USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 861 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 SER OG : rot 60:sc= 0.591 USER MOD Set 1.2: A 116 THR OG1 : rot 170:sc= 1.92 USER MOD Set 2.1: A 85 GLN : amide:sc=-0.00191 K(o=-3.6,f=-2.6) USER MOD Set 2.2: A 106 THR OG1 : rot -150:sc= -0.229 USER MOD Set 2.3: A 111 HIS : no HD1:sc= -3.38! C(o=-3.6!,f=-1.8!) USER MOD Set 3.1: A 17 LYS NZ :NH3+ 145:sc= 1.07 (180deg=0) USER MOD Set 3.2: A 108 SER OG : rot 110:sc= 0.86 USER MOD Set 4.1: A 13 HIS : no HE2:sc= -2.15! C(o=1.6!,f=-7.5!) USER MOD Set 4.2: A 67 CYS SG : rot -121:sc= 1.39 USER MOD Set 4.3: A 69 SER OG : rot 136:sc= 2.35 USER MOD Single : A 11 CYS SG : rot 127:sc= -4.44! USER MOD Single : A 18 HIS : no HE2:sc= -2.43! C(o=-2.4!,f=-8.6!) USER MOD Single : A 19 SER OG : rot 76:sc= 0.0594 USER MOD Single : A 20 GLN : amide:sc= -0.1 K(o=-0.1,f=-0.69) USER MOD Single : A 21 SER OG : rot -102:sc= 1.24 USER MOD Single : A 25 SER OG : rot 86:sc= 1.26 USER MOD Single : A 26 SER OG : rot 34:sc= 0.224 USER MOD Single : A 29 GLN : amide:sc= 1.25 K(o=1.3,f=-0.11) USER MOD Single : A 31 LYS NZ :NH3+ -166:sc= -0.0162 (180deg=-0.206) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.305 USER MOD Single : A 36 LYS NZ :NH3+ -120:sc= 0.28 (180deg=-0.486) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 46 TYR OH : rot -150:sc= -1.12 USER MOD Single : A 48 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.13) USER MOD Single : A 49 LYS NZ :NH3+ 158:sc= 1.09 (180deg=0.832) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 97:sc= -1.41! USER MOD Single : A 63 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.02) USER MOD Single : A 65 SER OG : rot 19:sc= 2 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0.549 USER MOD Single : A 83 GLN : amide:sc= -0.0473 X(o=-0.047,f=-0.12) USER MOD Single : A 84 MET CE :methyl -178:sc= -0.621 (180deg=-0.638) USER MOD Single : A 86 LYS NZ :NH3+ 172:sc=-0.00578 (180deg=-0.105) USER MOD Single : A 92 SER OG : rot 84:sc= 0.622 USER MOD Single : A 97 THR OG1 : rot -46:sc= 1.28 USER MOD Single : A 100 MET CE :methyl 171:sc= -0.365 (180deg=-0.584) USER MOD Single : A 101 SER OG : rot 170:sc= -0.657 USER MOD ----------------------------------------------------------------- ATOM 95 N ARG A 8 -2.951 -17.670 3.902 1.00 41.13 N ATOM 96 CA ARG A 8 -2.223 -17.092 2.786 1.00 53.40 C ATOM 97 C ARG A 8 -3.157 -16.560 1.715 1.00 64.02 C ATOM 98 O ARG A 8 -3.999 -17.291 1.185 1.00 35.14 O ATOM 99 CB ARG A 8 -1.269 -18.109 2.163 1.00 11.43 C ATOM 100 CG ARG A 8 0.008 -18.322 2.944 1.00 73.54 C ATOM 101 CD ARG A 8 0.977 -19.191 2.172 1.00 42.11 C ATOM 102 NE ARG A 8 2.305 -19.188 2.774 1.00 33.32 N ATOM 103 CZ ARG A 8 3.433 -19.405 2.100 1.00 22.00 C ATOM 104 NH1 ARG A 8 3.392 -19.675 0.797 1.00 61.31 N ATOM 105 NH2 ARG A 8 4.601 -19.356 2.728 1.00 11.25 N ATOM 0 HA ARG A 8 -1.648 -16.259 3.190 1.00 53.40 H new ATOM 0 HB2 ARG A 8 -1.786 -19.064 2.067 1.00 11.43 H new ATOM 0 HB3 ARG A 8 -1.015 -17.781 1.155 1.00 11.43 H new ATOM 0 HG2 ARG A 8 0.471 -17.359 3.161 1.00 73.54 H new ATOM 0 HG3 ARG A 8 -0.221 -18.789 3.902 1.00 73.54 H new ATOM 0 HD2 ARG A 8 0.598 -20.212 2.133 1.00 42.11 H new ATOM 0 HD3 ARG A 8 1.043 -18.836 1.143 1.00 42.11 H new ATOM 0 HE ARG A 8 2.375 -19.008 3.776 1.00 33.32 H new ATOM 0 HH11 ARG A 8 2.495 -19.716 0.313 1.00 61.31 H new ATOM 0 HH12 ARG A 8 4.257 -19.841 0.283 1.00 61.31 H new ATOM 0 HH21 ARG A 8 4.635 -19.152 3.727 1.00 11.25 H new ATOM 0 HH22 ARG A 8 5.465 -19.522 2.212 1.00 11.25 H new ATOM 119 N VAL A 9 -3.000 -15.290 1.405 1.00 71.42 N ATOM 120 CA VAL A 9 -3.760 -14.637 0.352 1.00 24.12 C ATOM 121 C VAL A 9 -2.821 -13.765 -0.463 1.00 74.02 C ATOM 122 O VAL A 9 -1.712 -13.457 -0.013 1.00 35.40 O ATOM 123 CB VAL A 9 -4.919 -13.761 0.910 1.00 73.51 C ATOM 124 CG1 VAL A 9 -5.958 -14.617 1.620 1.00 61.01 C ATOM 125 CG2 VAL A 9 -4.385 -12.680 1.843 1.00 0.40 C ATOM 0 H VAL A 9 -2.338 -14.675 1.878 1.00 71.42 H new ATOM 0 HA VAL A 9 -4.208 -15.415 -0.266 1.00 24.12 H new ATOM 0 HB VAL A 9 -5.403 -13.272 0.065 1.00 73.51 H new ATOM 0 HG11 VAL A 9 -6.756 -13.980 2.000 1.00 61.01 H new ATOM 0 HG12 VAL A 9 -6.374 -15.341 0.919 1.00 61.01 H new ATOM 0 HG13 VAL A 9 -5.489 -15.145 2.450 1.00 61.01 H new ATOM 0 HG21 VAL A 9 -5.215 -12.082 2.219 1.00 0.40 H new ATOM 0 HG22 VAL A 9 -3.865 -13.146 2.680 1.00 0.40 H new ATOM 0 HG23 VAL A 9 -3.693 -12.038 1.298 1.00 0.40 H new ATOM 135 N ARG A 10 -3.236 -13.384 -1.652 1.00 15.42 N ATOM 136 CA ARG A 10 -2.411 -12.540 -2.493 1.00 5.33 C ATOM 137 C ARG A 10 -2.992 -11.145 -2.571 1.00 14.23 C ATOM 138 O ARG A 10 -4.159 -10.968 -2.926 1.00 34.13 O ATOM 139 CB ARG A 10 -2.284 -13.133 -3.887 1.00 53.45 C ATOM 140 CG ARG A 10 -1.379 -12.339 -4.808 1.00 30.01 C ATOM 141 CD ARG A 10 -1.235 -13.019 -6.148 1.00 34.41 C ATOM 142 NE ARG A 10 -0.426 -12.244 -7.073 1.00 14.54 N ATOM 143 CZ ARG A 10 -0.396 -12.442 -8.387 1.00 61.32 C ATOM 144 NH1 ARG A 10 -1.132 -13.407 -8.938 1.00 21.03 N ATOM 145 NH2 ARG A 10 0.371 -11.677 -9.149 1.00 34.12 N ATOM 0 H ARG A 10 -4.135 -13.643 -2.058 1.00 15.42 H new ATOM 0 HA ARG A 10 -1.417 -12.482 -2.049 1.00 5.33 H new ATOM 0 HB2 ARG A 10 -1.902 -14.151 -3.806 1.00 53.45 H new ATOM 0 HB3 ARG A 10 -3.275 -13.200 -4.335 1.00 53.45 H new ATOM 0 HG2 ARG A 10 -1.785 -11.337 -4.947 1.00 30.01 H new ATOM 0 HG3 ARG A 10 -0.398 -12.224 -4.348 1.00 30.01 H new ATOM 0 HD2 ARG A 10 -0.784 -14.001 -6.008 1.00 34.41 H new ATOM 0 HD3 ARG A 10 -2.223 -13.181 -6.579 1.00 34.41 H new ATOM 0 HE ARG A 10 0.157 -11.500 -6.689 1.00 14.54 H new ATOM 0 HH11 ARG A 10 -1.721 -13.997 -8.351 1.00 21.03 H new ATOM 0 HH12 ARG A 10 -1.106 -13.555 -9.947 1.00 21.03 H new ATOM 0 HH21 ARG A 10 0.935 -10.940 -8.727 1.00 34.12 H new ATOM 0 HH22 ARG A 10 0.397 -11.825 -10.158 1.00 34.12 H new ATOM 159 N CYS A 11 -2.191 -10.155 -2.236 1.00 65.31 N ATOM 160 CA CYS A 11 -2.648 -8.781 -2.253 1.00 63.33 C ATOM 161 C CYS A 11 -1.565 -7.844 -2.769 1.00 65.25 C ATOM 162 O CYS A 11 -0.366 -8.089 -2.583 1.00 60.55 O ATOM 163 CB CYS A 11 -3.083 -8.347 -0.847 1.00 72.21 C ATOM 164 SG CYS A 11 -4.315 -9.429 -0.085 1.00 71.03 S ATOM 0 H CYS A 11 -1.220 -10.276 -1.949 1.00 65.31 H new ATOM 0 HA CYS A 11 -3.501 -8.723 -2.929 1.00 63.33 H new ATOM 0 HB2 CYS A 11 -2.204 -8.306 -0.203 1.00 72.21 H new ATOM 0 HB3 CYS A 11 -3.487 -7.336 -0.900 1.00 72.21 H new ATOM 0 HG CYS A 11 -3.897 -9.805 1.087 1.00 71.03 H new ATOM 170 N SER A 12 -1.996 -6.792 -3.431 1.00 14.34 N ATOM 171 CA SER A 12 -1.112 -5.758 -3.911 1.00 71.21 C ATOM 172 C SER A 12 -1.206 -4.575 -2.962 1.00 63.11 C ATOM 173 O SER A 12 -2.294 -4.262 -2.466 1.00 62.43 O ATOM 174 CB SER A 12 -1.512 -5.337 -5.328 1.00 21.35 C ATOM 175 OG SER A 12 -1.582 -6.459 -6.195 1.00 42.05 O ATOM 0 H SER A 12 -2.979 -6.631 -3.652 1.00 14.34 H new ATOM 0 HA SER A 12 -0.087 -6.127 -3.946 1.00 71.21 H new ATOM 0 HB2 SER A 12 -2.478 -4.833 -5.302 1.00 21.35 H new ATOM 0 HB3 SER A 12 -0.789 -4.619 -5.715 1.00 21.35 H new ATOM 0 HG SER A 12 -2.245 -7.095 -5.854 1.00 42.05 H new ATOM 181 N HIS A 13 -0.090 -3.927 -2.688 1.00 3.24 N ATOM 182 CA HIS A 13 -0.105 -2.822 -1.753 1.00 63.23 C ATOM 183 C HIS A 13 0.640 -1.604 -2.267 1.00 13.34 C ATOM 184 O HIS A 13 1.623 -1.717 -2.992 1.00 75.22 O ATOM 185 CB HIS A 13 0.436 -3.248 -0.360 1.00 63.45 C ATOM 186 CG HIS A 13 1.920 -3.573 -0.282 1.00 44.43 C ATOM 187 ND1 HIS A 13 2.557 -3.877 0.907 1.00 53.15 N ATOM 188 CD2 HIS A 13 2.886 -3.623 -1.232 1.00 54.14 C ATOM 189 CE1 HIS A 13 3.839 -4.089 0.678 1.00 53.11 C ATOM 190 NE2 HIS A 13 4.060 -3.942 -0.610 1.00 51.40 N ATOM 0 H HIS A 13 0.822 -4.142 -3.091 1.00 3.24 H new ATOM 0 HA HIS A 13 -1.150 -2.533 -1.644 1.00 63.23 H new ATOM 0 HB2 HIS A 13 0.224 -2.447 0.349 1.00 63.45 H new ATOM 0 HB3 HIS A 13 -0.123 -4.123 -0.029 1.00 63.45 H new ATOM 0 HD1 HIS A 13 2.106 -3.929 1.820 1.00 53.15 H new ATOM 0 HD2 HIS A 13 2.752 -3.443 -2.288 1.00 54.14 H new ATOM 0 HE1 HIS A 13 4.581 -4.340 1.422 1.00 53.11 H new ATOM 199 N LEU A 14 0.151 -0.450 -1.892 1.00 70.44 N ATOM 200 CA LEU A 14 0.802 0.800 -2.199 1.00 53.43 C ATOM 201 C LEU A 14 1.145 1.471 -0.881 1.00 41.03 C ATOM 202 O LEU A 14 0.297 1.566 0.006 1.00 4.14 O ATOM 203 CB LEU A 14 -0.121 1.689 -3.060 1.00 21.34 C ATOM 204 CG LEU A 14 0.541 2.876 -3.788 1.00 64.44 C ATOM 205 CD1 LEU A 14 -0.351 3.366 -4.917 1.00 55.24 C ATOM 206 CD2 LEU A 14 0.827 4.019 -2.826 1.00 44.35 C ATOM 0 H LEU A 14 -0.715 -0.349 -1.362 1.00 70.44 H new ATOM 0 HA LEU A 14 1.711 0.633 -2.777 1.00 53.43 H new ATOM 0 HB2 LEU A 14 -0.601 1.057 -3.807 1.00 21.34 H new ATOM 0 HB3 LEU A 14 -0.910 2.081 -2.419 1.00 21.34 H new ATOM 0 HG LEU A 14 1.488 2.529 -4.202 1.00 64.44 H new ATOM 0 HD11 LEU A 14 0.129 4.204 -5.422 1.00 55.24 H new ATOM 0 HD12 LEU A 14 -0.513 2.557 -5.630 1.00 55.24 H new ATOM 0 HD13 LEU A 14 -1.309 3.688 -4.510 1.00 55.24 H new ATOM 0 HD21 LEU A 14 1.294 4.842 -3.367 1.00 44.35 H new ATOM 0 HD22 LEU A 14 -0.107 4.361 -2.380 1.00 44.35 H new ATOM 0 HD23 LEU A 14 1.499 3.674 -2.040 1.00 44.35 H new ATOM 218 N LEU A 15 2.377 1.890 -0.734 1.00 72.11 N ATOM 219 CA LEU A 15 2.831 2.492 0.505 1.00 54.33 C ATOM 220 C LEU A 15 3.395 3.880 0.283 1.00 14.15 C ATOM 221 O LEU A 15 4.263 4.080 -0.561 1.00 43.31 O ATOM 222 CB LEU A 15 3.886 1.595 1.176 1.00 74.03 C ATOM 223 CG LEU A 15 4.725 2.244 2.294 1.00 32.24 C ATOM 224 CD1 LEU A 15 3.846 2.751 3.424 1.00 52.13 C ATOM 225 CD2 LEU A 15 5.751 1.261 2.823 1.00 63.43 C ATOM 0 H LEU A 15 3.091 1.827 -1.459 1.00 72.11 H new ATOM 0 HA LEU A 15 1.966 2.587 1.161 1.00 54.33 H new ATOM 0 HB2 LEU A 15 3.380 0.723 1.591 1.00 74.03 H new ATOM 0 HB3 LEU A 15 4.566 1.232 0.405 1.00 74.03 H new ATOM 0 HG LEU A 15 5.245 3.101 1.866 1.00 32.24 H new ATOM 0 HD11 LEU A 15 4.470 3.203 4.195 1.00 52.13 H new ATOM 0 HD12 LEU A 15 3.150 3.496 3.038 1.00 52.13 H new ATOM 0 HD13 LEU A 15 3.286 1.919 3.851 1.00 52.13 H new ATOM 0 HD21 LEU A 15 6.336 1.734 3.612 1.00 63.43 H new ATOM 0 HD22 LEU A 15 5.242 0.385 3.225 1.00 63.43 H new ATOM 0 HD23 LEU A 15 6.414 0.956 2.013 1.00 63.43 H new ATOM 237 N VAL A 16 2.882 4.827 1.036 1.00 21.52 N ATOM 238 CA VAL A 16 3.387 6.181 1.021 1.00 54.14 C ATOM 239 C VAL A 16 3.854 6.546 2.424 1.00 54.14 C ATOM 240 O VAL A 16 3.057 6.559 3.375 1.00 25.34 O ATOM 241 CB VAL A 16 2.318 7.197 0.538 1.00 4.42 C ATOM 242 CG1 VAL A 16 2.853 8.617 0.607 1.00 64.21 C ATOM 243 CG2 VAL A 16 1.881 6.875 -0.881 1.00 1.22 C ATOM 0 H VAL A 16 2.102 4.680 1.677 1.00 21.52 H new ATOM 0 HA VAL A 16 4.218 6.229 0.317 1.00 54.14 H new ATOM 0 HB VAL A 16 1.455 7.119 1.199 1.00 4.42 H new ATOM 0 HG11 VAL A 16 2.086 9.312 0.264 1.00 64.21 H new ATOM 0 HG12 VAL A 16 3.123 8.854 1.636 1.00 64.21 H new ATOM 0 HG13 VAL A 16 3.734 8.705 -0.029 1.00 64.21 H new ATOM 0 HG21 VAL A 16 1.131 7.597 -1.204 1.00 1.22 H new ATOM 0 HG22 VAL A 16 2.742 6.924 -1.547 1.00 1.22 H new ATOM 0 HG23 VAL A 16 1.455 5.872 -0.912 1.00 1.22 H new ATOM 253 N LYS A 17 5.141 6.802 2.561 1.00 3.34 N ATOM 254 CA LYS A 17 5.719 7.133 3.852 1.00 61.11 C ATOM 255 C LYS A 17 5.494 8.600 4.184 1.00 44.33 C ATOM 256 O LYS A 17 4.987 9.372 3.365 1.00 3.00 O ATOM 257 CB LYS A 17 7.223 6.831 3.876 1.00 40.41 C ATOM 258 CG LYS A 17 7.587 5.364 3.700 1.00 15.52 C ATOM 259 CD LYS A 17 9.098 5.194 3.572 1.00 15.45 C ATOM 260 CE LYS A 17 9.484 3.772 3.187 1.00 21.24 C ATOM 261 NZ LYS A 17 9.185 2.795 4.259 1.00 22.40 N ATOM 0 H LYS A 17 5.810 6.787 1.791 1.00 3.34 H new ATOM 0 HA LYS A 17 5.222 6.516 4.601 1.00 61.11 H new ATOM 0 HB2 LYS A 17 7.707 7.407 3.087 1.00 40.41 H new ATOM 0 HB3 LYS A 17 7.633 7.181 4.823 1.00 40.41 H new ATOM 0 HG2 LYS A 17 7.222 4.789 4.551 1.00 15.52 H new ATOM 0 HG3 LYS A 17 7.095 4.966 2.812 1.00 15.52 H new ATOM 0 HD2 LYS A 17 9.478 5.888 2.822 1.00 15.45 H new ATOM 0 HD3 LYS A 17 9.573 5.455 4.518 1.00 15.45 H new ATOM 0 HE2 LYS A 17 8.951 3.487 2.280 1.00 21.24 H new ATOM 0 HE3 LYS A 17 10.548 3.738 2.955 1.00 21.24 H new ATOM 0 HZ1 LYS A 17 8.889 1.893 3.834 1.00 22.40 H new ATOM 0 HZ2 LYS A 17 10.036 2.643 4.837 1.00 22.40 H new ATOM 0 HZ3 LYS A 17 8.419 3.162 4.860 1.00 22.40 H new ATOM 275 N HIS A 18 5.877 8.978 5.383 1.00 24.55 N ATOM 276 CA HIS A 18 5.748 10.347 5.834 1.00 2.43 C ATOM 277 C HIS A 18 7.014 10.804 6.528 1.00 33.54 C ATOM 278 O HIS A 18 7.722 9.996 7.131 1.00 1.43 O ATOM 279 CB HIS A 18 4.507 10.552 6.738 1.00 13.32 C ATOM 280 CG HIS A 18 4.122 9.375 7.597 1.00 24.33 C ATOM 281 ND1 HIS A 18 4.561 9.193 8.890 1.00 2.32 N ATOM 282 CD2 HIS A 18 3.301 8.330 7.338 1.00 13.22 C ATOM 283 CE1 HIS A 18 4.030 8.090 9.382 1.00 25.22 C ATOM 284 NE2 HIS A 18 3.262 7.549 8.463 1.00 3.34 N ATOM 0 H HIS A 18 6.286 8.347 6.072 1.00 24.55 H new ATOM 0 HA HIS A 18 5.598 10.967 4.950 1.00 2.43 H new ATOM 0 HB2 HIS A 18 4.691 11.408 7.388 1.00 13.32 H new ATOM 0 HB3 HIS A 18 3.658 10.809 6.105 1.00 13.32 H new ATOM 0 HD1 HIS A 18 5.197 9.814 9.389 1.00 2.32 H new ATOM 0 HD2 HIS A 18 2.773 8.146 6.414 1.00 13.22 H new ATOM 0 HE1 HIS A 18 4.198 7.697 10.374 1.00 25.22 H new ATOM 293 N SER A 19 7.290 12.103 6.423 1.00 44.43 N ATOM 294 CA SER A 19 8.488 12.728 6.992 1.00 30.24 C ATOM 295 C SER A 19 8.726 12.299 8.442 1.00 2.52 C ATOM 296 O SER A 19 9.851 11.990 8.831 1.00 50.51 O ATOM 297 CB SER A 19 8.366 14.254 6.904 1.00 4.54 C ATOM 298 OG SER A 19 9.567 14.893 7.298 1.00 60.24 O ATOM 0 H SER A 19 6.682 12.761 5.935 1.00 44.43 H new ATOM 0 HA SER A 19 9.347 12.393 6.410 1.00 30.24 H new ATOM 0 HB2 SER A 19 8.117 14.542 5.883 1.00 4.54 H new ATOM 0 HB3 SER A 19 7.547 14.592 7.539 1.00 4.54 H new ATOM 0 HG SER A 19 10.229 14.816 6.580 1.00 60.24 H new ATOM 304 N GLN A 20 7.676 12.284 9.231 1.00 64.03 N ATOM 305 CA GLN A 20 7.786 11.861 10.608 1.00 10.32 C ATOM 306 C GLN A 20 7.425 10.391 10.733 1.00 72.35 C ATOM 307 O GLN A 20 6.250 10.036 10.785 1.00 44.03 O ATOM 308 CB GLN A 20 6.889 12.711 11.504 1.00 14.12 C ATOM 309 CG GLN A 20 7.259 14.185 11.512 1.00 61.02 C ATOM 310 CD GLN A 20 8.657 14.437 12.045 1.00 43.22 C ATOM 311 OE1 GLN A 20 9.151 13.704 12.903 1.00 32.55 O ATOM 312 NE2 GLN A 20 9.303 15.468 11.540 1.00 41.30 N ATOM 0 H GLN A 20 6.737 12.560 8.943 1.00 64.03 H new ATOM 0 HA GLN A 20 8.818 11.996 10.933 1.00 10.32 H new ATOM 0 HB2 GLN A 20 5.856 12.606 11.174 1.00 14.12 H new ATOM 0 HB3 GLN A 20 6.939 12.327 12.523 1.00 14.12 H new ATOM 0 HG2 GLN A 20 7.185 14.579 10.498 1.00 61.02 H new ATOM 0 HG3 GLN A 20 6.539 14.732 12.120 1.00 61.02 H new ATOM 0 HE21 GLN A 20 8.858 16.051 10.831 1.00 41.30 H new ATOM 0 HE22 GLN A 20 10.248 15.684 11.858 1.00 41.30 H new ATOM 321 N SER A 21 8.437 9.540 10.723 1.00 5.03 N ATOM 322 CA SER A 21 8.241 8.106 10.852 1.00 64.23 C ATOM 323 C SER A 21 9.558 7.419 11.195 1.00 30.31 C ATOM 324 O SER A 21 10.572 8.087 11.432 1.00 33.52 O ATOM 325 CB SER A 21 7.659 7.519 9.554 1.00 55.33 C ATOM 326 OG SER A 21 8.523 7.744 8.451 1.00 73.24 O ATOM 0 H SER A 21 9.413 9.822 10.626 1.00 5.03 H new ATOM 0 HA SER A 21 7.532 7.929 11.660 1.00 64.23 H new ATOM 0 HB2 SER A 21 7.496 6.448 9.678 1.00 55.33 H new ATOM 0 HB3 SER A 21 6.686 7.968 9.354 1.00 55.33 H new ATOM 0 HG SER A 21 8.184 8.493 7.918 1.00 73.24 H new ATOM 332 N ARG A 22 9.534 6.090 11.224 1.00 23.10 N ATOM 333 CA ARG A 22 10.717 5.290 11.521 1.00 70.34 C ATOM 334 C ARG A 22 11.808 5.518 10.476 1.00 71.31 C ATOM 335 O ARG A 22 12.999 5.496 10.789 1.00 14.21 O ATOM 336 CB ARG A 22 10.342 3.800 11.574 1.00 22.21 C ATOM 337 CG ARG A 22 9.892 3.225 10.231 1.00 51.12 C ATOM 338 CD ARG A 22 9.278 1.845 10.386 1.00 21.15 C ATOM 339 NE ARG A 22 10.175 0.906 11.055 1.00 10.12 N ATOM 340 CZ ARG A 22 9.846 0.199 12.139 1.00 43.12 C ATOM 341 NH1 ARG A 22 8.659 0.376 12.722 1.00 54.32 N ATOM 342 NH2 ARG A 22 10.710 -0.672 12.650 1.00 72.51 N ATOM 0 H ARG A 22 8.695 5.538 11.043 1.00 23.10 H new ATOM 0 HA ARG A 22 11.105 5.599 12.492 1.00 70.34 H new ATOM 0 HB2 ARG A 22 11.201 3.232 11.932 1.00 22.21 H new ATOM 0 HB3 ARG A 22 9.543 3.662 12.303 1.00 22.21 H new ATOM 0 HG2 ARG A 22 9.166 3.897 9.773 1.00 51.12 H new ATOM 0 HG3 ARG A 22 10.745 3.169 9.555 1.00 51.12 H new ATOM 0 HD2 ARG A 22 8.351 1.925 10.954 1.00 21.15 H new ATOM 0 HD3 ARG A 22 9.016 1.455 9.403 1.00 21.15 H new ATOM 0 HE ARG A 22 11.111 0.783 10.670 1.00 10.12 H new ATOM 0 HH11 ARG A 22 7.999 1.053 12.340 1.00 54.32 H new ATOM 0 HH12 ARG A 22 8.412 -0.166 13.550 1.00 54.32 H new ATOM 0 HH21 ARG A 22 11.623 -0.800 12.214 1.00 72.51 H new ATOM 0 HH22 ARG A 22 10.460 -1.213 13.478 1.00 72.51 H new ATOM 356 N ARG A 23 11.393 5.755 9.242 1.00 42.01 N ATOM 357 CA ARG A 23 12.322 5.954 8.156 1.00 14.24 C ATOM 358 C ARG A 23 11.664 6.721 7.019 1.00 13.34 C ATOM 359 O ARG A 23 10.964 6.140 6.187 1.00 34.30 O ATOM 360 CB ARG A 23 12.851 4.607 7.649 1.00 50.30 C ATOM 361 CG ARG A 23 13.845 4.720 6.505 1.00 31.04 C ATOM 362 CD ARG A 23 14.347 3.353 6.075 1.00 71.04 C ATOM 363 NE ARG A 23 15.324 3.445 4.987 1.00 32.14 N ATOM 364 CZ ARG A 23 16.641 3.265 5.143 1.00 44.31 C ATOM 365 NH1 ARG A 23 17.144 3.009 6.344 1.00 65.43 N ATOM 366 NH2 ARG A 23 17.455 3.348 4.097 1.00 20.34 N ATOM 0 H ARG A 23 10.411 5.813 8.973 1.00 42.01 H new ATOM 0 HA ARG A 23 13.161 6.541 8.529 1.00 14.24 H new ATOM 0 HB2 ARG A 23 13.325 4.080 8.477 1.00 50.30 H new ATOM 0 HB3 ARG A 23 12.008 3.997 7.324 1.00 50.30 H new ATOM 0 HG2 ARG A 23 13.374 5.220 5.659 1.00 31.04 H new ATOM 0 HG3 ARG A 23 14.688 5.339 6.812 1.00 31.04 H new ATOM 0 HD2 ARG A 23 14.801 2.848 6.928 1.00 71.04 H new ATOM 0 HD3 ARG A 23 13.504 2.741 5.754 1.00 71.04 H new ATOM 0 HE ARG A 23 14.979 3.660 4.052 1.00 32.14 H new ATOM 0 HH11 ARG A 23 16.526 2.949 7.153 1.00 65.43 H new ATOM 0 HH12 ARG A 23 18.148 2.873 6.458 1.00 65.43 H new ATOM 0 HH21 ARG A 23 17.077 3.549 3.171 1.00 20.34 H new ATOM 0 HH22 ARG A 23 18.458 3.210 4.219 1.00 20.34 H new ATOM 380 N PRO A 24 11.861 8.040 6.981 1.00 70.42 N ATOM 381 CA PRO A 24 11.339 8.889 5.917 1.00 13.53 C ATOM 382 C PRO A 24 12.280 8.889 4.719 1.00 13.31 C ATOM 383 O PRO A 24 12.627 9.940 4.177 1.00 31.33 O ATOM 384 CB PRO A 24 11.309 10.265 6.572 1.00 32.42 C ATOM 385 CG PRO A 24 12.451 10.251 7.531 1.00 23.10 C ATOM 386 CD PRO A 24 12.611 8.821 7.989 1.00 34.45 C ATOM 0 HA PRO A 24 10.370 8.564 5.539 1.00 13.53 H new ATOM 0 HB2 PRO A 24 11.422 11.058 5.833 1.00 32.42 H new ATOM 0 HB3 PRO A 24 10.363 10.439 7.085 1.00 32.42 H new ATOM 0 HG2 PRO A 24 13.363 10.609 7.053 1.00 23.10 H new ATOM 0 HG3 PRO A 24 12.255 10.909 8.377 1.00 23.10 H new ATOM 0 HD2 PRO A 24 13.660 8.527 8.023 1.00 34.45 H new ATOM 0 HD3 PRO A 24 12.206 8.674 8.990 1.00 34.45 H new ATOM 394 N SER A 25 12.676 7.704 4.305 1.00 33.40 N ATOM 395 CA SER A 25 13.608 7.549 3.222 1.00 54.42 C ATOM 396 C SER A 25 13.265 6.303 2.409 1.00 62.25 C ATOM 397 O SER A 25 12.871 5.277 2.972 1.00 13.41 O ATOM 398 CB SER A 25 15.028 7.442 3.786 1.00 11.34 C ATOM 399 OG SER A 25 15.995 7.458 2.758 1.00 73.31 O ATOM 0 H SER A 25 12.358 6.825 4.713 1.00 33.40 H new ATOM 0 HA SER A 25 13.548 8.417 2.565 1.00 54.42 H new ATOM 0 HB2 SER A 25 15.211 8.269 4.472 1.00 11.34 H new ATOM 0 HB3 SER A 25 15.123 6.522 4.363 1.00 11.34 H new ATOM 0 HG SER A 25 16.214 8.385 2.529 1.00 73.31 H new ATOM 405 N SER A 26 13.406 6.401 1.097 1.00 32.01 N ATOM 406 CA SER A 26 13.122 5.292 0.205 1.00 24.13 C ATOM 407 C SER A 26 13.782 5.543 -1.151 1.00 51.04 C ATOM 408 O SER A 26 14.610 6.450 -1.284 1.00 23.11 O ATOM 409 CB SER A 26 11.602 5.116 0.044 1.00 43.23 C ATOM 410 OG SER A 26 11.290 3.927 -0.682 1.00 60.25 O ATOM 0 H SER A 26 13.719 7.248 0.623 1.00 32.01 H new ATOM 0 HA SER A 26 13.528 4.374 0.630 1.00 24.13 H new ATOM 0 HB2 SER A 26 11.132 5.078 1.027 1.00 43.23 H new ATOM 0 HB3 SER A 26 11.187 5.980 -0.474 1.00 43.23 H new ATOM 0 HG SER A 26 11.950 3.234 -0.473 1.00 60.25 H new ATOM 415 N TRP A 27 13.416 4.752 -2.150 1.00 24.03 N ATOM 416 CA TRP A 27 13.975 4.894 -3.487 1.00 42.34 C ATOM 417 C TRP A 27 13.399 6.130 -4.171 1.00 12.34 C ATOM 418 O TRP A 27 13.953 6.630 -5.152 1.00 63.43 O ATOM 419 CB TRP A 27 13.695 3.640 -4.329 1.00 74.30 C ATOM 420 CG TRP A 27 12.260 3.498 -4.744 1.00 64.32 C ATOM 421 CD1 TRP A 27 11.216 3.076 -3.973 1.00 51.31 C ATOM 422 CD2 TRP A 27 11.715 3.780 -6.037 1.00 24.30 C ATOM 423 NE1 TRP A 27 10.057 3.091 -4.706 1.00 2.55 N ATOM 424 CE2 TRP A 27 10.337 3.516 -5.975 1.00 63.12 C ATOM 425 CE3 TRP A 27 12.262 4.234 -7.240 1.00 1.12 C ATOM 426 CZ2 TRP A 27 9.498 3.690 -7.068 1.00 70.41 C ATOM 427 CZ3 TRP A 27 11.427 4.407 -8.325 1.00 43.20 C ATOM 428 CH2 TRP A 27 10.059 4.136 -8.232 1.00 2.21 C ATOM 0 H TRP A 27 12.731 4.002 -2.059 1.00 24.03 H new ATOM 0 HA TRP A 27 15.055 5.013 -3.397 1.00 42.34 H new ATOM 0 HB2 TRP A 27 14.321 3.665 -5.221 1.00 74.30 H new ATOM 0 HB3 TRP A 27 13.988 2.758 -3.759 1.00 74.30 H new ATOM 0 HD1 TRP A 27 11.291 2.775 -2.939 1.00 51.31 H new ATOM 0 HE1 TRP A 27 9.134 2.827 -4.360 1.00 2.55 H new ATOM 0 HE3 TRP A 27 13.318 4.445 -7.319 1.00 1.12 H new ATOM 0 HZ2 TRP A 27 8.441 3.481 -7.001 1.00 70.41 H new ATOM 0 HZ3 TRP A 27 11.837 4.757 -9.261 1.00 43.20 H new ATOM 0 HH2 TRP A 27 9.431 4.282 -9.099 1.00 2.21 H new ATOM 439 N ARG A 28 12.273 6.608 -3.647 1.00 44.51 N ATOM 440 CA ARG A 28 11.621 7.797 -4.171 1.00 31.14 C ATOM 441 C ARG A 28 12.504 9.019 -3.991 1.00 43.04 C ATOM 442 O ARG A 28 12.634 9.840 -4.896 1.00 23.14 O ATOM 443 CB ARG A 28 10.276 8.022 -3.480 1.00 42.42 C ATOM 444 CG ARG A 28 9.166 7.085 -3.938 1.00 52.13 C ATOM 445 CD ARG A 28 8.859 7.272 -5.415 1.00 12.02 C ATOM 446 NE ARG A 28 8.675 8.686 -5.764 1.00 21.21 N ATOM 447 CZ ARG A 28 8.529 9.142 -7.010 1.00 25.13 C ATOM 448 NH1 ARG A 28 8.433 8.293 -8.025 1.00 43.31 N ATOM 449 NH2 ARG A 28 8.450 10.449 -7.235 1.00 12.33 N ATOM 0 H ARG A 28 11.793 6.183 -2.854 1.00 44.51 H new ATOM 0 HA ARG A 28 11.449 7.644 -5.236 1.00 31.14 H new ATOM 0 HB2 ARG A 28 10.411 7.907 -2.404 1.00 42.42 H new ATOM 0 HB3 ARG A 28 9.960 9.051 -3.653 1.00 42.42 H new ATOM 0 HG2 ARG A 28 9.460 6.052 -3.754 1.00 52.13 H new ATOM 0 HG3 ARG A 28 8.266 7.270 -3.351 1.00 52.13 H new ATOM 0 HD2 ARG A 28 9.671 6.855 -6.010 1.00 12.02 H new ATOM 0 HD3 ARG A 28 7.958 6.715 -5.671 1.00 12.02 H new ATOM 0 HE ARG A 28 8.658 9.365 -5.003 1.00 21.21 H new ATOM 0 HH11 ARG A 28 8.471 7.288 -7.855 1.00 43.31 H new ATOM 0 HH12 ARG A 28 8.321 8.645 -8.976 1.00 43.31 H new ATOM 0 HH21 ARG A 28 8.501 11.105 -6.455 1.00 12.33 H new ATOM 0 HH22 ARG A 28 8.338 10.797 -8.187 1.00 12.33 H new ATOM 463 N GLN A 29 13.118 9.123 -2.824 1.00 62.52 N ATOM 464 CA GLN A 29 13.985 10.240 -2.509 1.00 3.34 C ATOM 465 C GLN A 29 14.711 9.969 -1.197 1.00 54.03 C ATOM 466 O GLN A 29 14.201 9.235 -0.340 1.00 53.12 O ATOM 467 CB GLN A 29 13.165 11.537 -2.424 1.00 21.42 C ATOM 468 CG GLN A 29 13.996 12.800 -2.293 1.00 25.21 C ATOM 469 CD GLN A 29 13.171 14.050 -2.504 1.00 55.24 C ATOM 470 OE1 GLN A 29 13.058 14.550 -3.619 1.00 4.54 O ATOM 471 NE2 GLN A 29 12.576 14.550 -1.444 1.00 61.04 N ATOM 0 H GLN A 29 13.029 8.438 -2.074 1.00 62.52 H new ATOM 0 HA GLN A 29 14.726 10.359 -3.299 1.00 3.34 H new ATOM 0 HB2 GLN A 29 12.543 11.618 -3.315 1.00 21.42 H new ATOM 0 HB3 GLN A 29 12.491 11.470 -1.570 1.00 21.42 H new ATOM 0 HG2 GLN A 29 14.454 12.831 -1.304 1.00 25.21 H new ATOM 0 HG3 GLN A 29 14.808 12.776 -3.019 1.00 25.21 H new ATOM 0 HE21 GLN A 29 12.695 14.104 -0.534 1.00 61.04 H new ATOM 0 HE22 GLN A 29 11.995 15.384 -1.531 1.00 61.04 H new ATOM 480 N GLU A 30 15.904 10.545 -1.053 1.00 22.24 N ATOM 481 CA GLU A 30 16.725 10.360 0.143 1.00 34.30 C ATOM 482 C GLU A 30 15.980 10.791 1.406 1.00 41.31 C ATOM 483 O GLU A 30 16.105 10.159 2.455 1.00 13.13 O ATOM 484 CB GLU A 30 18.035 11.140 0.018 1.00 61.42 C ATOM 485 CG GLU A 30 17.842 12.640 -0.124 1.00 64.30 C ATOM 486 CD GLU A 30 19.143 13.392 -0.148 1.00 2.33 C ATOM 487 OE1 GLU A 30 19.746 13.577 0.927 1.00 50.44 O ATOM 488 OE2 GLU A 30 19.568 13.809 -1.239 1.00 74.20 O ATOM 0 H GLU A 30 16.327 11.150 -1.758 1.00 22.24 H new ATOM 0 HA GLU A 30 16.948 9.296 0.228 1.00 34.30 H new ATOM 0 HB2 GLU A 30 18.650 10.943 0.896 1.00 61.42 H new ATOM 0 HB3 GLU A 30 18.587 10.770 -0.846 1.00 61.42 H new ATOM 0 HG2 GLU A 30 17.291 12.846 -1.042 1.00 64.30 H new ATOM 0 HG3 GLU A 30 17.232 13.004 0.703 1.00 64.30 H new ATOM 495 N LYS A 31 15.211 11.860 1.301 1.00 63.43 N ATOM 496 CA LYS A 31 14.451 12.354 2.424 1.00 71.45 C ATOM 497 C LYS A 31 13.045 12.724 1.993 1.00 15.23 C ATOM 498 O LYS A 31 12.844 13.324 0.939 1.00 1.14 O ATOM 499 CB LYS A 31 15.178 13.538 3.116 1.00 63.53 C ATOM 500 CG LYS A 31 15.494 14.746 2.225 1.00 42.40 C ATOM 501 CD LYS A 31 14.317 15.711 2.135 1.00 2.42 C ATOM 502 CE LYS A 31 14.691 16.992 1.403 1.00 73.54 C ATOM 503 NZ LYS A 31 15.689 17.798 2.155 1.00 0.13 N ATOM 0 H LYS A 31 15.099 12.401 0.444 1.00 63.43 H new ATOM 0 HA LYS A 31 14.370 11.557 3.163 1.00 71.45 H new ATOM 0 HB2 LYS A 31 14.564 13.878 3.950 1.00 63.53 H new ATOM 0 HB3 LYS A 31 16.113 13.168 3.538 1.00 63.53 H new ATOM 0 HG2 LYS A 31 16.364 15.271 2.620 1.00 42.40 H new ATOM 0 HG3 LYS A 31 15.757 14.400 1.225 1.00 42.40 H new ATOM 0 HD2 LYS A 31 13.488 15.226 1.619 1.00 2.42 H new ATOM 0 HD3 LYS A 31 13.969 15.954 3.139 1.00 2.42 H new ATOM 0 HE2 LYS A 31 15.093 16.743 0.421 1.00 73.54 H new ATOM 0 HE3 LYS A 31 13.794 17.589 1.238 1.00 73.54 H new ATOM 0 HZ1 LYS A 31 15.738 18.755 1.751 1.00 0.13 H new ATOM 0 HZ2 LYS A 31 15.405 17.858 3.154 1.00 0.13 H new ATOM 0 HZ3 LYS A 31 16.623 17.345 2.087 1.00 0.13 H new ATOM 517 N ILE A 32 12.084 12.335 2.789 1.00 73.24 N ATOM 518 CA ILE A 32 10.694 12.607 2.505 1.00 1.34 C ATOM 519 C ILE A 32 10.212 13.819 3.301 1.00 30.22 C ATOM 520 O ILE A 32 10.321 13.852 4.527 1.00 12.01 O ATOM 521 CB ILE A 32 9.824 11.367 2.825 1.00 50.13 C ATOM 522 CG1 ILE A 32 10.199 10.214 1.884 1.00 24.24 C ATOM 523 CG2 ILE A 32 8.345 11.692 2.716 1.00 63.30 C ATOM 524 CD1 ILE A 32 9.448 8.932 2.152 1.00 73.54 C ATOM 0 H ILE A 32 12.240 11.819 3.655 1.00 73.24 H new ATOM 0 HA ILE A 32 10.597 12.832 1.443 1.00 1.34 H new ATOM 0 HB ILE A 32 10.018 11.063 3.854 1.00 50.13 H new ATOM 0 HG12 ILE A 32 10.013 10.523 0.855 1.00 24.24 H new ATOM 0 HG13 ILE A 32 11.268 10.021 1.971 1.00 24.24 H new ATOM 0 HG21 ILE A 32 7.759 10.802 2.946 1.00 63.30 H new ATOM 0 HG22 ILE A 32 8.094 12.484 3.421 1.00 63.30 H new ATOM 0 HG23 ILE A 32 8.119 12.023 1.702 1.00 63.30 H new ATOM 0 HD11 ILE A 32 9.770 8.167 1.445 1.00 73.54 H new ATOM 0 HD12 ILE A 32 9.653 8.596 3.169 1.00 73.54 H new ATOM 0 HD13 ILE A 32 8.378 9.106 2.036 1.00 73.54 H new ATOM 536 N THR A 33 9.701 14.816 2.593 1.00 42.12 N ATOM 537 CA THR A 33 9.226 16.041 3.218 1.00 53.33 C ATOM 538 C THR A 33 7.722 15.990 3.493 1.00 72.04 C ATOM 539 O THR A 33 7.221 16.672 4.393 1.00 40.22 O ATOM 540 CB THR A 33 9.549 17.268 2.343 1.00 44.23 C ATOM 541 OG1 THR A 33 9.154 17.015 0.985 1.00 71.14 O ATOM 542 CG2 THR A 33 11.036 17.581 2.387 1.00 34.11 C ATOM 0 H THR A 33 9.605 14.799 1.578 1.00 42.12 H new ATOM 0 HA THR A 33 9.747 16.133 4.171 1.00 53.33 H new ATOM 0 HB THR A 33 8.998 18.124 2.732 1.00 44.23 H new ATOM 0 HG1 THR A 33 9.360 17.798 0.433 1.00 71.14 H new ATOM 0 HG21 THR A 33 11.243 18.450 1.763 1.00 34.11 H new ATOM 0 HG22 THR A 33 11.333 17.792 3.414 1.00 34.11 H new ATOM 0 HG23 THR A 33 11.599 16.725 2.015 1.00 34.11 H new ATOM 550 N ARG A 34 7.007 15.192 2.712 1.00 22.14 N ATOM 551 CA ARG A 34 5.562 15.044 2.880 1.00 22.03 C ATOM 552 C ARG A 34 5.229 14.340 4.192 1.00 4.14 C ATOM 553 O ARG A 34 5.704 13.236 4.460 1.00 60.13 O ATOM 554 CB ARG A 34 4.942 14.293 1.686 1.00 34.35 C ATOM 555 CG ARG A 34 5.803 13.157 1.159 1.00 41.24 C ATOM 556 CD ARG A 34 5.136 12.416 0.014 1.00 1.44 C ATOM 557 NE ARG A 34 6.112 11.672 -0.792 1.00 4.24 N ATOM 558 CZ ARG A 34 6.456 10.389 -0.596 1.00 42.41 C ATOM 559 NH1 ARG A 34 5.928 9.692 0.401 1.00 33.11 N ATOM 560 NH2 ARG A 34 7.342 9.809 -1.399 1.00 52.10 N ATOM 0 H ARG A 34 7.402 14.635 1.954 1.00 22.14 H new ATOM 0 HA ARG A 34 5.129 16.044 2.915 1.00 22.03 H new ATOM 0 HB2 ARG A 34 3.973 13.893 1.984 1.00 34.35 H new ATOM 0 HB3 ARG A 34 4.759 15.002 0.879 1.00 34.35 H new ATOM 0 HG2 ARG A 34 6.761 13.555 0.823 1.00 41.24 H new ATOM 0 HG3 ARG A 34 6.014 12.458 1.968 1.00 41.24 H new ATOM 0 HD2 ARG A 34 4.391 11.727 0.411 1.00 1.44 H new ATOM 0 HD3 ARG A 34 4.606 13.127 -0.620 1.00 1.44 H new ATOM 0 HE ARG A 34 6.564 12.168 -1.560 1.00 4.24 H new ATOM 0 HH11 ARG A 34 5.253 10.130 1.028 1.00 33.11 H new ATOM 0 HH12 ARG A 34 6.197 8.718 0.541 1.00 33.11 H new ATOM 0 HH21 ARG A 34 7.760 10.338 -2.164 1.00 52.10 H new ATOM 0 HH22 ARG A 34 7.604 8.834 -1.250 1.00 52.10 H new ATOM 574 N THR A 35 4.436 14.995 5.016 1.00 42.21 N ATOM 575 CA THR A 35 4.030 14.439 6.288 1.00 34.40 C ATOM 576 C THR A 35 2.815 13.509 6.108 1.00 2.42 C ATOM 577 O THR A 35 2.413 13.215 4.984 1.00 35.23 O ATOM 578 CB THR A 35 3.711 15.560 7.320 1.00 34.34 C ATOM 579 OG1 THR A 35 3.564 14.999 8.630 1.00 42.51 O ATOM 580 CG2 THR A 35 2.440 16.310 6.948 1.00 15.31 C ATOM 0 H THR A 35 4.057 15.922 4.823 1.00 42.21 H new ATOM 0 HA THR A 35 4.863 13.854 6.678 1.00 34.40 H new ATOM 0 HB THR A 35 4.544 16.263 7.312 1.00 34.34 H new ATOM 0 HG1 THR A 35 3.365 15.713 9.271 1.00 42.51 H new ATOM 0 HG21 THR A 35 2.245 17.086 7.689 1.00 15.31 H new ATOM 0 HG22 THR A 35 2.562 16.768 5.966 1.00 15.31 H new ATOM 0 HG23 THR A 35 1.601 15.614 6.922 1.00 15.31 H new ATOM 588 N LYS A 36 2.247 13.055 7.218 1.00 4.22 N ATOM 589 CA LYS A 36 1.117 12.128 7.200 1.00 73.33 C ATOM 590 C LYS A 36 -0.091 12.707 6.455 1.00 51.41 C ATOM 591 O LYS A 36 -0.660 12.049 5.584 1.00 54.31 O ATOM 592 CB LYS A 36 0.743 11.738 8.630 1.00 23.44 C ATOM 593 CG LYS A 36 -0.562 10.977 8.753 1.00 33.51 C ATOM 594 CD LYS A 36 -0.780 10.496 10.174 1.00 4.22 C ATOM 595 CE LYS A 36 -2.237 10.170 10.428 1.00 15.21 C ATOM 596 NZ LYS A 36 -3.086 11.389 10.382 1.00 54.32 N ATOM 0 H LYS A 36 2.554 13.317 8.155 1.00 4.22 H new ATOM 0 HA LYS A 36 1.423 11.235 6.655 1.00 73.33 H new ATOM 0 HB2 LYS A 36 1.545 11.130 9.049 1.00 23.44 H new ATOM 0 HB3 LYS A 36 0.680 12.642 9.235 1.00 23.44 H new ATOM 0 HG2 LYS A 36 -1.390 11.618 8.451 1.00 33.51 H new ATOM 0 HG3 LYS A 36 -0.555 10.124 8.074 1.00 33.51 H new ATOM 0 HD2 LYS A 36 -0.170 9.612 10.358 1.00 4.22 H new ATOM 0 HD3 LYS A 36 -0.449 11.263 10.874 1.00 4.22 H new ATOM 0 HE2 LYS A 36 -2.586 9.455 9.683 1.00 15.21 H new ATOM 0 HE3 LYS A 36 -2.339 9.691 11.402 1.00 15.21 H new ATOM 0 HZ1 LYS A 36 -3.561 11.516 11.298 1.00 54.32 H new ATOM 0 HZ2 LYS A 36 -2.492 12.219 10.182 1.00 54.32 H new ATOM 0 HZ3 LYS A 36 -3.800 11.287 9.633 1.00 54.32 H new ATOM 610 N GLU A 37 -0.467 13.933 6.798 1.00 5.15 N ATOM 611 CA GLU A 37 -1.602 14.605 6.154 1.00 1.24 C ATOM 612 C GLU A 37 -1.385 14.715 4.653 1.00 3.43 C ATOM 613 O GLU A 37 -2.284 14.440 3.856 1.00 45.12 O ATOM 614 CB GLU A 37 -1.811 16.006 6.746 1.00 22.35 C ATOM 615 CG GLU A 37 -2.442 16.023 8.132 1.00 12.21 C ATOM 616 CD GLU A 37 -1.654 15.244 9.157 1.00 64.22 C ATOM 617 OE1 GLU A 37 -0.538 15.680 9.511 1.00 43.23 O ATOM 618 OE2 GLU A 37 -2.148 14.197 9.621 1.00 3.52 O ATOM 0 H GLU A 37 -0.005 14.487 7.519 1.00 5.15 H new ATOM 0 HA GLU A 37 -2.492 14.004 6.340 1.00 1.24 H new ATOM 0 HB2 GLU A 37 -0.847 16.513 6.794 1.00 22.35 H new ATOM 0 HB3 GLU A 37 -2.441 16.582 6.068 1.00 22.35 H new ATOM 0 HG2 GLU A 37 -2.539 17.056 8.467 1.00 12.21 H new ATOM 0 HG3 GLU A 37 -3.450 15.612 8.070 1.00 12.21 H new ATOM 625 N GLU A 38 -0.178 15.103 4.280 1.00 53.41 N ATOM 626 CA GLU A 38 0.186 15.261 2.887 1.00 31.32 C ATOM 627 C GLU A 38 0.171 13.914 2.170 1.00 4.22 C ATOM 628 O GLU A 38 -0.293 13.811 1.036 1.00 30.24 O ATOM 629 CB GLU A 38 1.567 15.911 2.779 1.00 53.23 C ATOM 630 CG GLU A 38 1.648 17.274 3.448 1.00 14.13 C ATOM 631 CD GLU A 38 3.046 17.850 3.450 1.00 63.32 C ATOM 632 OE1 GLU A 38 3.836 17.498 4.342 1.00 42.41 O ATOM 633 OE2 GLU A 38 3.361 18.667 2.564 1.00 52.11 O ATOM 0 H GLU A 38 0.575 15.317 4.935 1.00 53.41 H new ATOM 0 HA GLU A 38 -0.547 15.909 2.406 1.00 31.32 H new ATOM 0 HB2 GLU A 38 2.308 15.250 3.228 1.00 53.23 H new ATOM 0 HB3 GLU A 38 1.830 16.015 1.726 1.00 53.23 H new ATOM 0 HG2 GLU A 38 0.978 17.964 2.936 1.00 14.13 H new ATOM 0 HG3 GLU A 38 1.294 17.190 4.476 1.00 14.13 H new ATOM 640 N ALA A 39 0.662 12.885 2.849 1.00 73.01 N ATOM 641 CA ALA A 39 0.718 11.537 2.295 1.00 75.53 C ATOM 642 C ALA A 39 -0.680 10.992 2.015 1.00 33.31 C ATOM 643 O ALA A 39 -0.896 10.292 1.023 1.00 53.30 O ATOM 644 CB ALA A 39 1.463 10.610 3.245 1.00 4.30 C ATOM 0 H ALA A 39 1.032 12.960 3.797 1.00 73.01 H new ATOM 0 HA ALA A 39 1.255 11.585 1.348 1.00 75.53 H new ATOM 0 HB1 ALA A 39 1.498 9.606 2.821 1.00 4.30 H new ATOM 0 HB2 ALA A 39 2.478 10.978 3.391 1.00 4.30 H new ATOM 0 HB3 ALA A 39 0.946 10.580 4.204 1.00 4.30 H new ATOM 650 N LEU A 40 -1.627 11.324 2.887 1.00 53.44 N ATOM 651 CA LEU A 40 -3.003 10.863 2.741 1.00 12.42 C ATOM 652 C LEU A 40 -3.627 11.402 1.457 1.00 51.52 C ATOM 653 O LEU A 40 -4.404 10.708 0.792 1.00 21.53 O ATOM 654 CB LEU A 40 -3.839 11.277 3.955 1.00 10.23 C ATOM 655 CG LEU A 40 -5.302 10.822 3.945 1.00 22.23 C ATOM 656 CD1 LEU A 40 -5.396 9.304 3.881 1.00 32.34 C ATOM 657 CD2 LEU A 40 -6.025 11.345 5.169 1.00 71.14 C ATOM 0 H LEU A 40 -1.466 11.912 3.704 1.00 53.44 H new ATOM 0 HA LEU A 40 -2.990 9.775 2.681 1.00 12.42 H new ATOM 0 HB2 LEU A 40 -3.362 10.883 4.852 1.00 10.23 H new ATOM 0 HB3 LEU A 40 -3.817 12.364 4.034 1.00 10.23 H new ATOM 0 HG LEU A 40 -5.781 11.231 3.055 1.00 22.23 H new ATOM 0 HD11 LEU A 40 -6.444 9.004 3.875 1.00 32.34 H new ATOM 0 HD12 LEU A 40 -4.911 8.947 2.972 1.00 32.34 H new ATOM 0 HD13 LEU A 40 -4.900 8.872 4.750 1.00 32.34 H new ATOM 0 HD21 LEU A 40 -7.063 11.014 5.148 1.00 71.14 H new ATOM 0 HD22 LEU A 40 -5.541 10.964 6.068 1.00 71.14 H new ATOM 0 HD23 LEU A 40 -5.992 12.434 5.173 1.00 71.14 H new ATOM 669 N GLU A 41 -3.271 12.630 1.106 1.00 70.14 N ATOM 670 CA GLU A 41 -3.772 13.254 -0.110 1.00 63.41 C ATOM 671 C GLU A 41 -3.321 12.465 -1.329 1.00 5.11 C ATOM 672 O GLU A 41 -4.084 12.284 -2.282 1.00 14.13 O ATOM 673 CB GLU A 41 -3.288 14.693 -0.206 1.00 44.51 C ATOM 674 CG GLU A 41 -3.749 15.564 0.946 1.00 41.44 C ATOM 675 CD GLU A 41 -3.178 16.956 0.879 1.00 53.44 C ATOM 676 OE1 GLU A 41 -3.754 17.805 0.169 1.00 21.20 O ATOM 677 OE2 GLU A 41 -2.157 17.215 1.545 1.00 10.00 O ATOM 0 H GLU A 41 -2.635 13.215 1.648 1.00 70.14 H new ATOM 0 HA GLU A 41 -4.861 13.256 -0.077 1.00 63.41 H new ATOM 0 HB2 GLU A 41 -2.199 14.700 -0.243 1.00 44.51 H new ATOM 0 HB3 GLU A 41 -3.642 15.125 -1.142 1.00 44.51 H new ATOM 0 HG2 GLU A 41 -4.838 15.620 0.942 1.00 41.44 H new ATOM 0 HG3 GLU A 41 -3.457 15.100 1.888 1.00 41.44 H new ATOM 684 N LEU A 42 -2.079 11.988 -1.284 1.00 2.24 N ATOM 685 CA LEU A 42 -1.530 11.168 -2.356 1.00 70.22 C ATOM 686 C LEU A 42 -2.301 9.865 -2.452 1.00 61.44 C ATOM 687 O LEU A 42 -2.724 9.462 -3.533 1.00 12.55 O ATOM 688 CB LEU A 42 -0.040 10.871 -2.114 1.00 74.22 C ATOM 689 CG LEU A 42 0.965 11.947 -2.558 1.00 54.03 C ATOM 690 CD1 LEU A 42 0.730 13.263 -1.838 1.00 61.53 C ATOM 691 CD2 LEU A 42 2.387 11.462 -2.329 1.00 42.03 C ATOM 0 H LEU A 42 -1.433 12.157 -0.513 1.00 2.24 H new ATOM 0 HA LEU A 42 -1.624 11.719 -3.291 1.00 70.22 H new ATOM 0 HB2 LEU A 42 0.102 10.694 -1.048 1.00 74.22 H new ATOM 0 HB3 LEU A 42 0.209 9.942 -2.627 1.00 74.22 H new ATOM 0 HG LEU A 42 0.816 12.124 -3.623 1.00 54.03 H new ATOM 0 HD11 LEU A 42 1.459 13.999 -2.178 1.00 61.53 H new ATOM 0 HD12 LEU A 42 -0.276 13.622 -2.055 1.00 61.53 H new ATOM 0 HD13 LEU A 42 0.838 13.114 -0.764 1.00 61.53 H new ATOM 0 HD21 LEU A 42 3.090 12.232 -2.647 1.00 42.03 H new ATOM 0 HD22 LEU A 42 2.534 11.252 -1.269 1.00 42.03 H new ATOM 0 HD23 LEU A 42 2.559 10.553 -2.906 1.00 42.03 H new ATOM 703 N ILE A 43 -2.490 9.223 -1.299 1.00 33.45 N ATOM 704 CA ILE A 43 -3.224 7.962 -1.208 1.00 71.25 C ATOM 705 C ILE A 43 -4.598 8.081 -1.858 1.00 3.33 C ATOM 706 O ILE A 43 -4.934 7.318 -2.769 1.00 33.11 O ATOM 707 CB ILE A 43 -3.396 7.524 0.271 1.00 35.41 C ATOM 708 CG1 ILE A 43 -2.034 7.218 0.908 1.00 33.41 C ATOM 709 CG2 ILE A 43 -4.326 6.320 0.384 1.00 23.32 C ATOM 710 CD1 ILE A 43 -1.317 6.032 0.292 1.00 43.02 C ATOM 0 H ILE A 43 -2.139 9.562 -0.403 1.00 33.45 H new ATOM 0 HA ILE A 43 -2.641 7.209 -1.739 1.00 71.25 H new ATOM 0 HB ILE A 43 -3.852 8.352 0.814 1.00 35.41 H new ATOM 0 HG12 ILE A 43 -1.398 8.099 0.821 1.00 33.41 H new ATOM 0 HG13 ILE A 43 -2.176 7.031 1.972 1.00 33.41 H new ATOM 0 HG21 ILE A 43 -4.428 6.036 1.431 1.00 23.32 H new ATOM 0 HG22 ILE A 43 -5.306 6.578 -0.019 1.00 23.32 H new ATOM 0 HG23 ILE A 43 -3.910 5.485 -0.180 1.00 23.32 H new ATOM 0 HD11 ILE A 43 -0.363 5.881 0.797 1.00 43.02 H new ATOM 0 HD12 ILE A 43 -1.931 5.138 0.402 1.00 43.02 H new ATOM 0 HD13 ILE A 43 -1.141 6.223 -0.767 1.00 43.02 H new ATOM 722 N ASN A 44 -5.378 9.054 -1.402 1.00 31.22 N ATOM 723 CA ASN A 44 -6.721 9.273 -1.933 1.00 11.42 C ATOM 724 C ASN A 44 -6.664 9.609 -3.415 1.00 43.54 C ATOM 725 O ASN A 44 -7.535 9.200 -4.189 1.00 12.12 O ATOM 726 CB ASN A 44 -7.440 10.393 -1.170 1.00 4.01 C ATOM 727 CG ASN A 44 -7.673 10.068 0.293 1.00 25.41 C ATOM 728 OD1 ASN A 44 -7.792 8.905 0.676 1.00 35.43 O ATOM 729 ND2 ASN A 44 -7.755 11.095 1.118 1.00 10.11 N ATOM 0 H ASN A 44 -5.105 9.705 -0.666 1.00 31.22 H new ATOM 0 HA ASN A 44 -7.284 8.349 -1.802 1.00 11.42 H new ATOM 0 HB2 ASN A 44 -6.852 11.308 -1.243 1.00 4.01 H new ATOM 0 HB3 ASN A 44 -8.399 10.591 -1.648 1.00 4.01 H new ATOM 0 HD21 ASN A 44 -7.923 10.939 2.112 1.00 10.11 H new ATOM 0 HD22 ASN A 44 -7.651 12.045 0.762 1.00 10.11 H new ATOM 736 N GLY A 45 -5.623 10.340 -3.807 1.00 70.14 N ATOM 737 CA GLY A 45 -5.450 10.716 -5.195 1.00 1.23 C ATOM 738 C GLY A 45 -5.287 9.512 -6.092 1.00 75.42 C ATOM 739 O GLY A 45 -5.937 9.416 -7.139 1.00 24.42 O ATOM 0 H GLY A 45 -4.893 10.679 -3.181 1.00 70.14 H new ATOM 0 HA2 GLY A 45 -6.311 11.298 -5.523 1.00 1.23 H new ATOM 0 HA3 GLY A 45 -4.575 11.360 -5.290 1.00 1.23 H new ATOM 743 N TYR A 46 -4.434 8.577 -5.675 1.00 35.44 N ATOM 744 CA TYR A 46 -4.209 7.356 -6.438 1.00 53.53 C ATOM 745 C TYR A 46 -5.508 6.579 -6.573 1.00 15.10 C ATOM 746 O TYR A 46 -5.818 6.052 -7.639 1.00 21.25 O ATOM 747 CB TYR A 46 -3.136 6.477 -5.779 1.00 22.31 C ATOM 748 CG TYR A 46 -1.799 7.166 -5.587 1.00 64.21 C ATOM 749 CD1 TYR A 46 -1.249 7.962 -6.587 1.00 35.35 C ATOM 750 CD2 TYR A 46 -1.093 7.026 -4.399 1.00 1.41 C ATOM 751 CE1 TYR A 46 -0.034 8.596 -6.406 1.00 2.41 C ATOM 752 CE2 TYR A 46 0.120 7.659 -4.211 1.00 1.53 C ATOM 753 CZ TYR A 46 0.645 8.441 -5.215 1.00 2.41 C ATOM 754 OH TYR A 46 1.855 9.074 -5.028 1.00 50.31 O ATOM 0 H TYR A 46 -3.890 8.644 -4.815 1.00 35.44 H new ATOM 0 HA TYR A 46 -3.853 7.638 -7.429 1.00 53.53 H new ATOM 0 HB2 TYR A 46 -3.502 6.143 -4.808 1.00 22.31 H new ATOM 0 HB3 TYR A 46 -2.988 5.585 -6.388 1.00 22.31 H new ATOM 0 HD1 TYR A 46 -1.780 8.086 -7.519 1.00 35.35 H new ATOM 0 HD2 TYR A 46 -1.499 6.412 -3.609 1.00 1.41 H new ATOM 0 HE1 TYR A 46 0.381 9.209 -7.192 1.00 2.41 H new ATOM 0 HE2 TYR A 46 0.655 7.541 -3.280 1.00 1.53 H new ATOM 0 HH TYR A 46 2.412 8.542 -4.422 1.00 50.31 H new ATOM 764 N ILE A 47 -6.277 6.536 -5.486 1.00 64.41 N ATOM 765 CA ILE A 47 -7.565 5.856 -5.481 1.00 64.22 C ATOM 766 C ILE A 47 -8.500 6.473 -6.525 1.00 45.12 C ATOM 767 O ILE A 47 -9.228 5.762 -7.223 1.00 40.20 O ATOM 768 CB ILE A 47 -8.235 5.913 -4.080 1.00 75.21 C ATOM 769 CG1 ILE A 47 -7.340 5.234 -3.035 1.00 14.05 C ATOM 770 CG2 ILE A 47 -9.613 5.257 -4.111 1.00 2.31 C ATOM 771 CD1 ILE A 47 -7.883 5.301 -1.621 1.00 52.20 C ATOM 0 H ILE A 47 -6.026 6.967 -4.596 1.00 64.41 H new ATOM 0 HA ILE A 47 -7.383 4.811 -5.730 1.00 64.22 H new ATOM 0 HB ILE A 47 -8.364 6.959 -3.803 1.00 75.21 H new ATOM 0 HG12 ILE A 47 -7.204 4.189 -3.312 1.00 14.05 H new ATOM 0 HG13 ILE A 47 -6.355 5.700 -3.057 1.00 14.05 H new ATOM 0 HG21 ILE A 47 -10.063 5.309 -3.120 1.00 2.31 H new ATOM 0 HG22 ILE A 47 -10.249 5.780 -4.826 1.00 2.31 H new ATOM 0 HG23 ILE A 47 -9.513 4.214 -4.410 1.00 2.31 H new ATOM 0 HD11 ILE A 47 -7.193 4.799 -0.942 1.00 52.20 H new ATOM 0 HD12 ILE A 47 -7.992 6.344 -1.322 1.00 52.20 H new ATOM 0 HD13 ILE A 47 -8.855 4.809 -1.581 1.00 52.20 H new ATOM 783 N GLN A 48 -8.453 7.799 -6.648 1.00 35.42 N ATOM 784 CA GLN A 48 -9.286 8.502 -7.624 1.00 54.53 C ATOM 785 C GLN A 48 -8.906 8.090 -9.037 1.00 1.23 C ATOM 786 O GLN A 48 -9.765 7.928 -9.901 1.00 62.31 O ATOM 787 CB GLN A 48 -9.159 10.026 -7.480 1.00 63.04 C ATOM 788 CG GLN A 48 -9.509 10.565 -6.099 1.00 33.40 C ATOM 789 CD GLN A 48 -10.832 10.042 -5.578 1.00 31.33 C ATOM 790 OE1 GLN A 48 -11.890 10.618 -5.838 1.00 20.20 O ATOM 791 NE2 GLN A 48 -10.780 8.968 -4.814 1.00 53.04 N ATOM 0 H GLN A 48 -7.852 8.405 -6.089 1.00 35.42 H new ATOM 0 HA GLN A 48 -10.322 8.226 -7.430 1.00 54.53 H new ATOM 0 HB2 GLN A 48 -8.136 10.316 -7.720 1.00 63.04 H new ATOM 0 HB3 GLN A 48 -9.807 10.502 -8.216 1.00 63.04 H new ATOM 0 HG2 GLN A 48 -8.718 10.297 -5.399 1.00 33.40 H new ATOM 0 HG3 GLN A 48 -9.545 11.654 -6.138 1.00 33.40 H new ATOM 0 HE21 GLN A 48 -9.883 8.521 -4.623 1.00 53.04 H new ATOM 0 HE22 GLN A 48 -11.636 8.585 -4.414 1.00 53.04 H new ATOM 800 N LYS A 49 -7.610 7.897 -9.262 1.00 64.31 N ATOM 801 CA LYS A 49 -7.112 7.493 -10.567 1.00 20.52 C ATOM 802 C LYS A 49 -7.622 6.107 -10.925 1.00 34.43 C ATOM 803 O LYS A 49 -7.901 5.817 -12.089 1.00 55.11 O ATOM 804 CB LYS A 49 -5.584 7.510 -10.593 1.00 1.33 C ATOM 805 CG LYS A 49 -4.980 8.843 -10.179 1.00 45.15 C ATOM 806 CD LYS A 49 -3.481 8.884 -10.418 1.00 24.00 C ATOM 807 CE LYS A 49 -3.151 8.851 -11.904 1.00 33.34 C ATOM 808 NZ LYS A 49 -3.747 10.002 -12.636 1.00 73.24 N ATOM 0 H LYS A 49 -6.886 8.015 -8.553 1.00 64.31 H new ATOM 0 HA LYS A 49 -7.480 8.206 -11.305 1.00 20.52 H new ATOM 0 HB2 LYS A 49 -5.210 6.730 -9.930 1.00 1.33 H new ATOM 0 HB3 LYS A 49 -5.244 7.264 -11.599 1.00 1.33 H new ATOM 0 HG2 LYS A 49 -5.459 9.648 -10.737 1.00 45.15 H new ATOM 0 HG3 LYS A 49 -5.184 9.022 -9.123 1.00 45.15 H new ATOM 0 HD2 LYS A 49 -3.065 9.787 -9.972 1.00 24.00 H new ATOM 0 HD3 LYS A 49 -3.009 8.037 -9.921 1.00 24.00 H new ATOM 0 HE2 LYS A 49 -2.069 8.860 -12.035 1.00 33.34 H new ATOM 0 HE3 LYS A 49 -3.517 7.919 -12.335 1.00 33.34 H new ATOM 0 HZ1 LYS A 49 -3.222 10.161 -13.520 1.00 73.24 H new ATOM 0 HZ2 LYS A 49 -4.742 9.795 -12.857 1.00 73.24 H new ATOM 0 HZ3 LYS A 49 -3.694 10.855 -12.044 1.00 73.24 H new ATOM 822 N ILE A 50 -7.748 5.260 -9.914 1.00 32.11 N ATOM 823 CA ILE A 50 -8.243 3.904 -10.099 1.00 71.43 C ATOM 824 C ILE A 50 -9.733 3.926 -10.433 1.00 50.14 C ATOM 825 O ILE A 50 -10.185 3.259 -11.364 1.00 23.40 O ATOM 826 CB ILE A 50 -8.031 3.054 -8.825 1.00 30.03 C ATOM 827 CG1 ILE A 50 -6.571 3.111 -8.378 1.00 61.32 C ATOM 828 CG2 ILE A 50 -8.454 1.613 -9.071 1.00 64.53 C ATOM 829 CD1 ILE A 50 -6.315 2.431 -7.052 1.00 35.14 C ATOM 0 H ILE A 50 -7.512 5.491 -8.949 1.00 32.11 H new ATOM 0 HA ILE A 50 -7.683 3.459 -10.922 1.00 71.43 H new ATOM 0 HB ILE A 50 -8.651 3.467 -8.030 1.00 30.03 H new ATOM 0 HG12 ILE A 50 -5.948 2.645 -9.142 1.00 61.32 H new ATOM 0 HG13 ILE A 50 -6.262 4.154 -8.307 1.00 61.32 H new ATOM 0 HG21 ILE A 50 -8.298 1.028 -8.164 1.00 64.53 H new ATOM 0 HG22 ILE A 50 -9.509 1.585 -9.344 1.00 64.53 H new ATOM 0 HG23 ILE A 50 -7.858 1.192 -9.881 1.00 64.53 H new ATOM 0 HD11 ILE A 50 -5.258 2.512 -6.800 1.00 35.14 H new ATOM 0 HD12 ILE A 50 -6.911 2.911 -6.276 1.00 35.14 H new ATOM 0 HD13 ILE A 50 -6.592 1.379 -7.123 1.00 35.14 H new ATOM 841 N LYS A 51 -10.486 4.712 -9.671 1.00 0.03 N ATOM 842 CA LYS A 51 -11.928 4.832 -9.870 1.00 32.33 C ATOM 843 C LYS A 51 -12.246 5.486 -11.211 1.00 63.30 C ATOM 844 O LYS A 51 -13.165 5.066 -11.914 1.00 74.51 O ATOM 845 CB LYS A 51 -12.563 5.633 -8.730 1.00 63.33 C ATOM 846 CG LYS A 51 -12.416 4.990 -7.354 1.00 64.00 C ATOM 847 CD LYS A 51 -13.089 3.621 -7.288 1.00 34.24 C ATOM 848 CE LYS A 51 -14.591 3.719 -7.525 1.00 42.21 C ATOM 849 NZ LYS A 51 -15.250 2.396 -7.436 1.00 1.31 N ATOM 0 H LYS A 51 -10.120 5.279 -8.906 1.00 0.03 H new ATOM 0 HA LYS A 51 -12.349 3.827 -9.872 1.00 32.33 H new ATOM 0 HB2 LYS A 51 -12.113 6.626 -8.704 1.00 63.33 H new ATOM 0 HB3 LYS A 51 -13.623 5.769 -8.943 1.00 63.33 H new ATOM 0 HG2 LYS A 51 -11.358 4.886 -7.114 1.00 64.00 H new ATOM 0 HG3 LYS A 51 -12.851 5.645 -6.599 1.00 64.00 H new ATOM 0 HD2 LYS A 51 -12.645 2.961 -8.034 1.00 34.24 H new ATOM 0 HD3 LYS A 51 -12.903 3.171 -6.313 1.00 34.24 H new ATOM 0 HE2 LYS A 51 -15.031 4.394 -6.791 1.00 42.21 H new ATOM 0 HE3 LYS A 51 -14.776 4.152 -8.508 1.00 42.21 H new ATOM 0 HZ1 LYS A 51 -16.271 2.505 -7.603 1.00 1.31 H new ATOM 0 HZ2 LYS A 51 -14.848 1.759 -8.153 1.00 1.31 H new ATOM 0 HZ3 LYS A 51 -15.095 1.994 -6.489 1.00 1.31 H new ATOM 863 N SER A 52 -11.481 6.509 -11.560 1.00 60.52 N ATOM 864 CA SER A 52 -11.662 7.204 -12.823 1.00 32.12 C ATOM 865 C SER A 52 -11.222 6.313 -13.991 1.00 21.43 C ATOM 866 O SER A 52 -11.678 6.483 -15.126 1.00 0.31 O ATOM 867 CB SER A 52 -10.870 8.525 -12.815 1.00 43.44 C ATOM 868 OG SER A 52 -11.071 9.268 -14.011 1.00 21.04 O ATOM 0 H SER A 52 -10.725 6.877 -10.982 1.00 60.52 H new ATOM 0 HA SER A 52 -12.720 7.434 -12.952 1.00 32.12 H new ATOM 0 HB2 SER A 52 -11.174 9.126 -11.958 1.00 43.44 H new ATOM 0 HB3 SER A 52 -9.808 8.311 -12.694 1.00 43.44 H new ATOM 0 HG SER A 52 -10.555 10.100 -13.970 1.00 21.04 H new ATOM 874 N GLY A 53 -10.349 5.355 -13.699 1.00 51.22 N ATOM 875 CA GLY A 53 -9.867 4.450 -14.719 1.00 44.41 C ATOM 876 C GLY A 53 -8.777 5.070 -15.559 1.00 64.32 C ATOM 877 O GLY A 53 -8.671 4.797 -16.753 1.00 23.45 O ATOM 0 H GLY A 53 -9.966 5.191 -12.768 1.00 51.22 H new ATOM 0 HA2 GLY A 53 -9.489 3.542 -14.249 1.00 44.41 H new ATOM 0 HA3 GLY A 53 -10.696 4.155 -15.362 1.00 44.41 H new ATOM 881 N GLU A 54 -7.961 5.903 -14.934 1.00 40.13 N ATOM 882 CA GLU A 54 -6.890 6.583 -15.638 1.00 53.41 C ATOM 883 C GLU A 54 -5.718 5.648 -15.862 1.00 53.44 C ATOM 884 O GLU A 54 -5.309 5.407 -17.001 1.00 72.01 O ATOM 885 CB GLU A 54 -6.421 7.807 -14.857 1.00 42.45 C ATOM 886 CG GLU A 54 -7.534 8.752 -14.469 1.00 75.45 C ATOM 887 CD GLU A 54 -7.020 10.015 -13.826 1.00 45.12 C ATOM 888 OE1 GLU A 54 -6.408 9.931 -12.744 1.00 3.25 O ATOM 889 OE2 GLU A 54 -7.232 11.101 -14.395 1.00 40.11 O ATOM 0 H GLU A 54 -8.021 6.124 -13.940 1.00 40.13 H new ATOM 0 HA GLU A 54 -7.279 6.905 -16.604 1.00 53.41 H new ATOM 0 HB2 GLU A 54 -5.909 7.475 -13.954 1.00 42.45 H new ATOM 0 HB3 GLU A 54 -5.690 8.350 -15.456 1.00 42.45 H new ATOM 0 HG2 GLU A 54 -8.114 9.009 -15.356 1.00 75.45 H new ATOM 0 HG3 GLU A 54 -8.212 8.247 -13.780 1.00 75.45 H new ATOM 896 N GLU A 55 -5.187 5.115 -14.775 1.00 4.21 N ATOM 897 CA GLU A 55 -4.033 4.245 -14.843 1.00 41.12 C ATOM 898 C GLU A 55 -4.222 3.014 -13.975 1.00 40.14 C ATOM 899 O GLU A 55 -5.237 2.871 -13.285 1.00 33.41 O ATOM 900 CB GLU A 55 -2.763 4.999 -14.432 1.00 64.40 C ATOM 901 CG GLU A 55 -2.413 6.160 -15.350 1.00 13.33 C ATOM 902 CD GLU A 55 -1.126 6.840 -14.962 1.00 62.52 C ATOM 903 OE1 GLU A 55 -1.165 7.767 -14.139 1.00 43.44 O ATOM 904 OE2 GLU A 55 -0.059 6.445 -15.481 1.00 40.21 O ATOM 0 H GLU A 55 -5.541 5.273 -13.832 1.00 4.21 H new ATOM 0 HA GLU A 55 -3.924 3.916 -15.876 1.00 41.12 H new ATOM 0 HB2 GLU A 55 -2.888 5.376 -13.417 1.00 64.40 H new ATOM 0 HB3 GLU A 55 -1.927 4.300 -14.412 1.00 64.40 H new ATOM 0 HG2 GLU A 55 -2.333 5.796 -16.374 1.00 13.33 H new ATOM 0 HG3 GLU A 55 -3.224 6.889 -15.333 1.00 13.33 H new ATOM 911 N ASP A 56 -3.243 2.134 -14.014 1.00 4.12 N ATOM 912 CA ASP A 56 -3.281 0.893 -13.257 1.00 45.33 C ATOM 913 C ASP A 56 -2.726 1.096 -11.864 1.00 73.14 C ATOM 914 O ASP A 56 -1.766 1.850 -11.675 1.00 20.22 O ATOM 915 CB ASP A 56 -2.452 -0.190 -13.959 1.00 72.23 C ATOM 916 CG ASP A 56 -3.017 -0.621 -15.293 1.00 41.03 C ATOM 917 OD1 ASP A 56 -2.854 0.123 -16.288 1.00 54.14 O ATOM 918 OD2 ASP A 56 -3.606 -1.723 -15.362 1.00 51.15 O ATOM 0 H ASP A 56 -2.397 2.256 -14.571 1.00 4.12 H new ATOM 0 HA ASP A 56 -4.323 0.579 -13.193 1.00 45.33 H new ATOM 0 HB2 ASP A 56 -1.438 0.181 -14.107 1.00 72.23 H new ATOM 0 HB3 ASP A 56 -2.381 -1.060 -13.307 1.00 72.23 H new ATOM 923 N PHE A 57 -3.319 0.417 -10.892 1.00 53.34 N ATOM 924 CA PHE A 57 -2.838 0.464 -9.517 1.00 34.54 C ATOM 925 C PHE A 57 -1.427 -0.095 -9.459 1.00 2.31 C ATOM 926 O PHE A 57 -0.577 0.402 -8.722 1.00 31.34 O ATOM 927 CB PHE A 57 -3.769 -0.341 -8.597 1.00 12.02 C ATOM 928 CG PHE A 57 -3.280 -0.461 -7.175 1.00 34.31 C ATOM 929 CD1 PHE A 57 -3.310 0.628 -6.322 1.00 50.52 C ATOM 930 CD2 PHE A 57 -2.798 -1.669 -6.692 1.00 23.12 C ATOM 931 CE1 PHE A 57 -2.870 0.518 -5.019 1.00 11.44 C ATOM 932 CE2 PHE A 57 -2.355 -1.784 -5.389 1.00 50.10 C ATOM 933 CZ PHE A 57 -2.392 -0.689 -4.552 1.00 1.11 C ATOM 0 H PHE A 57 -4.138 -0.176 -11.031 1.00 53.34 H new ATOM 0 HA PHE A 57 -2.830 1.499 -9.174 1.00 34.54 H new ATOM 0 HB2 PHE A 57 -4.752 0.129 -8.593 1.00 12.02 H new ATOM 0 HB3 PHE A 57 -3.895 -1.341 -9.012 1.00 12.02 H new ATOM 0 HD1 PHE A 57 -3.683 1.576 -6.681 1.00 50.52 H new ATOM 0 HD2 PHE A 57 -2.769 -2.530 -7.343 1.00 23.12 H new ATOM 0 HE1 PHE A 57 -2.900 1.377 -4.365 1.00 11.44 H new ATOM 0 HE2 PHE A 57 -1.980 -2.730 -5.026 1.00 50.10 H new ATOM 0 HZ PHE A 57 -2.047 -0.776 -3.532 1.00 1.11 H new ATOM 943 N GLU A 58 -1.189 -1.123 -10.267 1.00 14.33 N ATOM 944 CA GLU A 58 0.117 -1.753 -10.363 1.00 45.10 C ATOM 945 C GLU A 58 1.169 -0.730 -10.783 1.00 70.00 C ATOM 946 O GLU A 58 2.241 -0.651 -10.190 1.00 63.52 O ATOM 947 CB GLU A 58 0.073 -2.901 -11.375 1.00 4.13 C ATOM 948 CG GLU A 58 -0.933 -3.991 -11.037 1.00 41.22 C ATOM 949 CD GLU A 58 -1.021 -5.053 -12.113 1.00 44.35 C ATOM 950 OE1 GLU A 58 -1.804 -4.871 -13.075 1.00 64.14 O ATOM 951 OE2 GLU A 58 -0.317 -6.079 -12.008 1.00 44.02 O ATOM 0 H GLU A 58 -1.897 -1.540 -10.872 1.00 14.33 H new ATOM 0 HA GLU A 58 0.385 -2.151 -9.384 1.00 45.10 H new ATOM 0 HB2 GLU A 58 -0.165 -2.495 -12.358 1.00 4.13 H new ATOM 0 HB3 GLU A 58 1.065 -3.347 -11.445 1.00 4.13 H new ATOM 0 HG2 GLU A 58 -0.654 -4.458 -10.092 1.00 41.22 H new ATOM 0 HG3 GLU A 58 -1.916 -3.542 -10.893 1.00 41.22 H new ATOM 958 N SER A 59 0.841 0.063 -11.798 1.00 60.14 N ATOM 959 CA SER A 59 1.748 1.081 -12.304 1.00 51.51 C ATOM 960 C SER A 59 1.982 2.165 -11.250 1.00 44.12 C ATOM 961 O SER A 59 3.120 2.590 -11.020 1.00 65.20 O ATOM 962 CB SER A 59 1.186 1.701 -13.590 1.00 12.41 C ATOM 963 OG SER A 59 2.124 2.576 -14.193 1.00 24.02 O ATOM 0 H SER A 59 -0.053 0.017 -12.287 1.00 60.14 H new ATOM 0 HA SER A 59 2.704 0.610 -12.531 1.00 51.51 H new ATOM 0 HB2 SER A 59 0.920 0.910 -14.291 1.00 12.41 H new ATOM 0 HB3 SER A 59 0.270 2.247 -13.363 1.00 12.41 H new ATOM 0 HG SER A 59 1.739 2.955 -15.011 1.00 24.02 H new ATOM 969 N LEU A 60 0.902 2.597 -10.602 1.00 44.32 N ATOM 970 CA LEU A 60 0.983 3.619 -9.567 1.00 52.33 C ATOM 971 C LEU A 60 1.876 3.160 -8.420 1.00 64.44 C ATOM 972 O LEU A 60 2.739 3.905 -7.959 1.00 64.42 O ATOM 973 CB LEU A 60 -0.415 3.965 -9.039 1.00 4.45 C ATOM 974 CG LEU A 60 -1.382 4.582 -10.056 1.00 2.03 C ATOM 975 CD1 LEU A 60 -2.763 4.753 -9.444 1.00 35.22 C ATOM 976 CD2 LEU A 60 -0.854 5.920 -10.554 1.00 13.10 C ATOM 0 H LEU A 60 -0.042 2.252 -10.778 1.00 44.32 H new ATOM 0 HA LEU A 60 1.421 4.513 -10.011 1.00 52.33 H new ATOM 0 HB2 LEU A 60 -0.867 3.056 -8.642 1.00 4.45 H new ATOM 0 HB3 LEU A 60 -0.306 4.658 -8.204 1.00 4.45 H new ATOM 0 HG LEU A 60 -1.462 3.904 -10.906 1.00 2.03 H new ATOM 0 HD11 LEU A 60 -3.436 5.192 -10.181 1.00 35.22 H new ATOM 0 HD12 LEU A 60 -3.147 3.781 -9.136 1.00 35.22 H new ATOM 0 HD13 LEU A 60 -2.698 5.409 -8.576 1.00 35.22 H new ATOM 0 HD21 LEU A 60 -1.554 6.342 -11.275 1.00 13.10 H new ATOM 0 HD22 LEU A 60 -0.744 6.604 -9.712 1.00 13.10 H new ATOM 0 HD23 LEU A 60 0.115 5.774 -11.032 1.00 13.10 H new ATOM 988 N ALA A 61 1.679 1.925 -7.983 1.00 15.43 N ATOM 989 CA ALA A 61 2.453 1.364 -6.884 1.00 72.14 C ATOM 990 C ALA A 61 3.914 1.151 -7.271 1.00 2.13 C ATOM 991 O ALA A 61 4.800 1.268 -6.440 1.00 53.54 O ATOM 992 CB ALA A 61 1.833 0.056 -6.413 1.00 11.44 C ATOM 0 H ALA A 61 0.985 1.288 -8.375 1.00 15.43 H new ATOM 0 HA ALA A 61 2.431 2.083 -6.065 1.00 72.14 H new ATOM 0 HB1 ALA A 61 2.423 -0.351 -5.592 1.00 11.44 H new ATOM 0 HB2 ALA A 61 0.814 0.238 -6.073 1.00 11.44 H new ATOM 0 HB3 ALA A 61 1.818 -0.657 -7.237 1.00 11.44 H new ATOM 998 N SER A 62 4.158 0.860 -8.537 1.00 44.24 N ATOM 999 CA SER A 62 5.514 0.608 -9.010 1.00 65.34 C ATOM 1000 C SER A 62 6.342 1.889 -9.090 1.00 4.21 C ATOM 1001 O SER A 62 7.573 1.843 -9.055 1.00 75.13 O ATOM 1002 CB SER A 62 5.483 -0.067 -10.383 1.00 63.31 C ATOM 1003 OG SER A 62 4.787 -1.302 -10.334 1.00 34.21 O ATOM 0 H SER A 62 3.439 0.792 -9.257 1.00 44.24 H new ATOM 0 HA SER A 62 5.987 -0.054 -8.285 1.00 65.34 H new ATOM 0 HB2 SER A 62 5.004 0.594 -11.105 1.00 63.31 H new ATOM 0 HB3 SER A 62 6.502 -0.235 -10.731 1.00 63.31 H new ATOM 0 HG SER A 62 3.861 -1.168 -10.626 1.00 34.21 H new ATOM 1009 N GLN A 63 5.674 3.024 -9.190 1.00 61.22 N ATOM 1010 CA GLN A 63 6.371 4.285 -9.373 1.00 22.33 C ATOM 1011 C GLN A 63 6.220 5.242 -8.194 1.00 45.44 C ATOM 1012 O GLN A 63 7.196 5.835 -7.744 1.00 4.40 O ATOM 1013 CB GLN A 63 5.899 4.956 -10.659 1.00 41.13 C ATOM 1014 CG GLN A 63 6.281 4.189 -11.912 1.00 5.32 C ATOM 1015 CD GLN A 63 5.679 4.769 -13.176 1.00 4.45 C ATOM 1016 OE1 GLN A 63 6.285 4.707 -14.245 1.00 14.54 O ATOM 1017 NE2 GLN A 63 4.479 5.312 -13.074 1.00 1.24 N ATOM 0 H GLN A 63 4.658 3.099 -9.148 1.00 61.22 H new ATOM 0 HA GLN A 63 7.433 4.047 -9.439 1.00 22.33 H new ATOM 0 HB2 GLN A 63 4.815 5.067 -10.626 1.00 41.13 H new ATOM 0 HB3 GLN A 63 6.321 5.960 -10.713 1.00 41.13 H new ATOM 0 HG2 GLN A 63 7.367 4.179 -12.006 1.00 5.32 H new ATOM 0 HG3 GLN A 63 5.960 3.153 -11.807 1.00 5.32 H new ATOM 0 HE21 GLN A 63 4.009 5.344 -12.169 1.00 1.24 H new ATOM 0 HE22 GLN A 63 4.022 5.699 -13.900 1.00 1.24 H new ATOM 1026 N PHE A 64 5.013 5.386 -7.687 1.00 53.12 N ATOM 1027 CA PHE A 64 4.746 6.374 -6.647 1.00 12.41 C ATOM 1028 C PHE A 64 4.515 5.740 -5.279 1.00 24.43 C ATOM 1029 O PHE A 64 3.635 6.166 -4.529 1.00 21.21 O ATOM 1030 CB PHE A 64 3.549 7.237 -7.048 1.00 21.30 C ATOM 1031 CG PHE A 64 3.790 8.055 -8.287 1.00 61.32 C ATOM 1032 CD1 PHE A 64 4.394 9.299 -8.203 1.00 21.22 C ATOM 1033 CD2 PHE A 64 3.418 7.578 -9.534 1.00 22.44 C ATOM 1034 CE1 PHE A 64 4.623 10.052 -9.339 1.00 30.12 C ATOM 1035 CE2 PHE A 64 3.644 8.326 -10.672 1.00 43.22 C ATOM 1036 CZ PHE A 64 4.247 9.564 -10.575 1.00 34.41 C ATOM 0 H PHE A 64 4.202 4.838 -7.972 1.00 53.12 H new ATOM 0 HA PHE A 64 5.634 6.999 -6.555 1.00 12.41 H new ATOM 0 HB2 PHE A 64 2.684 6.593 -7.209 1.00 21.30 H new ATOM 0 HB3 PHE A 64 3.300 7.905 -6.223 1.00 21.30 H new ATOM 0 HD1 PHE A 64 4.689 9.685 -7.238 1.00 21.22 H new ATOM 0 HD2 PHE A 64 2.946 6.610 -9.616 1.00 22.44 H new ATOM 0 HE1 PHE A 64 5.095 11.020 -9.260 1.00 30.12 H new ATOM 0 HE2 PHE A 64 3.349 7.943 -11.638 1.00 43.22 H new ATOM 0 HZ PHE A 64 4.424 10.150 -11.465 1.00 34.41 H new ATOM 1046 N SER A 65 5.315 4.745 -4.948 1.00 20.02 N ATOM 1047 CA SER A 65 5.219 4.096 -3.656 1.00 62.23 C ATOM 1048 C SER A 65 6.597 3.977 -3.018 1.00 4.24 C ATOM 1049 O SER A 65 7.556 3.546 -3.664 1.00 31.45 O ATOM 1050 CB SER A 65 4.575 2.713 -3.792 1.00 72.24 C ATOM 1051 OG SER A 65 4.422 2.092 -2.525 1.00 41.21 O ATOM 0 H SER A 65 6.040 4.368 -5.558 1.00 20.02 H new ATOM 0 HA SER A 65 4.587 4.708 -3.012 1.00 62.23 H new ATOM 0 HB2 SER A 65 3.602 2.808 -4.274 1.00 72.24 H new ATOM 0 HB3 SER A 65 5.190 2.084 -4.436 1.00 72.24 H new ATOM 0 HG SER A 65 4.479 2.770 -1.819 1.00 41.21 H new ATOM 1057 N ASP A 66 6.693 4.363 -1.754 1.00 24.42 N ATOM 1058 CA ASP A 66 7.949 4.291 -1.019 1.00 14.53 C ATOM 1059 C ASP A 66 8.140 2.891 -0.460 1.00 74.33 C ATOM 1060 O ASP A 66 7.837 2.635 0.708 1.00 31.13 O ATOM 1061 CB ASP A 66 7.971 5.286 0.149 1.00 1.01 C ATOM 1062 CG ASP A 66 7.574 6.693 -0.223 1.00 4.33 C ATOM 1063 OD1 ASP A 66 8.347 7.377 -0.913 1.00 61.12 O ATOM 1064 OD2 ASP A 66 6.487 7.131 0.206 1.00 22.54 O ATOM 0 H ASP A 66 5.911 4.732 -1.213 1.00 24.42 H new ATOM 0 HA ASP A 66 8.752 4.539 -1.713 1.00 14.53 H new ATOM 0 HB2 ASP A 66 7.300 4.927 0.929 1.00 1.01 H new ATOM 0 HB3 ASP A 66 8.974 5.305 0.575 1.00 1.01 H new ATOM 1069 N CYS A 67 8.606 1.982 -1.291 1.00 51.24 N ATOM 1070 CA CYS A 67 8.818 0.613 -0.870 1.00 31.15 C ATOM 1071 C CYS A 67 9.639 -0.138 -1.909 1.00 62.21 C ATOM 1072 O CYS A 67 9.572 0.166 -3.102 1.00 53.51 O ATOM 1073 CB CYS A 67 7.469 -0.088 -0.652 1.00 14.35 C ATOM 1074 SG CYS A 67 7.584 -1.706 0.147 1.00 22.24 S ATOM 0 H CYS A 67 8.846 2.167 -2.265 1.00 51.24 H new ATOM 0 HA CYS A 67 9.368 0.618 0.071 1.00 31.15 H new ATOM 0 HB2 CYS A 67 6.832 0.557 -0.047 1.00 14.35 H new ATOM 0 HB3 CYS A 67 6.976 -0.208 -1.617 1.00 14.35 H new ATOM 0 HG CYS A 67 7.065 -2.611 -0.629 1.00 22.24 H new ATOM 1080 N SER A 68 10.411 -1.115 -1.458 1.00 10.10 N ATOM 1081 CA SER A 68 11.229 -1.917 -2.351 1.00 12.54 C ATOM 1082 C SER A 68 10.367 -2.892 -3.157 1.00 64.11 C ATOM 1083 O SER A 68 10.760 -3.343 -4.225 1.00 0.14 O ATOM 1084 CB SER A 68 12.287 -2.678 -1.554 1.00 61.35 C ATOM 1085 OG SER A 68 13.086 -1.785 -0.786 1.00 15.51 O ATOM 0 H SER A 68 10.487 -1.371 -0.474 1.00 10.10 H new ATOM 0 HA SER A 68 11.727 -1.247 -3.052 1.00 12.54 H new ATOM 0 HB2 SER A 68 11.803 -3.398 -0.894 1.00 61.35 H new ATOM 0 HB3 SER A 68 12.921 -3.246 -2.234 1.00 61.35 H new ATOM 0 HG SER A 68 13.755 -2.295 -0.283 1.00 15.51 H new ATOM 1091 N SER A 69 9.180 -3.194 -2.644 1.00 45.51 N ATOM 1092 CA SER A 69 8.267 -4.112 -3.319 1.00 75.45 C ATOM 1093 C SER A 69 7.578 -3.435 -4.507 1.00 51.25 C ATOM 1094 O SER A 69 6.887 -4.087 -5.294 1.00 73.42 O ATOM 1095 CB SER A 69 7.232 -4.678 -2.338 1.00 4.24 C ATOM 1096 OG SER A 69 6.492 -3.643 -1.706 1.00 23.23 O ATOM 0 H SER A 69 8.827 -2.818 -1.764 1.00 45.51 H new ATOM 0 HA SER A 69 8.858 -4.943 -3.705 1.00 75.45 H new ATOM 0 HB2 SER A 69 6.550 -5.341 -2.870 1.00 4.24 H new ATOM 0 HB3 SER A 69 7.737 -5.279 -1.582 1.00 4.24 H new ATOM 0 HG SER A 69 5.542 -3.883 -1.691 1.00 23.23 H new ATOM 1102 N ALA A 70 7.763 -2.118 -4.621 1.00 50.12 N ATOM 1103 CA ALA A 70 7.177 -1.340 -5.706 1.00 41.42 C ATOM 1104 C ALA A 70 7.628 -1.867 -7.066 1.00 21.33 C ATOM 1105 O ALA A 70 6.862 -1.873 -8.020 1.00 34.23 O ATOM 1106 CB ALA A 70 7.542 0.128 -5.558 1.00 2.35 C ATOM 0 H ALA A 70 8.320 -1.567 -3.967 1.00 50.12 H new ATOM 0 HA ALA A 70 6.093 -1.441 -5.649 1.00 41.42 H new ATOM 0 HB1 ALA A 70 7.098 0.697 -6.375 1.00 2.35 H new ATOM 0 HB2 ALA A 70 7.164 0.503 -4.607 1.00 2.35 H new ATOM 0 HB3 ALA A 70 8.626 0.238 -5.586 1.00 2.35 H new ATOM 1112 N LYS A 71 8.868 -2.346 -7.137 1.00 41.11 N ATOM 1113 CA LYS A 71 9.418 -2.884 -8.385 1.00 25.44 C ATOM 1114 C LYS A 71 8.733 -4.204 -8.774 1.00 30.34 C ATOM 1115 O LYS A 71 9.019 -4.780 -9.826 1.00 13.22 O ATOM 1116 CB LYS A 71 10.936 -3.088 -8.261 1.00 73.30 C ATOM 1117 CG LYS A 71 11.342 -4.059 -7.164 1.00 53.41 C ATOM 1118 CD LYS A 71 12.853 -4.131 -7.009 1.00 33.51 C ATOM 1119 CE LYS A 71 13.243 -5.053 -5.863 1.00 41.13 C ATOM 1120 NZ LYS A 71 14.710 -5.075 -5.638 1.00 61.43 N ATOM 0 H LYS A 71 9.513 -2.374 -6.347 1.00 41.11 H new ATOM 0 HA LYS A 71 9.224 -2.158 -9.174 1.00 25.44 H new ATOM 0 HB2 LYS A 71 11.323 -3.450 -9.214 1.00 73.30 H new ATOM 0 HB3 LYS A 71 11.408 -2.124 -8.071 1.00 73.30 H new ATOM 0 HG2 LYS A 71 10.893 -3.750 -6.220 1.00 53.41 H new ATOM 0 HG3 LYS A 71 10.952 -5.051 -7.393 1.00 53.41 H new ATOM 0 HD2 LYS A 71 13.300 -4.489 -7.936 1.00 33.51 H new ATOM 0 HD3 LYS A 71 13.251 -3.133 -6.828 1.00 33.51 H new ATOM 0 HE2 LYS A 71 12.742 -4.729 -4.951 1.00 41.13 H new ATOM 0 HE3 LYS A 71 12.894 -6.063 -6.077 1.00 41.13 H new ATOM 0 HZ1 LYS A 71 14.931 -5.715 -4.849 1.00 61.43 H new ATOM 0 HZ2 LYS A 71 15.188 -5.409 -6.499 1.00 61.43 H new ATOM 0 HZ3 LYS A 71 15.040 -4.116 -5.408 1.00 61.43 H new ATOM 1134 N ALA A 72 7.840 -4.676 -7.913 1.00 1.41 N ATOM 1135 CA ALA A 72 7.090 -5.896 -8.157 1.00 35.43 C ATOM 1136 C ALA A 72 5.604 -5.580 -8.307 1.00 41.54 C ATOM 1137 O ALA A 72 4.750 -6.450 -8.112 1.00 65.34 O ATOM 1138 CB ALA A 72 7.312 -6.886 -7.019 1.00 43.35 C ATOM 0 H ALA A 72 7.617 -4.222 -7.027 1.00 1.41 H new ATOM 0 HA ALA A 72 7.444 -6.347 -9.084 1.00 35.43 H new ATOM 0 HB1 ALA A 72 6.745 -7.796 -7.213 1.00 43.35 H new ATOM 0 HB2 ALA A 72 8.373 -7.127 -6.948 1.00 43.35 H new ATOM 0 HB3 ALA A 72 6.977 -6.443 -6.081 1.00 43.35 H new ATOM 1144 N ARG A 73 5.310 -4.313 -8.649 1.00 22.23 N ATOM 1145 CA ARG A 73 3.929 -3.822 -8.855 1.00 22.40 C ATOM 1146 C ARG A 73 3.175 -3.681 -7.544 1.00 63.43 C ATOM 1147 O ARG A 73 1.979 -3.393 -7.536 1.00 43.31 O ATOM 1148 CB ARG A 73 3.144 -4.728 -9.809 1.00 11.14 C ATOM 1149 CG ARG A 73 3.688 -4.767 -11.218 1.00 32.33 C ATOM 1150 CD ARG A 73 2.871 -5.702 -12.085 1.00 50.12 C ATOM 1151 NE ARG A 73 3.289 -5.671 -13.484 1.00 65.13 N ATOM 1152 CZ ARG A 73 2.491 -5.983 -14.506 1.00 30.22 C ATOM 1153 NH1 ARG A 73 1.220 -6.307 -14.286 1.00 14.13 N ATOM 1154 NH2 ARG A 73 2.958 -5.955 -15.748 1.00 14.22 N ATOM 0 H ARG A 73 6.022 -3.597 -8.791 1.00 22.23 H new ATOM 0 HA ARG A 73 4.019 -2.834 -9.307 1.00 22.40 H new ATOM 0 HB2 ARG A 73 3.137 -5.741 -9.406 1.00 11.14 H new ATOM 0 HB3 ARG A 73 2.108 -4.391 -9.841 1.00 11.14 H new ATOM 0 HG2 ARG A 73 3.676 -3.764 -11.645 1.00 32.33 H new ATOM 0 HG3 ARG A 73 4.728 -5.094 -11.202 1.00 32.33 H new ATOM 0 HD2 ARG A 73 2.962 -6.719 -11.704 1.00 50.12 H new ATOM 0 HD3 ARG A 73 1.818 -5.429 -12.017 1.00 50.12 H new ATOM 0 HE ARG A 73 4.248 -5.394 -13.692 1.00 65.13 H new ATOM 0 HH11 ARG A 73 0.854 -6.317 -13.334 1.00 14.13 H new ATOM 0 HH12 ARG A 73 0.612 -6.545 -15.069 1.00 14.13 H new ATOM 0 HH21 ARG A 73 3.929 -5.695 -15.922 1.00 14.22 H new ATOM 0 HH22 ARG A 73 2.346 -6.194 -16.528 1.00 14.22 H new ATOM 1168 N GLY A 74 3.870 -3.884 -6.442 1.00 74.01 N ATOM 1169 CA GLY A 74 3.237 -3.795 -5.148 1.00 41.51 C ATOM 1170 C GLY A 74 2.605 -5.108 -4.737 1.00 73.13 C ATOM 1171 O GLY A 74 2.159 -5.264 -3.600 1.00 35.20 O ATOM 0 H GLY A 74 4.864 -4.110 -6.419 1.00 74.01 H new ATOM 0 HA2 GLY A 74 3.975 -3.498 -4.403 1.00 41.51 H new ATOM 0 HA3 GLY A 74 2.475 -3.016 -5.170 1.00 41.51 H new ATOM 1175 N ASP A 75 2.564 -6.051 -5.662 1.00 3.30 N ATOM 1176 CA ASP A 75 2.000 -7.365 -5.397 1.00 72.34 C ATOM 1177 C ASP A 75 2.993 -8.194 -4.610 1.00 75.31 C ATOM 1178 O ASP A 75 4.151 -8.321 -5.003 1.00 42.35 O ATOM 1179 CB ASP A 75 1.648 -8.068 -6.707 1.00 43.45 C ATOM 1180 CG ASP A 75 0.888 -9.363 -6.495 1.00 24.23 C ATOM 1181 OD1 ASP A 75 1.532 -10.420 -6.339 1.00 71.24 O ATOM 1182 OD2 ASP A 75 -0.361 -9.335 -6.504 1.00 45.12 O ATOM 0 H ASP A 75 2.917 -5.930 -6.611 1.00 3.30 H new ATOM 0 HA ASP A 75 1.087 -7.248 -4.813 1.00 72.34 H new ATOM 0 HB2 ASP A 75 1.049 -7.398 -7.324 1.00 43.45 H new ATOM 0 HB3 ASP A 75 2.564 -8.276 -7.259 1.00 43.45 H new ATOM 1187 N LEU A 76 2.552 -8.741 -3.496 1.00 64.10 N ATOM 1188 CA LEU A 76 3.430 -9.524 -2.635 1.00 30.21 C ATOM 1189 C LEU A 76 3.220 -11.015 -2.829 1.00 75.05 C ATOM 1190 O LEU A 76 3.838 -11.832 -2.133 1.00 21.14 O ATOM 1191 CB LEU A 76 3.192 -9.163 -1.170 1.00 53.54 C ATOM 1192 CG LEU A 76 3.465 -7.711 -0.787 1.00 14.13 C ATOM 1193 CD1 LEU A 76 3.123 -7.481 0.672 1.00 20.04 C ATOM 1194 CD2 LEU A 76 4.919 -7.350 -1.058 1.00 72.52 C ATOM 0 H LEU A 76 1.592 -8.661 -3.161 1.00 64.10 H new ATOM 0 HA LEU A 76 4.457 -9.285 -2.911 1.00 30.21 H new ATOM 0 HB2 LEU A 76 2.156 -9.395 -0.923 1.00 53.54 H new ATOM 0 HB3 LEU A 76 3.819 -9.805 -0.551 1.00 53.54 H new ATOM 0 HG LEU A 76 2.834 -7.066 -1.398 1.00 14.13 H new ATOM 0 HD11 LEU A 76 3.322 -6.442 0.933 1.00 20.04 H new ATOM 0 HD12 LEU A 76 2.068 -7.701 0.838 1.00 20.04 H new ATOM 0 HD13 LEU A 76 3.732 -8.135 1.296 1.00 20.04 H new ATOM 0 HD21 LEU A 76 5.094 -6.311 -0.779 1.00 72.52 H new ATOM 0 HD22 LEU A 76 5.570 -7.998 -0.472 1.00 72.52 H new ATOM 0 HD23 LEU A 76 5.135 -7.482 -2.118 1.00 72.52 H new ATOM 1206 N GLY A 77 2.377 -11.373 -3.781 1.00 63.51 N ATOM 1207 CA GLY A 77 2.068 -12.765 -3.993 1.00 2.20 C ATOM 1208 C GLY A 77 1.282 -13.330 -2.831 1.00 40.44 C ATOM 1209 O GLY A 77 0.630 -12.582 -2.098 1.00 32.40 O ATOM 0 H GLY A 77 1.902 -10.725 -4.409 1.00 63.51 H new ATOM 0 HA2 GLY A 77 1.495 -12.878 -4.913 1.00 2.20 H new ATOM 0 HA3 GLY A 77 2.991 -13.330 -4.121 1.00 2.20 H new ATOM 1213 N ALA A 78 1.330 -14.632 -2.660 1.00 55.32 N ATOM 1214 CA ALA A 78 0.648 -15.264 -1.554 1.00 71.42 C ATOM 1215 C ALA A 78 1.520 -15.198 -0.315 1.00 41.02 C ATOM 1216 O ALA A 78 2.569 -15.848 -0.243 1.00 5.32 O ATOM 1217 CB ALA A 78 0.299 -16.706 -1.893 1.00 50.03 C ATOM 0 H ALA A 78 1.834 -15.273 -3.272 1.00 55.32 H new ATOM 0 HA ALA A 78 -0.283 -14.732 -1.359 1.00 71.42 H new ATOM 0 HB1 ALA A 78 -0.214 -17.165 -1.048 1.00 50.03 H new ATOM 0 HB2 ALA A 78 -0.352 -16.727 -2.767 1.00 50.03 H new ATOM 0 HB3 ALA A 78 1.212 -17.261 -2.107 1.00 50.03 H new ATOM 1223 N PHE A 79 1.101 -14.405 0.645 1.00 51.42 N ATOM 1224 CA PHE A 79 1.860 -14.222 1.867 1.00 42.54 C ATOM 1225 C PHE A 79 1.120 -14.791 3.061 1.00 10.43 C ATOM 1226 O PHE A 79 -0.111 -14.876 3.059 1.00 32.21 O ATOM 1227 CB PHE A 79 2.175 -12.733 2.092 1.00 74.33 C ATOM 1228 CG PHE A 79 0.964 -11.832 2.071 1.00 10.15 C ATOM 1229 CD1 PHE A 79 0.185 -11.659 3.207 1.00 53.31 C ATOM 1230 CD2 PHE A 79 0.607 -11.160 0.913 1.00 33.14 C ATOM 1231 CE1 PHE A 79 -0.923 -10.835 3.185 1.00 13.01 C ATOM 1232 CE2 PHE A 79 -0.498 -10.336 0.887 1.00 31.14 C ATOM 1233 CZ PHE A 79 -1.265 -10.173 2.024 1.00 72.04 C ATOM 0 H PHE A 79 0.232 -13.872 0.605 1.00 51.42 H new ATOM 0 HA PHE A 79 2.799 -14.765 1.761 1.00 42.54 H new ATOM 0 HB2 PHE A 79 2.680 -12.621 3.052 1.00 74.33 H new ATOM 0 HB3 PHE A 79 2.874 -12.401 1.324 1.00 74.33 H new ATOM 0 HD1 PHE A 79 0.449 -12.175 4.119 1.00 53.31 H new ATOM 0 HD2 PHE A 79 1.202 -11.283 0.020 1.00 33.14 H new ATOM 0 HE1 PHE A 79 -1.521 -10.709 4.075 1.00 13.01 H new ATOM 0 HE2 PHE A 79 -0.764 -9.818 -0.023 1.00 31.14 H new ATOM 0 HZ PHE A 79 -2.131 -9.528 2.004 1.00 72.04 H new ATOM 1243 N SER A 80 1.872 -15.187 4.068 1.00 31.11 N ATOM 1244 CA SER A 80 1.302 -15.711 5.285 1.00 12.14 C ATOM 1245 C SER A 80 0.888 -14.563 6.199 1.00 22.13 C ATOM 1246 O SER A 80 1.618 -13.580 6.336 1.00 51.42 O ATOM 1247 CB SER A 80 2.316 -16.609 5.994 1.00 33.14 C ATOM 1248 OG SER A 80 2.785 -17.642 5.136 1.00 30.34 O ATOM 0 H SER A 80 2.891 -15.153 4.063 1.00 31.11 H new ATOM 0 HA SER A 80 0.421 -16.303 5.039 1.00 12.14 H new ATOM 0 HB2 SER A 80 3.159 -16.009 6.337 1.00 33.14 H new ATOM 0 HB3 SER A 80 1.857 -17.050 6.879 1.00 33.14 H new ATOM 0 HG SER A 80 3.433 -18.198 5.617 1.00 30.34 H new ATOM 1254 N ARG A 81 -0.282 -14.690 6.811 1.00 34.25 N ATOM 1255 CA ARG A 81 -0.813 -13.663 7.711 1.00 1.45 C ATOM 1256 C ARG A 81 0.181 -13.314 8.824 1.00 75.23 C ATOM 1257 O ARG A 81 0.416 -12.143 9.105 1.00 4.35 O ATOM 1258 CB ARG A 81 -2.160 -14.111 8.309 1.00 54.10 C ATOM 1259 CG ARG A 81 -2.115 -15.458 9.008 1.00 54.23 C ATOM 1260 CD ARG A 81 -3.471 -15.849 9.569 1.00 32.04 C ATOM 1261 NE ARG A 81 -3.408 -17.123 10.285 1.00 63.54 N ATOM 1262 CZ ARG A 81 -4.460 -17.902 10.547 1.00 30.21 C ATOM 1263 NH1 ARG A 81 -5.678 -17.543 10.154 1.00 24.10 N ATOM 1264 NH2 ARG A 81 -4.287 -19.044 11.199 1.00 0.34 N ATOM 0 H ARG A 81 -0.890 -15.501 6.702 1.00 34.25 H new ATOM 0 HA ARG A 81 -0.974 -12.761 7.121 1.00 1.45 H new ATOM 0 HB2 ARG A 81 -2.498 -13.357 9.020 1.00 54.10 H new ATOM 0 HB3 ARG A 81 -2.902 -14.153 7.512 1.00 54.10 H new ATOM 0 HG2 ARG A 81 -1.779 -16.221 8.306 1.00 54.23 H new ATOM 0 HG3 ARG A 81 -1.384 -15.424 9.816 1.00 54.23 H new ATOM 0 HD2 ARG A 81 -3.826 -15.069 10.243 1.00 32.04 H new ATOM 0 HD3 ARG A 81 -4.194 -15.922 8.757 1.00 32.04 H new ATOM 0 HE ARG A 81 -2.494 -17.439 10.608 1.00 63.54 H new ATOM 0 HH11 ARG A 81 -5.813 -16.667 9.649 1.00 24.10 H new ATOM 0 HH12 ARG A 81 -6.477 -18.143 10.358 1.00 24.10 H new ATOM 0 HH21 ARG A 81 -3.353 -19.324 11.498 1.00 0.34 H new ATOM 0 HH22 ARG A 81 -5.088 -19.642 11.401 1.00 0.34 H new ATOM 1278 N GLY A 82 0.787 -14.336 9.421 1.00 44.41 N ATOM 1279 CA GLY A 82 1.734 -14.122 10.502 1.00 44.42 C ATOM 1280 C GLY A 82 2.992 -13.405 10.054 1.00 71.25 C ATOM 1281 O GLY A 82 3.716 -12.839 10.872 1.00 61.04 O ATOM 0 H GLY A 82 0.638 -15.314 9.174 1.00 44.41 H new ATOM 0 HA2 GLY A 82 1.253 -13.542 11.290 1.00 44.42 H new ATOM 0 HA3 GLY A 82 2.006 -15.084 10.935 1.00 44.42 H new ATOM 1285 N GLN A 83 3.247 -13.423 8.757 1.00 60.31 N ATOM 1286 CA GLN A 83 4.422 -12.780 8.193 1.00 14.55 C ATOM 1287 C GLN A 83 4.073 -11.363 7.734 1.00 62.43 C ATOM 1288 O GLN A 83 4.930 -10.613 7.272 1.00 32.11 O ATOM 1289 CB GLN A 83 4.946 -13.606 7.005 1.00 62.53 C ATOM 1290 CG GLN A 83 6.298 -13.153 6.463 1.00 40.42 C ATOM 1291 CD GLN A 83 7.427 -13.372 7.449 1.00 11.50 C ATOM 1292 OE1 GLN A 83 7.730 -12.506 8.268 1.00 41.03 O ATOM 1293 NE2 GLN A 83 8.058 -14.527 7.375 1.00 34.42 N ATOM 0 H GLN A 83 2.650 -13.881 8.069 1.00 60.31 H new ATOM 0 HA GLN A 83 5.198 -12.721 8.956 1.00 14.55 H new ATOM 0 HB2 GLN A 83 5.023 -14.649 7.311 1.00 62.53 H new ATOM 0 HB3 GLN A 83 4.214 -13.564 6.199 1.00 62.53 H new ATOM 0 HG2 GLN A 83 6.515 -13.694 5.542 1.00 40.42 H new ATOM 0 HG3 GLN A 83 6.246 -12.095 6.206 1.00 40.42 H new ATOM 0 HE21 GLN A 83 7.775 -15.219 6.681 1.00 34.42 H new ATOM 0 HE22 GLN A 83 8.829 -14.729 8.012 1.00 34.42 H new ATOM 1302 N MET A 84 2.818 -11.000 7.887 1.00 71.12 N ATOM 1303 CA MET A 84 2.340 -9.713 7.430 1.00 64.33 C ATOM 1304 C MET A 84 2.084 -8.761 8.602 1.00 13.11 C ATOM 1305 O MET A 84 1.957 -9.191 9.756 1.00 45.25 O ATOM 1306 CB MET A 84 1.071 -9.908 6.588 1.00 63.40 C ATOM 1307 CG MET A 84 0.518 -8.633 5.978 1.00 41.41 C ATOM 1308 SD MET A 84 1.783 -7.650 5.136 1.00 50.43 S ATOM 1309 CE MET A 84 2.386 -8.825 3.925 1.00 24.10 C ATOM 0 H MET A 84 2.106 -11.582 8.327 1.00 71.12 H new ATOM 0 HA MET A 84 3.111 -9.254 6.811 1.00 64.33 H new ATOM 0 HB2 MET A 84 1.287 -10.615 5.787 1.00 63.40 H new ATOM 0 HB3 MET A 84 0.301 -10.360 7.213 1.00 63.40 H new ATOM 0 HG2 MET A 84 -0.269 -8.887 5.269 1.00 41.41 H new ATOM 0 HG3 MET A 84 0.059 -8.031 6.762 1.00 41.41 H new ATOM 0 HE1 MET A 84 3.196 -8.374 3.353 1.00 24.10 H new ATOM 0 HE2 MET A 84 2.753 -9.716 4.434 1.00 24.10 H new ATOM 0 HE3 MET A 84 1.575 -9.101 3.251 1.00 24.10 H new ATOM 1319 N GLN A 85 2.039 -7.465 8.294 1.00 64.23 N ATOM 1320 CA GLN A 85 1.782 -6.425 9.281 1.00 50.10 C ATOM 1321 C GLN A 85 0.390 -6.601 9.873 1.00 35.34 C ATOM 1322 O GLN A 85 -0.539 -6.974 9.166 1.00 31.21 O ATOM 1323 CB GLN A 85 1.897 -5.049 8.621 1.00 15.11 C ATOM 1324 CG GLN A 85 3.243 -4.797 7.961 1.00 20.42 C ATOM 1325 CD GLN A 85 3.282 -3.501 7.177 1.00 34.24 C ATOM 1326 OE1 GLN A 85 2.269 -3.054 6.632 1.00 15.32 O ATOM 1327 NE2 GLN A 85 4.449 -2.895 7.105 1.00 65.31 N ATOM 0 H GLN A 85 2.181 -7.109 7.349 1.00 64.23 H new ATOM 0 HA GLN A 85 2.518 -6.502 10.081 1.00 50.10 H new ATOM 0 HB2 GLN A 85 1.111 -4.948 7.873 1.00 15.11 H new ATOM 0 HB3 GLN A 85 1.722 -4.280 9.373 1.00 15.11 H new ATOM 0 HG2 GLN A 85 4.019 -4.776 8.726 1.00 20.42 H new ATOM 0 HG3 GLN A 85 3.476 -5.627 7.293 1.00 20.42 H new ATOM 0 HE21 GLN A 85 5.262 -3.298 7.570 1.00 65.31 H new ATOM 0 HE22 GLN A 85 4.539 -2.023 6.584 1.00 65.31 H new ATOM 1336 N LYS A 86 0.249 -6.317 11.157 1.00 44.44 N ATOM 1337 CA LYS A 86 -1.028 -6.494 11.856 1.00 64.03 C ATOM 1338 C LYS A 86 -2.171 -5.659 11.229 1.00 64.15 C ATOM 1339 O LYS A 86 -3.219 -6.217 10.894 1.00 53.43 O ATOM 1340 CB LYS A 86 -0.884 -6.200 13.361 1.00 10.03 C ATOM 1341 CG LYS A 86 0.190 -7.031 14.047 1.00 42.25 C ATOM 1342 CD LYS A 86 -0.167 -8.508 14.065 1.00 23.33 C ATOM 1343 CE LYS A 86 0.975 -9.349 14.617 1.00 23.41 C ATOM 1344 NZ LYS A 86 1.357 -8.946 15.996 1.00 53.04 N ATOM 0 H LYS A 86 1.003 -5.961 11.745 1.00 44.44 H new ATOM 0 HA LYS A 86 -1.306 -7.541 11.738 1.00 64.03 H new ATOM 0 HB2 LYS A 86 -0.654 -5.143 13.495 1.00 10.03 H new ATOM 0 HB3 LYS A 86 -1.840 -6.383 13.851 1.00 10.03 H new ATOM 0 HG2 LYS A 86 1.141 -6.893 13.532 1.00 42.25 H new ATOM 0 HG3 LYS A 86 0.326 -6.677 15.069 1.00 42.25 H new ATOM 0 HD2 LYS A 86 -1.060 -8.661 14.672 1.00 23.33 H new ATOM 0 HD3 LYS A 86 -0.408 -8.838 13.055 1.00 23.33 H new ATOM 0 HE2 LYS A 86 0.684 -10.399 14.615 1.00 23.41 H new ATOM 0 HE3 LYS A 86 1.841 -9.257 13.961 1.00 23.41 H new ATOM 0 HZ1 LYS A 86 2.041 -9.629 16.380 1.00 53.04 H new ATOM 0 HZ2 LYS A 86 1.787 -7.999 15.974 1.00 53.04 H new ATOM 0 HZ3 LYS A 86 0.510 -8.928 16.599 1.00 53.04 H new ATOM 1358 N PRO A 87 -1.997 -4.314 11.034 1.00 62.12 N ATOM 1359 CA PRO A 87 -3.051 -3.477 10.441 1.00 4.30 C ATOM 1360 C PRO A 87 -3.337 -3.876 8.999 1.00 71.12 C ATOM 1361 O PRO A 87 -4.457 -3.719 8.504 1.00 74.41 O ATOM 1362 CB PRO A 87 -2.469 -2.053 10.496 1.00 41.42 C ATOM 1363 CG PRO A 87 -1.358 -2.129 11.486 1.00 2.11 C ATOM 1364 CD PRO A 87 -0.803 -3.513 11.369 1.00 73.05 C ATOM 0 HA PRO A 87 -3.998 -3.575 10.971 1.00 4.30 H new ATOM 0 HB2 PRO A 87 -2.105 -1.737 9.518 1.00 41.42 H new ATOM 0 HB3 PRO A 87 -3.224 -1.330 10.804 1.00 41.42 H new ATOM 0 HG2 PRO A 87 -0.593 -1.382 11.274 1.00 2.11 H new ATOM 0 HG3 PRO A 87 -1.720 -1.937 12.496 1.00 2.11 H new ATOM 0 HD2 PRO A 87 -0.040 -3.579 10.593 1.00 73.05 H new ATOM 0 HD3 PRO A 87 -0.341 -3.844 12.299 1.00 73.05 H new ATOM 1372 N PHE A 88 -2.323 -4.406 8.337 1.00 70.01 N ATOM 1373 CA PHE A 88 -2.449 -4.836 6.962 1.00 41.15 C ATOM 1374 C PHE A 88 -3.224 -6.150 6.905 1.00 60.13 C ATOM 1375 O PHE A 88 -4.175 -6.288 6.139 1.00 10.53 O ATOM 1376 CB PHE A 88 -1.058 -4.999 6.336 1.00 54.33 C ATOM 1377 CG PHE A 88 -1.062 -5.134 4.837 1.00 10.33 C ATOM 1378 CD1 PHE A 88 -1.216 -6.371 4.237 1.00 21.23 C ATOM 1379 CD2 PHE A 88 -0.899 -4.022 4.032 1.00 3.20 C ATOM 1380 CE1 PHE A 88 -1.210 -6.498 2.863 1.00 50.40 C ATOM 1381 CE2 PHE A 88 -0.894 -4.142 2.657 1.00 31.25 C ATOM 1382 CZ PHE A 88 -1.050 -5.384 2.073 1.00 21.44 C ATOM 0 H PHE A 88 -1.396 -4.548 8.738 1.00 70.01 H new ATOM 0 HA PHE A 88 -2.996 -4.083 6.394 1.00 41.15 H new ATOM 0 HB2 PHE A 88 -0.447 -4.139 6.609 1.00 54.33 H new ATOM 0 HB3 PHE A 88 -0.580 -5.879 6.766 1.00 54.33 H new ATOM 0 HD1 PHE A 88 -1.343 -7.249 4.852 1.00 21.23 H new ATOM 0 HD2 PHE A 88 -0.774 -3.049 4.484 1.00 3.20 H new ATOM 0 HE1 PHE A 88 -1.331 -7.470 2.409 1.00 50.40 H new ATOM 0 HE2 PHE A 88 -0.768 -3.266 2.038 1.00 31.25 H new ATOM 0 HZ PHE A 88 -1.046 -5.480 0.997 1.00 21.44 H new ATOM 1392 N GLU A 89 -2.815 -7.099 7.744 1.00 70.22 N ATOM 1393 CA GLU A 89 -3.453 -8.413 7.841 1.00 31.42 C ATOM 1394 C GLU A 89 -4.946 -8.271 8.115 1.00 54.24 C ATOM 1395 O GLU A 89 -5.780 -8.860 7.416 1.00 73.25 O ATOM 1396 CB GLU A 89 -2.806 -9.213 8.976 1.00 0.43 C ATOM 1397 CG GLU A 89 -3.426 -10.578 9.212 1.00 14.01 C ATOM 1398 CD GLU A 89 -3.071 -11.146 10.566 1.00 15.42 C ATOM 1399 OE1 GLU A 89 -1.955 -11.665 10.727 1.00 33.03 O ATOM 1400 OE2 GLU A 89 -3.915 -11.074 11.483 1.00 14.10 O ATOM 0 H GLU A 89 -2.027 -6.979 8.380 1.00 70.22 H new ATOM 0 HA GLU A 89 -3.319 -8.933 6.893 1.00 31.42 H new ATOM 0 HB2 GLU A 89 -1.746 -9.342 8.756 1.00 0.43 H new ATOM 0 HB3 GLU A 89 -2.872 -8.633 9.897 1.00 0.43 H new ATOM 0 HG2 GLU A 89 -4.510 -10.501 9.126 1.00 14.01 H new ATOM 0 HG3 GLU A 89 -3.092 -11.265 8.434 1.00 14.01 H new ATOM 1407 N ASP A 90 -5.263 -7.471 9.130 1.00 22.45 N ATOM 1408 CA ASP A 90 -6.641 -7.235 9.563 1.00 32.23 C ATOM 1409 C ASP A 90 -7.549 -6.856 8.400 1.00 35.32 C ATOM 1410 O ASP A 90 -8.649 -7.394 8.257 1.00 12.12 O ATOM 1411 CB ASP A 90 -6.673 -6.129 10.620 1.00 45.10 C ATOM 1412 CG ASP A 90 -8.074 -5.817 11.099 1.00 22.41 C ATOM 1413 OD1 ASP A 90 -8.581 -6.546 11.974 1.00 14.24 O ATOM 1414 OD2 ASP A 90 -8.671 -4.829 10.615 1.00 55.45 O ATOM 0 H ASP A 90 -4.569 -6.965 9.679 1.00 22.45 H new ATOM 0 HA ASP A 90 -7.014 -8.167 9.987 1.00 32.23 H new ATOM 0 HB2 ASP A 90 -6.061 -6.428 11.471 1.00 45.10 H new ATOM 0 HB3 ASP A 90 -6.225 -5.225 10.207 1.00 45.10 H new ATOM 1419 N ALA A 91 -7.082 -5.946 7.569 1.00 2.24 N ATOM 1420 CA ALA A 91 -7.868 -5.471 6.446 1.00 51.14 C ATOM 1421 C ALA A 91 -7.824 -6.441 5.265 1.00 44.04 C ATOM 1422 O ALA A 91 -8.853 -6.743 4.676 1.00 64.44 O ATOM 1423 CB ALA A 91 -7.396 -4.091 6.022 1.00 22.32 C ATOM 0 H ALA A 91 -6.159 -5.519 7.650 1.00 2.24 H new ATOM 0 HA ALA A 91 -8.906 -5.408 6.773 1.00 51.14 H new ATOM 0 HB1 ALA A 91 -7.994 -3.745 5.178 1.00 22.32 H new ATOM 0 HB2 ALA A 91 -7.508 -3.396 6.855 1.00 22.32 H new ATOM 0 HB3 ALA A 91 -6.347 -4.139 5.728 1.00 22.32 H new ATOM 1429 N SER A 92 -6.637 -6.944 4.946 1.00 72.13 N ATOM 1430 CA SER A 92 -6.452 -7.836 3.794 1.00 42.33 C ATOM 1431 C SER A 92 -7.347 -9.071 3.870 1.00 22.40 C ATOM 1432 O SER A 92 -8.022 -9.419 2.902 1.00 55.51 O ATOM 1433 CB SER A 92 -4.992 -8.261 3.684 1.00 33.12 C ATOM 1434 OG SER A 92 -4.148 -7.132 3.617 1.00 21.14 O ATOM 0 H SER A 92 -5.782 -6.752 5.468 1.00 72.13 H new ATOM 0 HA SER A 92 -6.739 -7.275 2.904 1.00 42.33 H new ATOM 0 HB2 SER A 92 -4.721 -8.874 4.544 1.00 33.12 H new ATOM 0 HB3 SER A 92 -4.853 -8.878 2.796 1.00 33.12 H new ATOM 0 HG SER A 92 -3.962 -6.808 4.523 1.00 21.14 H new ATOM 1440 N PHE A 93 -7.368 -9.717 5.024 1.00 31.13 N ATOM 1441 CA PHE A 93 -8.156 -10.928 5.193 1.00 13.30 C ATOM 1442 C PHE A 93 -9.632 -10.615 5.408 1.00 5.50 C ATOM 1443 O PHE A 93 -10.478 -11.511 5.383 1.00 50.15 O ATOM 1444 CB PHE A 93 -7.596 -11.788 6.328 1.00 42.23 C ATOM 1445 CG PHE A 93 -6.273 -12.422 5.988 1.00 3.31 C ATOM 1446 CD1 PHE A 93 -5.090 -11.712 6.123 1.00 51.21 C ATOM 1447 CD2 PHE A 93 -6.215 -13.725 5.523 1.00 3.51 C ATOM 1448 CE1 PHE A 93 -3.878 -12.290 5.801 1.00 61.33 C ATOM 1449 CE2 PHE A 93 -5.005 -14.309 5.201 1.00 60.41 C ATOM 1450 CZ PHE A 93 -3.835 -13.590 5.340 1.00 31.53 C ATOM 0 H PHE A 93 -6.852 -9.426 5.854 1.00 31.13 H new ATOM 0 HA PHE A 93 -8.083 -11.502 4.269 1.00 13.30 H new ATOM 0 HB2 PHE A 93 -7.479 -11.172 7.220 1.00 42.23 H new ATOM 0 HB3 PHE A 93 -8.315 -12.570 6.573 1.00 42.23 H new ATOM 0 HD1 PHE A 93 -5.117 -10.695 6.484 1.00 51.21 H new ATOM 0 HD2 PHE A 93 -7.127 -14.292 5.411 1.00 3.51 H new ATOM 0 HE1 PHE A 93 -2.964 -11.725 5.910 1.00 61.33 H new ATOM 0 HE2 PHE A 93 -4.975 -15.327 4.841 1.00 60.41 H new ATOM 0 HZ PHE A 93 -2.888 -14.044 5.088 1.00 31.53 H new ATOM 1460 N ALA A 94 -9.941 -9.344 5.608 1.00 53.03 N ATOM 1461 CA ALA A 94 -11.320 -8.916 5.759 1.00 54.41 C ATOM 1462 C ALA A 94 -11.913 -8.628 4.393 1.00 42.12 C ATOM 1463 O ALA A 94 -13.133 -8.567 4.224 1.00 32.45 O ATOM 1464 CB ALA A 94 -11.409 -7.686 6.648 1.00 41.13 C ATOM 0 H ALA A 94 -9.255 -8.592 5.669 1.00 53.03 H new ATOM 0 HA ALA A 94 -11.888 -9.715 6.235 1.00 54.41 H new ATOM 0 HB1 ALA A 94 -12.451 -7.383 6.747 1.00 41.13 H new ATOM 0 HB2 ALA A 94 -11.004 -7.919 7.633 1.00 41.13 H new ATOM 0 HB3 ALA A 94 -10.836 -6.873 6.203 1.00 41.13 H new ATOM 1470 N LEU A 95 -11.037 -8.454 3.418 1.00 51.32 N ATOM 1471 CA LEU A 95 -11.443 -8.199 2.055 1.00 3.35 C ATOM 1472 C LEU A 95 -11.607 -9.511 1.312 1.00 52.24 C ATOM 1473 O LEU A 95 -11.131 -10.556 1.762 1.00 40.52 O ATOM 1474 CB LEU A 95 -10.400 -7.341 1.330 1.00 62.43 C ATOM 1475 CG LEU A 95 -10.036 -6.011 1.984 1.00 33.42 C ATOM 1476 CD1 LEU A 95 -8.975 -5.298 1.164 1.00 63.15 C ATOM 1477 CD2 LEU A 95 -11.267 -5.133 2.151 1.00 5.14 C ATOM 0 H LEU A 95 -10.027 -8.486 3.553 1.00 51.32 H new ATOM 0 HA LEU A 95 -12.392 -7.663 2.077 1.00 3.35 H new ATOM 0 HB2 LEU A 95 -9.489 -7.929 1.224 1.00 62.43 H new ATOM 0 HB3 LEU A 95 -10.766 -7.137 0.324 1.00 62.43 H new ATOM 0 HG LEU A 95 -9.633 -6.213 2.976 1.00 33.42 H new ATOM 0 HD11 LEU A 95 -8.723 -4.350 1.640 1.00 63.15 H new ATOM 0 HD12 LEU A 95 -8.083 -5.921 1.102 1.00 63.15 H new ATOM 0 HD13 LEU A 95 -9.356 -5.110 0.160 1.00 63.15 H new ATOM 0 HD21 LEU A 95 -10.981 -4.191 2.619 1.00 5.14 H new ATOM 0 HD22 LEU A 95 -11.707 -4.934 1.174 1.00 5.14 H new ATOM 0 HD23 LEU A 95 -11.996 -5.644 2.780 1.00 5.14 H new ATOM 1489 N ARG A 96 -12.268 -9.453 0.183 1.00 74.44 N ATOM 1490 CA ARG A 96 -12.464 -10.621 -0.652 1.00 13.32 C ATOM 1491 C ARG A 96 -11.578 -10.511 -1.888 1.00 4.43 C ATOM 1492 O ARG A 96 -10.980 -9.459 -2.130 1.00 44.53 O ATOM 1493 CB ARG A 96 -13.934 -10.723 -1.063 1.00 44.45 C ATOM 1494 CG ARG A 96 -14.356 -9.694 -2.098 1.00 20.43 C ATOM 1495 CD ARG A 96 -15.821 -9.341 -1.964 1.00 31.01 C ATOM 1496 NE ARG A 96 -16.069 -8.503 -0.788 1.00 62.05 N ATOM 1497 CZ ARG A 96 -17.279 -8.229 -0.295 1.00 31.11 C ATOM 1498 NH1 ARG A 96 -18.360 -8.760 -0.848 1.00 24.05 N ATOM 1499 NH2 ARG A 96 -17.402 -7.426 0.754 1.00 45.35 N ATOM 0 H ARG A 96 -12.686 -8.599 -0.186 1.00 74.44 H new ATOM 0 HA ARG A 96 -12.194 -11.518 -0.096 1.00 13.32 H new ATOM 0 HB2 ARG A 96 -14.122 -11.721 -1.459 1.00 44.45 H new ATOM 0 HB3 ARG A 96 -14.558 -10.609 -0.176 1.00 44.45 H new ATOM 0 HG2 ARG A 96 -13.752 -8.794 -1.985 1.00 20.43 H new ATOM 0 HG3 ARG A 96 -14.164 -10.083 -3.098 1.00 20.43 H new ATOM 0 HD2 ARG A 96 -16.153 -8.818 -2.861 1.00 31.01 H new ATOM 0 HD3 ARG A 96 -16.411 -10.255 -1.891 1.00 31.01 H new ATOM 0 HE ARG A 96 -15.261 -8.101 -0.313 1.00 62.05 H new ATOM 0 HH11 ARG A 96 -18.269 -9.380 -1.653 1.00 24.05 H new ATOM 0 HH12 ARG A 96 -19.283 -8.549 -0.469 1.00 24.05 H new ATOM 0 HH21 ARG A 96 -16.572 -7.018 1.184 1.00 45.35 H new ATOM 0 HH22 ARG A 96 -18.327 -7.217 1.130 1.00 45.35 H new ATOM 1513 N THR A 97 -11.478 -11.584 -2.652 1.00 15.02 N ATOM 1514 CA THR A 97 -10.693 -11.571 -3.874 1.00 22.44 C ATOM 1515 C THR A 97 -11.239 -10.524 -4.845 1.00 70.43 C ATOM 1516 O THR A 97 -12.398 -10.592 -5.262 1.00 63.31 O ATOM 1517 CB THR A 97 -10.695 -12.956 -4.546 1.00 13.34 C ATOM 1518 OG1 THR A 97 -10.129 -13.921 -3.650 1.00 61.51 O ATOM 1519 CG2 THR A 97 -9.894 -12.935 -5.843 1.00 22.12 C ATOM 0 H THR A 97 -11.930 -12.475 -2.448 1.00 15.02 H new ATOM 0 HA THR A 97 -9.667 -11.315 -3.611 1.00 22.44 H new ATOM 0 HB THR A 97 -11.725 -13.224 -4.782 1.00 13.34 H new ATOM 0 HG1 THR A 97 -9.305 -13.562 -3.260 1.00 61.51 H new ATOM 0 HG21 THR A 97 -9.911 -13.926 -6.297 1.00 22.12 H new ATOM 0 HG22 THR A 97 -10.334 -12.213 -6.531 1.00 22.12 H new ATOM 0 HG23 THR A 97 -8.863 -12.652 -5.630 1.00 22.12 H new ATOM 1527 N GLY A 98 -10.408 -9.552 -5.182 1.00 33.24 N ATOM 1528 CA GLY A 98 -10.832 -8.499 -6.066 1.00 15.55 C ATOM 1529 C GLY A 98 -11.516 -7.377 -5.319 1.00 23.53 C ATOM 1530 O GLY A 98 -12.573 -6.899 -5.731 1.00 51.44 O ATOM 0 H GLY A 98 -9.445 -9.477 -4.856 1.00 33.24 H new ATOM 0 HA2 GLY A 98 -9.968 -8.105 -6.602 1.00 15.55 H new ATOM 0 HA3 GLY A 98 -11.513 -8.905 -6.814 1.00 15.55 H new ATOM 1534 N GLU A 99 -10.923 -6.966 -4.215 1.00 64.25 N ATOM 1535 CA GLU A 99 -11.473 -5.898 -3.407 1.00 4.24 C ATOM 1536 C GLU A 99 -10.355 -5.027 -2.839 1.00 64.43 C ATOM 1537 O GLU A 99 -9.258 -5.519 -2.548 1.00 71.22 O ATOM 1538 CB GLU A 99 -12.344 -6.479 -2.289 1.00 12.11 C ATOM 1539 CG GLU A 99 -12.944 -5.442 -1.359 1.00 32.33 C ATOM 1540 CD GLU A 99 -13.955 -6.032 -0.406 1.00 53.42 C ATOM 1541 OE1 GLU A 99 -13.750 -7.167 0.071 1.00 52.52 O ATOM 1542 OE2 GLU A 99 -14.969 -5.366 -0.133 1.00 32.23 O ATOM 0 H GLU A 99 -10.053 -7.360 -3.856 1.00 64.25 H new ATOM 0 HA GLU A 99 -12.101 -5.266 -4.035 1.00 4.24 H new ATOM 0 HB2 GLU A 99 -13.152 -7.057 -2.738 1.00 12.11 H new ATOM 0 HB3 GLU A 99 -11.744 -7.173 -1.701 1.00 12.11 H new ATOM 0 HG2 GLU A 99 -12.146 -4.967 -0.788 1.00 32.33 H new ATOM 0 HG3 GLU A 99 -13.421 -4.661 -1.951 1.00 32.33 H new ATOM 1549 N MET A 100 -10.634 -3.740 -2.705 1.00 45.43 N ATOM 1550 CA MET A 100 -9.667 -2.783 -2.199 1.00 5.45 C ATOM 1551 C MET A 100 -10.222 -2.065 -0.975 1.00 32.32 C ATOM 1552 O MET A 100 -11.369 -1.617 -0.979 1.00 65.33 O ATOM 1553 CB MET A 100 -9.325 -1.764 -3.291 1.00 12.02 C ATOM 1554 CG MET A 100 -8.300 -0.719 -2.876 1.00 43.34 C ATOM 1555 SD MET A 100 -7.928 0.454 -4.198 1.00 61.30 S ATOM 1556 CE MET A 100 -9.525 1.240 -4.424 1.00 60.24 C ATOM 0 H MET A 100 -11.537 -3.331 -2.944 1.00 45.43 H new ATOM 0 HA MET A 100 -8.762 -3.318 -1.910 1.00 5.45 H new ATOM 0 HB2 MET A 100 -8.949 -2.297 -4.164 1.00 12.02 H new ATOM 0 HB3 MET A 100 -10.240 -1.257 -3.597 1.00 12.02 H new ATOM 0 HG2 MET A 100 -8.672 -0.176 -2.007 1.00 43.34 H new ATOM 0 HG3 MET A 100 -7.381 -1.219 -2.570 1.00 43.34 H new ATOM 0 HE1 MET A 100 -9.419 2.095 -5.092 1.00 60.24 H new ATOM 0 HE2 MET A 100 -10.224 0.525 -4.858 1.00 60.24 H new ATOM 0 HE3 MET A 100 -9.904 1.579 -3.460 1.00 60.24 H new ATOM 1566 N SER A 101 -9.414 -1.959 0.064 1.00 51.32 N ATOM 1567 CA SER A 101 -9.828 -1.290 1.285 1.00 13.43 C ATOM 1568 C SER A 101 -9.710 0.226 1.140 1.00 41.44 C ATOM 1569 O SER A 101 -10.711 0.937 1.063 1.00 52.42 O ATOM 1570 CB SER A 101 -8.984 -1.780 2.465 1.00 4.13 C ATOM 1571 OG SER A 101 -7.597 -1.751 2.145 1.00 5.42 O ATOM 0 H SER A 101 -8.464 -2.329 0.087 1.00 51.32 H new ATOM 0 HA SER A 101 -10.874 -1.533 1.474 1.00 13.43 H new ATOM 0 HB2 SER A 101 -9.173 -1.154 3.337 1.00 4.13 H new ATOM 0 HB3 SER A 101 -9.279 -2.795 2.731 1.00 4.13 H new ATOM 0 HG SER A 101 -7.071 -1.911 2.956 1.00 5.42 H new ATOM 1577 N GLY A 102 -8.488 0.706 1.088 1.00 14.24 N ATOM 1578 CA GLY A 102 -8.250 2.116 0.963 1.00 73.40 C ATOM 1579 C GLY A 102 -7.057 2.544 1.778 1.00 21.31 C ATOM 1580 O GLY A 102 -6.076 1.805 1.862 1.00 62.31 O ATOM 0 H GLY A 102 -7.645 0.134 1.131 1.00 14.24 H new ATOM 0 HA2 GLY A 102 -8.087 2.368 -0.085 1.00 73.40 H new ATOM 0 HA3 GLY A 102 -9.132 2.666 1.289 1.00 73.40 H new ATOM 1584 N PRO A 103 -7.108 3.730 2.394 1.00 24.11 N ATOM 1585 CA PRO A 103 -6.014 4.245 3.212 1.00 43.21 C ATOM 1586 C PRO A 103 -5.904 3.534 4.562 1.00 1.04 C ATOM 1587 O PRO A 103 -6.644 3.838 5.498 1.00 52.34 O ATOM 1588 CB PRO A 103 -6.378 5.730 3.429 1.00 14.13 C ATOM 1589 CG PRO A 103 -7.550 5.992 2.538 1.00 34.52 C ATOM 1590 CD PRO A 103 -8.226 4.673 2.336 1.00 4.44 C ATOM 0 HA PRO A 103 -5.051 4.093 2.724 1.00 43.21 H new ATOM 0 HB2 PRO A 103 -6.628 5.924 4.472 1.00 14.13 H new ATOM 0 HB3 PRO A 103 -5.540 6.380 3.176 1.00 14.13 H new ATOM 0 HG2 PRO A 103 -8.230 6.712 2.992 1.00 34.52 H new ATOM 0 HG3 PRO A 103 -7.228 6.414 1.586 1.00 34.52 H new ATOM 0 HD2 PRO A 103 -8.966 4.473 3.111 1.00 4.44 H new ATOM 0 HD3 PRO A 103 -8.747 4.626 1.380 1.00 4.44 H new ATOM 1598 N VAL A 104 -5.006 2.573 4.647 1.00 24.41 N ATOM 1599 CA VAL A 104 -4.767 1.871 5.893 1.00 34.23 C ATOM 1600 C VAL A 104 -3.580 2.498 6.616 1.00 51.42 C ATOM 1601 O VAL A 104 -2.428 2.364 6.182 1.00 33.34 O ATOM 1602 CB VAL A 104 -4.498 0.363 5.660 1.00 51.14 C ATOM 1603 CG1 VAL A 104 -4.263 -0.358 6.982 1.00 20.43 C ATOM 1604 CG2 VAL A 104 -5.654 -0.275 4.903 1.00 32.44 C ATOM 0 H VAL A 104 -4.429 2.260 3.867 1.00 24.41 H new ATOM 0 HA VAL A 104 -5.665 1.960 6.504 1.00 34.23 H new ATOM 0 HB VAL A 104 -3.595 0.269 5.057 1.00 51.14 H new ATOM 0 HG11 VAL A 104 -4.076 -1.415 6.792 1.00 20.43 H new ATOM 0 HG12 VAL A 104 -3.400 0.078 7.486 1.00 20.43 H new ATOM 0 HG13 VAL A 104 -5.144 -0.253 7.615 1.00 20.43 H new ATOM 0 HG21 VAL A 104 -5.447 -1.334 4.749 1.00 32.44 H new ATOM 0 HG22 VAL A 104 -6.572 -0.165 5.480 1.00 32.44 H new ATOM 0 HG23 VAL A 104 -5.772 0.216 3.937 1.00 32.44 H new ATOM 1614 N PHE A 105 -3.862 3.195 7.700 1.00 54.02 N ATOM 1615 CA PHE A 105 -2.824 3.864 8.472 1.00 32.03 C ATOM 1616 C PHE A 105 -1.983 2.846 9.228 1.00 12.04 C ATOM 1617 O PHE A 105 -2.466 2.184 10.146 1.00 21.31 O ATOM 1618 CB PHE A 105 -3.441 4.872 9.447 1.00 53.34 C ATOM 1619 CG PHE A 105 -4.190 5.989 8.773 1.00 4.51 C ATOM 1620 CD1 PHE A 105 -3.528 7.135 8.361 1.00 10.04 C ATOM 1621 CD2 PHE A 105 -5.556 5.894 8.551 1.00 34.03 C ATOM 1622 CE1 PHE A 105 -4.212 8.163 7.742 1.00 11.25 C ATOM 1623 CE2 PHE A 105 -6.245 6.920 7.933 1.00 73.34 C ATOM 1624 CZ PHE A 105 -5.571 8.056 7.528 1.00 63.32 C ATOM 0 H PHE A 105 -4.805 3.315 8.070 1.00 54.02 H new ATOM 0 HA PHE A 105 -2.178 4.404 7.780 1.00 32.03 H new ATOM 0 HB2 PHE A 105 -4.119 4.345 10.118 1.00 53.34 H new ATOM 0 HB3 PHE A 105 -2.650 5.298 10.064 1.00 53.34 H new ATOM 0 HD1 PHE A 105 -2.464 7.225 8.526 1.00 10.04 H new ATOM 0 HD2 PHE A 105 -6.087 5.008 8.865 1.00 34.03 H new ATOM 0 HE1 PHE A 105 -3.683 9.050 7.426 1.00 11.25 H new ATOM 0 HE2 PHE A 105 -7.309 6.834 7.767 1.00 73.34 H new ATOM 0 HZ PHE A 105 -6.107 8.859 7.045 1.00 63.32 H new ATOM 1634 N THR A 106 -0.734 2.716 8.829 1.00 1.23 N ATOM 1635 CA THR A 106 0.160 1.762 9.442 1.00 71.33 C ATOM 1636 C THR A 106 1.326 2.497 10.139 1.00 22.13 C ATOM 1637 O THR A 106 1.193 3.671 10.502 1.00 54.14 O ATOM 1638 CB THR A 106 0.692 0.785 8.379 1.00 61.23 C ATOM 1639 OG1 THR A 106 -0.270 0.683 7.319 1.00 64.23 O ATOM 1640 CG2 THR A 106 0.896 -0.599 8.973 1.00 64.53 C ATOM 0 H THR A 106 -0.315 3.264 8.078 1.00 1.23 H new ATOM 0 HA THR A 106 -0.386 1.193 10.195 1.00 71.33 H new ATOM 0 HB THR A 106 1.646 1.160 8.008 1.00 61.23 H new ATOM 0 HG1 THR A 106 -0.217 -0.208 6.914 1.00 64.23 H new ATOM 0 HG21 THR A 106 1.272 -1.273 8.204 1.00 64.53 H new ATOM 0 HG22 THR A 106 1.616 -0.542 9.789 1.00 64.53 H new ATOM 0 HG23 THR A 106 -0.054 -0.976 9.352 1.00 64.53 H new ATOM 1648 N ASP A 107 2.454 1.817 10.321 1.00 71.25 N ATOM 1649 CA ASP A 107 3.591 2.405 11.023 1.00 25.33 C ATOM 1650 C ASP A 107 4.417 3.318 10.114 1.00 0.44 C ATOM 1651 O ASP A 107 4.428 4.536 10.293 1.00 64.44 O ATOM 1652 CB ASP A 107 4.479 1.312 11.621 1.00 51.25 C ATOM 1653 CG ASP A 107 5.595 1.873 12.477 1.00 33.11 C ATOM 1654 OD1 ASP A 107 5.376 2.078 13.686 1.00 44.15 O ATOM 1655 OD2 ASP A 107 6.693 2.106 11.952 1.00 74.40 O ATOM 0 H ASP A 107 2.605 0.863 9.994 1.00 71.25 H new ATOM 0 HA ASP A 107 3.189 3.019 11.829 1.00 25.33 H new ATOM 0 HB2 ASP A 107 3.867 0.640 12.223 1.00 51.25 H new ATOM 0 HB3 ASP A 107 4.908 0.716 10.815 1.00 51.25 H new ATOM 1660 N SER A 108 5.092 2.730 9.134 1.00 24.43 N ATOM 1661 CA SER A 108 5.953 3.492 8.232 1.00 20.34 C ATOM 1662 C SER A 108 5.157 4.500 7.404 1.00 12.20 C ATOM 1663 O SER A 108 5.667 5.569 7.050 1.00 70.43 O ATOM 1664 CB SER A 108 6.736 2.553 7.308 1.00 63.41 C ATOM 1665 OG SER A 108 7.581 3.289 6.434 1.00 15.21 O ATOM 0 H SER A 108 5.061 1.729 8.942 1.00 24.43 H new ATOM 0 HA SER A 108 6.656 4.049 8.851 1.00 20.34 H new ATOM 0 HB2 SER A 108 7.335 1.865 7.905 1.00 63.41 H new ATOM 0 HB3 SER A 108 6.042 1.948 6.725 1.00 63.41 H new ATOM 0 HG SER A 108 8.517 3.149 6.689 1.00 15.21 H new ATOM 1671 N GLY A 109 3.918 4.168 7.104 1.00 44.44 N ATOM 1672 CA GLY A 109 3.106 5.049 6.313 1.00 14.24 C ATOM 1673 C GLY A 109 1.733 4.498 6.077 1.00 70.31 C ATOM 1674 O GLY A 109 1.275 3.618 6.809 1.00 41.42 O ATOM 0 H GLY A 109 3.462 3.303 7.395 1.00 44.44 H new ATOM 0 HA2 GLY A 109 3.027 6.014 6.814 1.00 14.24 H new ATOM 0 HA3 GLY A 109 3.594 5.226 5.354 1.00 14.24 H new ATOM 1678 N ILE A 110 1.078 5.001 5.057 1.00 30.10 N ATOM 1679 CA ILE A 110 -0.256 4.562 4.720 1.00 42.40 C ATOM 1680 C ILE A 110 -0.182 3.493 3.641 1.00 74.15 C ATOM 1681 O ILE A 110 0.557 3.638 2.664 1.00 21.51 O ATOM 1682 CB ILE A 110 -1.125 5.741 4.232 1.00 41.41 C ATOM 1683 CG1 ILE A 110 -1.073 6.888 5.249 1.00 4.15 C ATOM 1684 CG2 ILE A 110 -2.565 5.287 4.015 1.00 13.50 C ATOM 1685 CD1 ILE A 110 -1.798 8.138 4.803 1.00 23.21 C ATOM 0 H ILE A 110 1.452 5.722 4.440 1.00 30.10 H new ATOM 0 HA ILE A 110 -0.719 4.149 5.616 1.00 42.40 H new ATOM 0 HB ILE A 110 -0.730 6.097 3.281 1.00 41.41 H new ATOM 0 HG12 ILE A 110 -1.505 6.546 6.190 1.00 4.15 H new ATOM 0 HG13 ILE A 110 -0.031 7.136 5.448 1.00 4.15 H new ATOM 0 HG21 ILE A 110 -3.164 6.130 3.671 1.00 13.50 H new ATOM 0 HG22 ILE A 110 -2.588 4.496 3.266 1.00 13.50 H new ATOM 0 HG23 ILE A 110 -2.973 4.910 4.953 1.00 13.50 H new ATOM 0 HD11 ILE A 110 -1.715 8.902 5.576 1.00 23.21 H new ATOM 0 HD12 ILE A 110 -1.353 8.507 3.879 1.00 23.21 H new ATOM 0 HD13 ILE A 110 -2.849 7.907 4.632 1.00 23.21 H new ATOM 1697 N HIS A 111 -0.919 2.417 3.831 1.00 13.21 N ATOM 1698 CA HIS A 111 -0.904 1.307 2.895 1.00 4.22 C ATOM 1699 C HIS A 111 -2.259 1.135 2.226 1.00 61.33 C ATOM 1700 O HIS A 111 -3.290 1.190 2.883 1.00 1.31 O ATOM 1701 CB HIS A 111 -0.527 -0.006 3.611 1.00 61.04 C ATOM 1702 CG HIS A 111 0.888 -0.074 4.121 1.00 55.43 C ATOM 1703 ND1 HIS A 111 1.770 -1.066 3.756 1.00 51.53 N ATOM 1704 CD2 HIS A 111 1.560 0.710 4.996 1.00 64.42 C ATOM 1705 CE1 HIS A 111 2.917 -0.888 4.382 1.00 0.02 C ATOM 1706 NE2 HIS A 111 2.818 0.179 5.141 1.00 12.13 N ATOM 0 H HIS A 111 -1.540 2.286 4.630 1.00 13.21 H new ATOM 0 HA HIS A 111 -0.157 1.534 2.134 1.00 4.22 H new ATOM 0 HB2 HIS A 111 -1.206 -0.151 4.451 1.00 61.04 H new ATOM 0 HB3 HIS A 111 -0.689 -0.836 2.923 1.00 61.04 H new ATOM 0 HD2 HIS A 111 1.177 1.591 5.489 1.00 64.42 H new ATOM 0 HE1 HIS A 111 3.791 -1.515 4.286 1.00 0.02 H new ATOM 0 HE2 HIS A 111 3.555 0.552 5.740 1.00 12.13 H new ATOM 1715 N ILE A 112 -2.245 0.951 0.922 1.00 11.31 N ATOM 1716 CA ILE A 112 -3.456 0.650 0.174 1.00 63.23 C ATOM 1717 C ILE A 112 -3.470 -0.841 -0.117 1.00 4.23 C ATOM 1718 O ILE A 112 -2.463 -1.390 -0.568 1.00 70.31 O ATOM 1719 CB ILE A 112 -3.523 1.427 -1.165 1.00 1.22 C ATOM 1720 CG1 ILE A 112 -3.359 2.931 -0.926 1.00 61.23 C ATOM 1721 CG2 ILE A 112 -4.842 1.141 -1.881 1.00 53.53 C ATOM 1722 CD1 ILE A 112 -3.365 3.756 -2.200 1.00 23.32 C ATOM 0 H ILE A 112 -1.402 1.005 0.351 1.00 11.31 H new ATOM 0 HA ILE A 112 -4.316 0.951 0.771 1.00 63.23 H new ATOM 0 HB ILE A 112 -2.703 1.090 -1.799 1.00 1.22 H new ATOM 0 HG12 ILE A 112 -4.163 3.276 -0.276 1.00 61.23 H new ATOM 0 HG13 ILE A 112 -2.423 3.106 -0.395 1.00 61.23 H new ATOM 0 HG21 ILE A 112 -4.874 1.694 -2.820 1.00 53.53 H new ATOM 0 HG22 ILE A 112 -4.921 0.073 -2.086 1.00 53.53 H new ATOM 0 HG23 ILE A 112 -5.674 1.451 -1.249 1.00 53.53 H new ATOM 0 HD11 ILE A 112 -3.245 4.810 -1.951 1.00 23.32 H new ATOM 0 HD12 ILE A 112 -2.544 3.439 -2.843 1.00 23.32 H new ATOM 0 HD13 ILE A 112 -4.311 3.612 -2.722 1.00 23.32 H new ATOM 1734 N ILE A 113 -4.583 -1.498 0.153 1.00 34.05 N ATOM 1735 CA ILE A 113 -4.664 -2.940 -0.020 1.00 1.23 C ATOM 1736 C ILE A 113 -5.647 -3.330 -1.116 1.00 72.15 C ATOM 1737 O ILE A 113 -6.829 -2.988 -1.057 1.00 12.43 O ATOM 1738 CB ILE A 113 -5.087 -3.635 1.292 1.00 11.50 C ATOM 1739 CG1 ILE A 113 -4.185 -3.188 2.444 1.00 63.02 C ATOM 1740 CG2 ILE A 113 -5.037 -5.152 1.128 1.00 33.42 C ATOM 1741 CD1 ILE A 113 -4.600 -3.732 3.790 1.00 44.55 C ATOM 0 H ILE A 113 -5.440 -1.061 0.491 1.00 34.05 H new ATOM 0 HA ILE A 113 -3.666 -3.269 -0.308 1.00 1.23 H new ATOM 0 HB ILE A 113 -6.112 -3.348 1.526 1.00 11.50 H new ATOM 0 HG12 ILE A 113 -3.162 -3.502 2.235 1.00 63.02 H new ATOM 0 HG13 ILE A 113 -4.181 -2.099 2.488 1.00 63.02 H new ATOM 0 HG21 ILE A 113 -5.338 -5.629 2.061 1.00 33.42 H new ATOM 0 HG22 ILE A 113 -5.716 -5.454 0.331 1.00 33.42 H new ATOM 0 HG23 ILE A 113 -4.022 -5.457 0.875 1.00 33.42 H new ATOM 0 HD11 ILE A 113 -3.913 -3.371 4.556 1.00 44.55 H new ATOM 0 HD12 ILE A 113 -5.611 -3.396 4.022 1.00 44.55 H new ATOM 0 HD13 ILE A 113 -4.576 -4.821 3.765 1.00 44.55 H new ATOM 1753 N LEU A 114 -5.146 -4.039 -2.110 1.00 13.21 N ATOM 1754 CA LEU A 114 -5.968 -4.560 -3.188 1.00 1.24 C ATOM 1755 C LEU A 114 -5.737 -6.059 -3.319 1.00 23.41 C ATOM 1756 O LEU A 114 -4.653 -6.492 -3.707 1.00 1.24 O ATOM 1757 CB LEU A 114 -5.635 -3.856 -4.513 1.00 3.12 C ATOM 1758 CG LEU A 114 -6.303 -4.439 -5.769 1.00 24.22 C ATOM 1759 CD1 LEU A 114 -7.817 -4.343 -5.677 1.00 13.11 C ATOM 1760 CD2 LEU A 114 -5.800 -3.734 -7.019 1.00 2.21 C ATOM 0 H LEU A 114 -4.156 -4.271 -2.194 1.00 13.21 H new ATOM 0 HA LEU A 114 -7.016 -4.372 -2.957 1.00 1.24 H new ATOM 0 HB2 LEU A 114 -5.920 -2.808 -4.427 1.00 3.12 H new ATOM 0 HB3 LEU A 114 -4.555 -3.882 -4.654 1.00 3.12 H new ATOM 0 HG LEU A 114 -6.034 -5.493 -5.834 1.00 24.22 H new ATOM 0 HD11 LEU A 114 -8.264 -4.763 -6.578 1.00 13.11 H new ATOM 0 HD12 LEU A 114 -8.165 -4.900 -4.807 1.00 13.11 H new ATOM 0 HD13 LEU A 114 -8.110 -3.298 -5.580 1.00 13.11 H new ATOM 0 HD21 LEU A 114 -6.284 -4.161 -7.897 1.00 2.21 H new ATOM 0 HD22 LEU A 114 -6.034 -2.671 -6.956 1.00 2.21 H new ATOM 0 HD23 LEU A 114 -4.721 -3.864 -7.101 1.00 2.21 H new ATOM 1772 N ARG A 115 -6.741 -6.851 -2.976 1.00 25.14 N ATOM 1773 CA ARG A 115 -6.612 -8.300 -3.055 1.00 74.13 C ATOM 1774 C ARG A 115 -6.558 -8.781 -4.492 1.00 33.34 C ATOM 1775 O ARG A 115 -7.554 -8.710 -5.222 1.00 55.50 O ATOM 1776 CB ARG A 115 -7.742 -9.019 -2.315 1.00 70.31 C ATOM 1777 CG ARG A 115 -7.579 -9.055 -0.807 1.00 71.05 C ATOM 1778 CD ARG A 115 -8.492 -10.100 -0.178 1.00 63.30 C ATOM 1779 NE ARG A 115 -8.256 -11.443 -0.728 1.00 5.45 N ATOM 1780 CZ ARG A 115 -8.717 -12.581 -0.196 1.00 10.11 C ATOM 1781 NH1 ARG A 115 -9.476 -12.563 0.896 1.00 22.41 N ATOM 1782 NH2 ARG A 115 -8.435 -13.732 -0.776 1.00 73.51 N ATOM 0 H ARG A 115 -7.647 -6.520 -2.643 1.00 25.14 H new ATOM 0 HA ARG A 115 -5.669 -8.547 -2.567 1.00 74.13 H new ATOM 0 HB2 ARG A 115 -8.686 -8.530 -2.555 1.00 70.31 H new ATOM 0 HB3 ARG A 115 -7.810 -10.042 -2.686 1.00 70.31 H new ATOM 0 HG2 ARG A 115 -6.542 -9.277 -0.556 1.00 71.05 H new ATOM 0 HG3 ARG A 115 -7.805 -8.073 -0.391 1.00 71.05 H new ATOM 0 HD2 ARG A 115 -8.334 -10.117 0.900 1.00 63.30 H new ATOM 0 HD3 ARG A 115 -9.532 -9.819 -0.343 1.00 63.30 H new ATOM 0 HE ARG A 115 -7.699 -11.512 -1.579 1.00 5.45 H new ATOM 0 HH11 ARG A 115 -9.713 -11.675 1.338 1.00 22.41 H new ATOM 0 HH12 ARG A 115 -9.821 -13.437 1.292 1.00 22.41 H new ATOM 0 HH21 ARG A 115 -7.869 -13.750 -1.624 1.00 73.51 H new ATOM 0 HH22 ARG A 115 -8.783 -14.603 -0.376 1.00 73.51 H new ATOM 1796 N THR A 116 -5.395 -9.258 -4.894 1.00 41.34 N ATOM 1797 CA THR A 116 -5.212 -9.813 -6.211 1.00 44.21 C ATOM 1798 C THR A 116 -5.909 -11.166 -6.273 1.00 20.55 C ATOM 1799 O THR A 116 -6.721 -11.428 -7.160 1.00 54.21 O ATOM 1800 CB THR A 116 -3.715 -10.014 -6.518 1.00 42.04 C ATOM 1801 OG1 THR A 116 -2.950 -8.911 -5.993 1.00 13.33 O ATOM 1802 CG2 THR A 116 -3.486 -10.123 -8.018 1.00 44.54 C ATOM 0 H THR A 116 -4.556 -9.269 -4.314 1.00 41.34 H new ATOM 0 HA THR A 116 -5.632 -9.124 -6.944 1.00 44.21 H new ATOM 0 HB THR A 116 -3.389 -10.940 -6.043 1.00 42.04 H new ATOM 0 HG1 THR A 116 -1.994 -9.122 -6.044 1.00 13.33 H new ATOM 0 HG21 THR A 116 -2.423 -10.265 -8.214 1.00 44.54 H new ATOM 0 HG22 THR A 116 -4.044 -10.973 -8.410 1.00 44.54 H new ATOM 0 HG23 THR A 116 -3.827 -9.209 -8.505 1.00 44.54 H new ATOM 1810 N GLU A 117 -5.591 -12.012 -5.302 1.00 5.54 N ATOM 1811 CA GLU A 117 -6.177 -13.330 -5.196 1.00 15.20 C ATOM 1812 C GLU A 117 -6.487 -13.621 -3.733 1.00 42.24 C ATOM 1813 O GLU A 117 -7.601 -13.294 -3.285 1.00 0.00 O ATOM 1814 CB GLU A 117 -5.233 -14.408 -5.766 1.00 65.21 C ATOM 1815 CG GLU A 117 -4.816 -14.178 -7.214 1.00 71.10 C ATOM 1816 CD GLU A 117 -3.978 -15.309 -7.766 1.00 13.31 C ATOM 1817 OE1 GLU A 117 -4.559 -16.292 -8.275 1.00 51.23 O ATOM 1818 OE2 GLU A 117 -2.736 -15.230 -7.696 1.00 42.21 O ATOM 1819 OXT GLU A 117 -5.601 -14.149 -3.030 1.00 0.00 O ATOM 0 H GLU A 117 -4.917 -11.797 -4.567 1.00 5.54 H new ATOM 0 HA GLU A 117 -7.097 -13.354 -5.781 1.00 15.20 H new ATOM 0 HB2 GLU A 117 -4.338 -14.454 -5.146 1.00 65.21 H new ATOM 0 HB3 GLU A 117 -5.723 -15.379 -5.692 1.00 65.21 H new ATOM 0 HG2 GLU A 117 -5.707 -14.057 -7.830 1.00 71.10 H new ATOM 0 HG3 GLU A 117 -4.253 -13.247 -7.282 1.00 71.10 H new