683 1.00 44.15 H new ATOM 0 HG2 GLU A 99 1.930 -8.203 11.912 1.00 32.34 H new ATOM 0 HG3 GLU A 99 1.457 -6.834 10.926 1.00 32.34 H new ATOM 1550 N MET A 100 -0.714 -5.710 9.503 1.00 71.21 N ATOM 1551 CA MET A 100 -0.516 -4.519 8.696 1.00 33.02 C ATOM 1552 C MET A 100 0.664 -3.712 9.217 1.00 53.54 C ATOM 1553 O MET A 100 0.825 -3.542 10.430 1.00 72.22 O ATOM 1554 CB MET A 100 -1.786 -3.662 8.706 1.00 52.32 C ATOM 1555 CG MET A 100 -1.707 -2.418 7.832 1.00 32.20 C ATOM 1556 SD MET A 100 -3.217 -1.432 7.884 1.00 13.23 S ATOM 1557 CE MET A 100 -4.413 -2.605 7.246 1.00 65.23 C ATOM 0 H MET A 100 -0.890 -5.522 10.490 1.00 71.21 H new ATOM 0 HA MET A 100 -0.301 -4.824 7.672 1.00 33.02 H new ATOM 0 HB2 MET A 100 -2.625 -4.273 8.374 1.00 52.32 H new ATOM 0 HB3 MET A 100 -1.998 -3.359 9.731 1.00 52.32 H new ATOM 0 HG2 MET A 100 -0.866 -1.804 8.156 1.00 32.20 H new ATOM 0 HG3 MET A 100 -1.507 -2.715 6.802 1.00 32.20 H new ATOM 0 HE1 MET A 100 -5.096 -2.095 6.566 1.00 65.23 H new ATOM 0 HE2 MET A 100 -3.893 -3.399 6.710 1.00 65.23 H new ATOM 0 HE3 MET A 100 -4.978 -3.035 8.073 1.00 65.23 H new ATOM 1567 N SER A 101 1.486 -3.220 8.309 1.00 13.32 N ATOM 1568 CA SER A 101 2.646 -2.436 8.681 1.00 1.23 C ATOM 1569 C SER A 101 2.239 -1.010 9.069 1.00 14.11 C ATOM 1570 O SER A 101 2.322 -0.622 10.239 1.00 63.33 O ATOM 1571 CB SER A 101 3.653 -2.416 7.528 1.00 50.34 C ATOM 1572 OG SER A 101 3.036 -1.981 6.322 1.00 62.23 O ATOM 0 H SER A 101 1.370 -3.351 7.304 1.00 13.32 H new ATOM 0 HA SER A 101 3.115 -2.898 9.550 1.00 1.23 H new ATOM 0 HB2 SER A 101 4.483 -1.754 7.776 1.00 50.34 H new ATOM 0 HB3 SER A 101 4.071 -3.413 7.388 1.00 50.34 H new ATOM 0 HG SER A 101 3.723 -1.670 5.697 1.00 62.23 H new ATOM 1578 N GLY A 102 1.786 -0.253 8.089 1.00 60.11 N ATOM 1579 CA GLY A 102 1.381 1.109 8.318 1.00 74.31 C ATOM 1580 C GLY A 102 1.790 1.999 7.169 1.00 24.51 C ATOM 1581 O GLY A 102 1.895 1.526 6.037 1.00 1.43 O ATOM 0 H GLY A 102 1.691 -0.566 7.123 1.00 60.11 H new ATOM 0 HA2 GLY A 102 0.300 1.153 8.449 1.00 74.31 H new ATOM 0 HA3 GLY A 102 1.829 1.474 9.242 1.00 74.31 H new ATOM 1585 N PRO A 103 2.026 3.293 7.424 1.00 60.53 N ATOM 1586 CA PRO A 103 2.448 4.237 6.393 1.00 51.14 C ATOM 1587 C PRO A 103 3.901 4.015 5.972 1.00 72.20 C ATOM 1588 O PRO A 103 4.834 4.435 6.665 1.00 24.31 O ATOM 1589 CB PRO A 103 2.298 5.617 7.066 1.00 73.43 C ATOM 1590 CG PRO A 103 1.585 5.360 8.357 1.00 20.02 C ATOM 1591 CD PRO A 103 1.888 3.942 8.727 1.00 0.22 C ATOM 0 HA PRO A 103 1.856 4.129 5.484 1.00 51.14 H new ATOM 0 HB2 PRO A 103 3.271 6.076 7.240 1.00 73.43 H new ATOM 0 HB3 PRO A 103 1.731 6.301 6.435 1.00 73.43 H new ATOM 0 HG2 PRO A 103 1.925 6.046 9.133 1.00 20.02 H new ATOM 0 HG3 PRO A 103 0.511 5.512 8.246 1.00 20.02 H new ATOM 0 HD2 PRO A 103 2.801 3.864 9.317 1.00 0.22 H new ATOM 0 HD3 PRO A 103 1.087 3.498 9.318 1.00 0.22 H new ATOM 1599 N VAL A 104 4.089 3.336 4.857 1.00 41.32 N ATOM 1600 CA VAL A 104 5.417 3.071 4.345 1.00 1.52 C ATOM 1601 C VAL A 104 5.791 4.090 3.276 1.00 72.43 C ATOM 1602 O VAL A 104 5.335 4.004 2.128 1.00 42.52 O ATOM 1603 CB VAL A 104 5.526 1.642 3.755 1.00 54.11 C ATOM 1604 CG1 VAL A 104 6.943 1.358 3.273 1.00 15.44 C ATOM 1605 CG2 VAL A 104 5.092 0.608 4.782 1.00 54.22 C ATOM 0 H VAL A 104 3.333 2.956 4.287 1.00 41.32 H new ATOM 0 HA VAL A 104 6.109 3.152 5.183 1.00 1.52 H new ATOM 0 HB VAL A 104 4.859 1.577 2.896 1.00 54.11 H new ATOM 0 HG11 VAL A 104 6.993 0.349 2.864 1.00 15.44 H new ATOM 0 HG12 VAL A 104 7.215 2.077 2.500 1.00 15.44 H new ATOM 0 HG13 VAL A 104 7.636 1.445 4.110 1.00 15.44 H new ATOM 0 HG21 VAL A 104 5.175 -0.390 4.351 1.00 54.22 H new ATOM 0 HG22 VAL A 104 5.732 0.678 5.661 1.00 54.22 H new ATOM 0 HG23 VAL A 104 4.057 0.794 5.071 1.00 54.22 H new ATOM 1615 N PHE A 105 6.593 5.068 3.663 1.00 14.05 N ATOM 1616 CA PHE A 105 7.052 6.094 2.738 1.00 13.22 C ATOM 1617 C PHE A 105 7.962 5.468 1.692 1.00 74.44 C ATOM 1618 O PHE A 105 9.020 4.923 2.024 1.00 42.34 O ATOM 1619 CB PHE A 105 7.799 7.202 3.490 1.00 73.21 C ATOM 1620 CG PHE A 105 6.980 7.885 4.554 1.00 65.12 C ATOM 1621 CD1 PHE A 105 6.209 8.995 4.250 1.00 73.53 C ATOM 1622 CD2 PHE A 105 6.985 7.417 5.860 1.00 4.44 C ATOM 1623 CE1 PHE A 105 5.460 9.625 5.225 1.00 21.21 C ATOM 1624 CE2 PHE A 105 6.238 8.043 6.839 1.00 70.24 C ATOM 1625 CZ PHE A 105 5.475 9.149 6.520 1.00 34.11 C ATOM 0 H PHE A 105 6.942 5.174 4.616 1.00 14.05 H new ATOM 0 HA PHE A 105 6.186 6.537 2.245 1.00 13.22 H new ATOM 0 HB2 PHE A 105 8.690 6.776 3.951 1.00 73.21 H new ATOM 0 HB3 PHE A 105 8.137 7.949 2.772 1.00 73.21 H new ATOM 0 HD1 PHE A 105 6.193 9.373 3.238 1.00 73.53 H new ATOM 0 HD2 PHE A 105 7.580 6.553 6.114 1.00 4.44 H new ATOM 0 HE1 PHE A 105 4.863 10.489 4.974 1.00 21.21 H new ATOM 0 HE2 PHE A 105 6.251 7.668 7.852 1.00 70.24 H new ATOM 0 HZ PHE A 105 4.891 9.641 7.283 1.00 34.11 H new ATOM 1635 N THR A 106 7.546 5.526 0.443 1.00 52.50 N ATOM 1636 CA THR A 106 8.292 4.918 -0.637 1.00 43.03 C ATOM 1637 C THR A 106 8.376 5.841 -1.861 1.00 44.34 C ATOM 1638 O THR A 106 8.112 7.042 -1.762 1.00 1.02 O ATOM 1639 CB THR A 106 7.667 3.563 -1.022 1.00 30.13 C ATOM 1640 OG1 THR A 106 6.312 3.514 -0.557 1.00 51.05 O ATOM 1641 CG2 THR A 106 8.455 2.410 -0.412 1.00 70.41 C ATOM 0 H THR A 106 6.687 5.993 0.151 1.00 52.50 H new ATOM 0 HA THR A 106 9.310 4.751 -0.284 1.00 43.03 H new ATOM 0 HB THR A 106 7.692 3.464 -2.107 1.00 30.13 H new ATOM 0 HG1 THR A 106 5.751 3.073 -1.229 1.00 51.05 H new ATOM 0 HG21 THR A 106 7.995 1.464 -0.697 1.00 70.41 H new ATOM 0 HG22 THR A 106 9.482 2.439 -0.776 1.00 70.41 H new ATOM 0 HG23 THR A 106 8.452 2.502 0.674 1.00 70.41 H new ATOM 1649 N ASP A 107 8.747 5.266 -3.003 1.00 24.30 N ATOM 1650 CA ASP A 107 8.948 6.018 -4.250 1.00 42.24 C ATOM 1651 C ASP A 107 7.722 6.828 -4.678 1.00 70.45 C ATOM 1652 O ASP A 107 7.741 8.058 -4.646 1.00 74.34 O ATOM 1653 CB ASP A 107 9.354 5.067 -5.381 1.00 75.22 C ATOM 1654 CG ASP A 107 9.332 5.730 -6.743 1.00 4.10 C ATOM 1655 OD1 ASP A 107 10.344 6.349 -7.127 1.00 73.45 O ATOM 1656 OD2 ASP A 107 8.305 5.626 -7.443 1.00 10.52 O ATOM 0 H ASP A 107 8.918 4.265 -3.095 1.00 24.30 H new ATOM 0 HA ASP A 107 9.746 6.733 -4.049 1.00 42.24 H new ATOM 0 HB2 ASP A 107 10.355 4.684 -5.185 1.00 75.22 H new ATOM 0 HB3 ASP A 107 8.680 4.210 -5.388 1.00 75.22 H new ATOM 1661 N SER A 108 6.663 6.139 -5.059 1.00 4.12 N ATOM 1662 CA SER A 108 5.484 6.793 -5.607 1.00 44.14 C ATOM 1663 C SER A 108 4.513 7.277 -4.526 1.00 51.14 C ATOM 1664 O SER A 108 3.353 7.573 -4.812 1.00 65.13 O ATOM 1665 CB SER A 108 4.785 5.853 -6.588 1.00 74.41 C ATOM 1666 OG SER A 108 5.652 5.518 -7.669 1.00 31.34 O ATOM 0 H SER A 108 6.593 5.123 -5.000 1.00 4.12 H new ATOM 0 HA SER A 108 5.820 7.687 -6.133 1.00 44.14 H new ATOM 0 HB2 SER A 108 4.473 4.946 -6.071 1.00 74.41 H new ATOM 0 HB3 SER A 108 3.882 6.327 -6.973 1.00 74.41 H new ATOM 0 HG SER A 108 6.535 5.913 -7.514 1.00 31.34 H new ATOM 1672 N GLY A 109 4.985 7.376 -3.302 1.00 42.42 N ATOM 1673 CA GLY A 109 4.139 7.857 -2.243 1.00 30.03 C ATOM 1674 C GLY A 109 4.195 6.988 -1.021 1.00 13.02 C ATOM 1675 O GLY A 109 5.216 6.370 -0.737 1.00 25.50 O ATOM 0 H GLY A 109 5.935 7.133 -3.023 1.00 42.42 H new ATOM 0 HA2 GLY A 109 4.437 8.871 -1.977 1.00 30.03 H new ATOM 0 HA3 GLY A 109 3.110 7.910 -2.600 1.00 30.03 H new ATOM 1679 N ILE A 110 3.102 6.935 -0.297 1.00 13.10 N ATOM 1680 CA ILE A 110 3.033 6.140 0.906 1.00 5.15 C ATOM 1681 C ILE A 110 2.232 4.873 0.648 1.00 1.43 C ATOM 1682 O ILE A 110 1.075 4.936 0.224 1.00 13.21 O ATOM 1683 CB ILE A 110 2.387 6.930 2.067 1.00 55.32 C ATOM 1684 CG1 ILE A 110 3.080 8.286 2.241 1.00 75.41 C ATOM 1685 CG2 ILE A 110 2.466 6.126 3.356 1.00 23.04 C ATOM 1686 CD1 ILE A 110 2.460 9.158 3.313 1.00 23.53 C ATOM 0 H ILE A 110 2.243 7.437 -0.522 1.00 13.10 H new ATOM 0 HA ILE A 110 4.052 5.880 1.192 1.00 5.15 H new ATOM 0 HB ILE A 110 1.338 7.106 1.828 1.00 55.32 H new ATOM 0 HG12 ILE A 110 4.129 8.118 2.484 1.00 75.41 H new ATOM 0 HG13 ILE A 110 3.055 8.821 1.292 1.00 75.41 H new ATOM 0 HG21 ILE A 110 2.008 6.692 4.167 1.00 23.04 H new ATOM 0 HG22 ILE A 110 1.937 5.182 3.229 1.00 23.04 H new ATOM 0 HG23 ILE A 110 3.510 5.927 3.597 1.00 23.04 H new ATOM 0 HD11 ILE A 110 3.005 10.100 3.376 1.00 23.53 H new ATOM 0 HD12 ILE A 110 1.418 9.358 3.062 1.00 23.53 H new ATOM 0 HD13 ILE A 110 2.510 8.645 4.273 1.00 23.53 H new ATOM 1698 N HIS A 111 2.853 3.731 0.881 1.00 22.10 N ATOM 1699 CA HIS A 111 2.195 2.450 0.680 1.00 1.41 C ATOM 1700 C HIS A 111 1.773 1.841 2.005 1.00 61.03 C ATOM 1701 O HIS A 111 2.411 2.060 3.029 1.00 1.52 O ATOM 1702 CB HIS A 111 3.112 1.453 -0.051 1.00 64.10 C ATOM 1703 CG HIS A 111 3.251 1.669 -1.531 1.00 22.44 C ATOM 1704 ND1 HIS A 111 4.232 2.261 -2.252 1.00 24.32 N flip ATOM 1705 CD2 HIS A 111 2.334 1.206 -2.454 1.00 52.51 C flip ATOM 1706 CE1 HIS A 111 3.897 2.138 -3.574 1.00 41.23 C flip ATOM 1707 NE2 HIS A 111 2.752 1.498 -3.669 1.00 63.30 N flip ATOM 0 H HIS A 111 3.816 3.663 1.211 1.00 22.10 H new ATOM 0 HA HIS A 111 1.314 2.642 0.067 1.00 1.41 H new ATOM 0 HB2 HIS A 111 4.103 1.499 0.400 1.00 64.10 H new ATOM 0 HB3 HIS A 111 2.732 0.445 0.118 1.00 64.10 H new ATOM 0 HD2 HIS A 111 1.418 0.686 -2.217 1.00 52.51 H new ATOM 0 HE1 HIS A 111 4.479 2.507 -4.405 1.00 41.23 H new ATOM 0 HE2 HIS A 111 2.269 1.267 -4.537 1.00 63.30 H new ATOM 1716 N ILE A 112 0.688 1.097 1.975 1.00 51.24 N ATOM 1717 CA ILE A 112 0.228 0.354 3.136 1.00 21.31 C ATOM 1718 C ILE A 112 0.387 -1.124 2.842 1.00 64.42 C ATOM 1719 O ILE A 112 -0.041 -1.591 1.784 1.00 71.14 O ATOM 1720 CB ILE A 112 -1.258 0.638 3.464 1.00 3.01 C ATOM 1721 CG1 ILE A 112 -1.504 2.140 3.609 1.00 3.34 C ATOM 1722 CG2 ILE A 112 -1.667 -0.093 4.741 1.00 52.43 C ATOM 1723 CD1 ILE A 112 -2.949 2.494 3.903 1.00 44.05 C ATOM 0 H ILE A 112 0.099 0.988 1.149 1.00 51.24 H new ATOM 0 HA ILE A 112 0.821 0.663 3.997 1.00 21.31 H new ATOM 0 HB ILE A 112 -1.868 0.270 2.639 1.00 3.01 H new ATOM 0 HG12 ILE A 112 -0.874 2.527 4.410 1.00 3.34 H new ATOM 0 HG13 ILE A 112 -1.196 2.640 2.691 1.00 3.34 H new ATOM 0 HG21 ILE A 112 -2.714 0.115 4.960 1.00 52.43 H new ATOM 0 HG22 ILE A 112 -1.531 -1.166 4.605 1.00 52.43 H new ATOM 0 HG23 ILE A 112 -1.048 0.249 5.570 1.00 52.43 H new ATOM 0 HD11 ILE A 112 -3.048 3.576 3.993 1.00 44.05 H new ATOM 0 HD12 ILE A 112 -3.583 2.138 3.091 1.00 44.05 H new ATOM 0 HD13 ILE A 112 -3.256 2.023 4.837 1.00 44.05 H new ATOM 1735 N ILE A 113 1.010 -1.854 3.747 1.00 75.12 N ATOM 1736 CA ILE A 113 1.249 -3.269 3.528 1.00 11.05 C ATOM 1737 C ILE A 113 0.386 -4.120 4.443 1.00 32.43 C ATOM 1738 O ILE A 113 0.360 -3.913 5.661 1.00 22.25 O ATOM 1739 CB ILE A 113 2.725 -3.643 3.775 1.00 23.20 C ATOM 1740 CG1 ILE A 113 3.658 -2.628 3.122 1.00 23.02 C ATOM 1741 CG2 ILE A 113 3.008 -5.040 3.239 1.00 33.00 C ATOM 1742 CD1 ILE A 113 5.115 -2.840 3.465 1.00 53.50 C ATOM 0 H ILE A 113 1.358 -1.494 4.636 1.00 75.12 H new ATOM 0 HA ILE A 113 0.994 -3.465 2.487 1.00 11.05 H new ATOM 0 HB ILE A 113 2.907 -3.632 4.850 1.00 23.20 H new ATOM 0 HG12 ILE A 113 3.537 -2.678 2.040 1.00 23.02 H new ATOM 0 HG13 ILE A 113 3.363 -1.625 3.429 1.00 23.02 H new ATOM 0 HG21 ILE A 113 4.053 -5.294 3.419 1.00 33.00 H new ATOM 0 HG22 ILE A 113 2.367 -5.761 3.746 1.00 33.00 H new ATOM 0 HG23 ILE A 113 2.807 -5.066 2.168 1.00 33.00 H new ATOM 0 HD11 ILE A 113 5.720 -2.083 2.966 1.00 53.50 H new ATOM 0 HD12 ILE A 113 5.250 -2.760 4.544 1.00 53.50 H new ATOM 0 HD13 ILE A 113 5.427 -3.830 3.133 1.00 53.50 H new ATOM 1754 N LEU A 114 -0.316 -5.063 3.856 1.00 33.45 N ATOM 1755 CA LEU A 114 -1.114 -6.009 4.605 1.00 64.21 C ATOM 1756 C LEU A 114 -0.860 -7.400 4.050 1.00 22.22 C ATOM 1757 O LEU A 114 -0.871 -7.592 2.839 1.00 73.01 O ATOM 1758 CB LEU A 114 -2.604 -5.652 4.479 1.00 20.03 C ATOM 1759 CG LEU A 114 -3.594 -6.603 5.164 1.00 45.24 C ATOM 1760 CD1 LEU A 114 -3.426 -6.569 6.672 1.00 53.42 C ATOM 1761 CD2 LEU A 114 -5.020 -6.251 4.779 1.00 20.43 C ATOM 0 H LEU A 114 -0.350 -5.196 2.845 1.00 33.45 H new ATOM 0 HA LEU A 114 -0.840 -5.977 5.660 1.00 64.21 H new ATOM 0 HB2 LEU A 114 -2.752 -4.653 4.888 1.00 20.03 H new ATOM 0 HB3 LEU A 114 -2.855 -5.603 3.419 1.00 20.03 H new ATOM 0 HG LEU A 114 -3.382 -7.616 4.824 1.00 45.24 H new ATOM 0 HD11 LEU A 114 -4.140 -7.252 7.133 1.00 53.42 H new ATOM 0 HD12 LEU A 114 -2.412 -6.873 6.932 1.00 53.42 H new ATOM 0 HD13 LEU A 114 -3.605 -5.557 7.035 1.00 53.42 H new ATOM 0 HD21 LEU A 114 -5.710 -6.935 5.273 1.00 20.43 H new ATOM 0 HD22 LEU A 114 -5.239 -5.229 5.088 1.00 20.43 H new ATOM 0 HD23 LEU A 114 -5.137 -6.336 3.699 1.00 20.43 H new ATOM 1773 N ARG A 115 -0.647 -8.367 4.919 1.00 60.41 N ATOM 1774 CA ARG A 115 -0.382 -9.721 4.462 1.00 44.32 C ATOM 1775 C ARG A 115 -1.596 -10.599 4.649 1.00 1.01 C ATOM 1776 O ARG A 115 -2.025 -10.848 5.777 1.00 21.24 O ATOM 1777 CB ARG A 115 0.830 -10.330 5.171 1.00 31.32 C ATOM 1778 CG ARG A 115 1.159 -11.733 4.680 1.00 31.23 C ATOM 1779 CD ARG A 115 2.391 -12.300 5.351 1.00 4.13 C ATOM 1780 NE ARG A 115 2.654 -13.671 4.913 1.00 43.02 N ATOM 1781 CZ ARG A 115 3.603 -14.459 5.419 1.00 3.03 C ATOM 1782 NH1 ARG A 115 4.375 -14.031 6.418 1.00 21.13 N ATOM 1783 NH2 ARG A 115 3.765 -15.681 4.938 1.00 44.12 N ATOM 0 H ARG A 115 -0.651 -8.247 5.932 1.00 60.41 H new ATOM 0 HA ARG A 115 -0.152 -9.665 3.398 1.00 44.32 H new ATOM 0 HB2 ARG A 115 1.695 -9.685 5.019 1.00 31.32 H new ATOM 0 HB3 ARG A 115 0.640 -10.361 6.244 1.00 31.32 H new ATOM 0 HG2 ARG A 115 0.310 -12.390 4.868 1.00 31.23 H new ATOM 0 HG3 ARG A 115 1.312 -11.712 3.601 1.00 31.23 H new ATOM 0 HD2 ARG A 115 3.253 -11.672 5.124 1.00 4.13 H new ATOM 0 HD3 ARG A 115 2.259 -12.281 6.433 1.00 4.13 H new ATOM 0 HE ARG A 115 2.070 -14.051 4.168 1.00 43.02 H new ATOM 0 HH11 ARG A 115 4.242 -13.095 6.800 1.00 21.13 H new ATOM 0 HH12 ARG A 115 5.099 -14.640 6.800 1.00 21.13 H new ATOM 0 HH21 ARG A 115 3.165 -16.016 4.184 1.00 44.12 H new ATOM 0 HH22 ARG A 115 4.489 -16.288 5.321 1.00 44.12 H new ATOM 1797 N THR A 116 -2.139 -11.068 3.549 1.00 24.51 N ATOM 1798 CA THR A 116 -3.320 -11.897 3.575 1.00 53.12 C ATOM 1799 C THR A 116 -2.967 -13.381 3.679 1.00 74.13 C ATOM 1800 O THR A 116 -3.758 -14.180 4.181 1.00 11.02 O ATOM 1801 CB THR A 116 -4.176 -11.654 2.319 1.00 25.12 C ATOM 1802 OG1 THR A 116 -3.326 -11.603 1.161 1.00 44.02 O ATOM 1803 CG2 THR A 116 -4.947 -10.347 2.441 1.00 34.20 C ATOM 0 H THR A 116 -1.775 -10.886 2.614 1.00 24.51 H new ATOM 0 HA THR A 116 -3.891 -11.621 4.462 1.00 53.12 H new ATOM 0 HB THR A 116 -4.889 -12.473 2.218 1.00 25.12 H new ATOM 0 HG1 THR A 116 -3.871 -11.450 0.361 1.00 44.02 H new ATOM 0 HG21 THR A 116 -5.546 -10.193 1.544 1.00 34.20 H new ATOM 0 HG22 THR A 116 -5.602 -10.391 3.311 1.00 34.20 H new ATOM 0 HG23 THR A 116 -4.246 -9.520 2.556 1.00 34.20 H new ATOM 1811 N GLU A 117 -1.772 -13.744 3.227 1.00 51.14 N ATOM 1812 CA GLU A 117 -1.355 -15.133 3.238 1.00 22.32 C ATOM 1813 C GLU A 117 0.138 -15.258 3.530 1.00 4.15 C ATOM 1814 O GLU A 117 0.949 -14.633 2.806 1.00 0.00 O ATOM 1815 CB GLU A 117 -1.711 -15.797 1.907 1.00 71.54 C ATOM 1816 CG GLU A 117 -1.428 -17.285 1.854 1.00 24.52 C ATOM 1817 CD GLU A 117 -2.051 -17.938 0.644 1.00 2.13 C ATOM 1818 OE1 GLU A 117 -3.217 -18.371 0.740 1.00 75.44 O ATOM 1819 OE2 GLU A 117 -1.389 -18.009 -0.412 1.00 51.33 O ATOM 1820 OXT GLU A 117 0.501 -15.989 4.478 1.00 0.00 O ATOM 0 H GLU A 117 -1.080 -13.096 2.851 1.00 51.14 H new ATOM 0 HA GLU A 117 -1.888 -15.647 4.038 1.00 22.32 H new ATOM 0 HB2 GLU A 117 -2.770 -15.633 1.705 1.00 71.54 H new ATOM 0 HB3 GLU A 117 -1.155 -15.305 1.109 1.00 71.54 H new ATOM 0 HG2 GLU A 117 -0.350 -17.448 1.839 1.00 24.52 H new ATOM 0 HG3 GLU A 117 -1.810 -17.759 2.758 1.00 24.52 H new