USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 866 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 106 THR OG1 : rot -170:sc= -0.18 USER MOD Set 1.2: A 111 HIS : no HD1:sc= -3.4! C(o=-3.6!,f=-1.7!) USER MOD Set 2.1: A 13 HIS : no HD1:sc= -2.45! K(o=-0.074!,f=1.9) USER MOD Set 2.2: A 67 SER OG : rot -133:sc= 1.37 USER MOD Set 2.3: A 69 SER OG : rot 100:sc= 1.01 USER MOD Set 3.1: A 17 LYS NZ :NH3+ 169:sc= -0.101 (180deg=-1.43) USER MOD Set 3.2: A 26 SER OG : rot 140:sc= -0.299 USER MOD Set 4.1: A 19 SER OG : rot 56:sc= 0.00114 USER MOD Set 4.2: A 20 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.32) USER MOD Set 5.1: A 11 CYS SG : rot 100:sc= -0.0296 USER MOD Set 5.2: A 92 SER OG : rot 72:sc= 1.25 USER MOD Single : A 12 SER OG : rot -41:sc= 1.02 USER MOD Single : A 18 HIS : no HD1:sc= -2.04 K(o=-2,f=-3.3!) USER MOD Single : A 21 SER OG : rot 114:sc= 0.753 USER MOD Single : A 25 SER OG : rot -55:sc= 1.08 USER MOD Single : A 29 GLN : amide:sc= 0.332 K(o=0.33,f=-5!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 47:sc= -0.0153 USER MOD Single : A 36 LYS NZ :NH3+ -174:sc= 1.25 (180deg=1.09) USER MOD Single : A 44 ASN : amide:sc= 0.693 K(o=0.69,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.344 X(o=-0.34,f=-0.074) USER MOD Single : A 49 LYS NZ :NH3+ -178:sc= 0.511 (180deg=0.319) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 87:sc= 1.28 USER MOD Single : A 59 SER OG : rot 175:sc= 1.27 USER MOD Single : A 62 SER OG : rot 95:sc= -0.0386 USER MOD Single : A 63 GLN : amide:sc= -0.972 K(o=-0.97,f=0) USER MOD Single : A 65 SER OG : rot 13:sc= 1.34 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -166:sc= -0.025 (180deg=-0.233) USER MOD Single : A 80 SER OG : rot 29:sc= 0.868 USER MOD Single : A 83 GLN : amide:sc=-0.00634 X(o=-0.0063,f=0.33) USER MOD Single : A 84 MET CE :methyl 145:sc= -0.0592 (180deg=-1.32) USER MOD Single : A 85 GLN : amide:sc= 0.0617 X(o=0.062,f=-0.17) USER MOD Single : A 86 LYS NZ :NH3+ -116:sc= -0.0597 (180deg=-0.694) USER MOD Single : A 97 THR OG1 : rot -20:sc= 1.29 USER MOD Single : A 100 MET CE :methyl 158:sc= -0.415 (180deg=-1.47) USER MOD Single : A 101 SER OG : rot 180:sc= -0.0682 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 85 N ALA A 7 0.443 21.212 -0.690 1.00 23.32 N ATOM 86 CA ALA A 7 0.674 21.025 0.726 1.00 4.02 C ATOM 87 C ALA A 7 -0.169 19.867 1.235 1.00 44.03 C ATOM 88 O ALA A 7 0.100 19.301 2.302 1.00 34.34 O ATOM 89 CB ALA A 7 0.345 22.299 1.489 1.00 64.01 C ATOM 0 HA ALA A 7 1.727 20.793 0.887 1.00 4.02 H new ATOM 0 HB1 ALA A 7 0.524 22.142 2.553 1.00 64.01 H new ATOM 0 HB2 ALA A 7 0.977 23.111 1.130 1.00 64.01 H new ATOM 0 HB3 ALA A 7 -0.702 22.557 1.331 1.00 64.01 H new ATOM 95 N ARG A 8 -1.198 19.532 0.468 1.00 25.31 N ATOM 96 CA ARG A 8 -2.085 18.429 0.784 1.00 33.11 C ATOM 97 C ARG A 8 -2.303 17.568 -0.453 1.00 21.23 C ATOM 98 O ARG A 8 -2.664 18.076 -1.520 1.00 52.42 O ATOM 99 CB ARG A 8 -3.433 18.942 1.300 1.00 2.41 C ATOM 100 CG ARG A 8 -3.339 19.821 2.536 1.00 45.52 C ATOM 101 CD ARG A 8 -4.717 20.234 3.021 1.00 21.34 C ATOM 102 NE ARG A 8 -4.650 21.160 4.150 1.00 61.33 N ATOM 103 CZ ARG A 8 -5.514 21.176 5.166 1.00 64.12 C ATOM 104 NH1 ARG A 8 -6.465 20.253 5.249 1.00 31.24 N ATOM 105 NH2 ARG A 8 -5.406 22.104 6.107 1.00 14.13 N ATOM 0 H ARG A 8 -1.439 20.022 -0.394 1.00 25.31 H new ATOM 0 HA ARG A 8 -1.620 17.830 1.567 1.00 33.11 H new ATOM 0 HB2 ARG A 8 -3.922 19.505 0.505 1.00 2.41 H new ATOM 0 HB3 ARG A 8 -4.071 18.087 1.525 1.00 2.41 H new ATOM 0 HG2 ARG A 8 -2.817 19.284 3.328 1.00 45.52 H new ATOM 0 HG3 ARG A 8 -2.749 20.709 2.310 1.00 45.52 H new ATOM 0 HD2 ARG A 8 -5.264 20.701 2.202 1.00 21.34 H new ATOM 0 HD3 ARG A 8 -5.278 19.347 3.314 1.00 21.34 H new ATOM 0 HE ARG A 8 -3.890 21.841 4.162 1.00 61.33 H new ATOM 0 HH11 ARG A 8 -6.536 19.529 4.534 1.00 31.24 H new ATOM 0 HH12 ARG A 8 -7.124 20.268 6.027 1.00 31.24 H new ATOM 0 HH21 ARG A 8 -4.664 22.802 6.052 1.00 14.13 H new ATOM 0 HH22 ARG A 8 -6.065 22.120 6.886 1.00 14.13 H new ATOM 119 N VAL A 9 -2.077 16.278 -0.314 1.00 1.43 N ATOM 120 CA VAL A 9 -2.255 15.339 -1.414 1.00 44.45 C ATOM 121 C VAL A 9 -3.065 14.140 -0.949 1.00 23.53 C ATOM 122 O VAL A 9 -3.262 13.950 0.249 1.00 21.02 O ATOM 123 CB VAL A 9 -0.898 14.846 -1.987 1.00 4.24 C ATOM 124 CG1 VAL A 9 -0.123 15.996 -2.614 1.00 42.42 C ATOM 125 CG2 VAL A 9 -0.066 14.167 -0.906 1.00 34.53 C ATOM 0 H VAL A 9 -1.766 15.848 0.557 1.00 1.43 H new ATOM 0 HA VAL A 9 -2.785 15.868 -2.206 1.00 44.45 H new ATOM 0 HB VAL A 9 -1.110 14.113 -2.765 1.00 4.24 H new ATOM 0 HG11 VAL A 9 0.823 15.625 -3.008 1.00 42.42 H new ATOM 0 HG12 VAL A 9 -0.708 16.430 -3.425 1.00 42.42 H new ATOM 0 HG13 VAL A 9 0.072 16.758 -1.859 1.00 42.42 H new ATOM 0 HG21 VAL A 9 0.879 13.831 -1.332 1.00 34.53 H new ATOM 0 HG22 VAL A 9 0.130 14.874 -0.100 1.00 34.53 H new ATOM 0 HG23 VAL A 9 -0.612 13.310 -0.512 1.00 34.53 H new ATOM 135 N ARG A 10 -3.536 13.341 -1.882 1.00 11.02 N ATOM 136 CA ARG A 10 -4.311 12.164 -1.537 1.00 71.05 C ATOM 137 C ARG A 10 -3.689 10.920 -2.123 1.00 61.14 C ATOM 138 O ARG A 10 -3.421 10.856 -3.328 1.00 74.34 O ATOM 139 CB ARG A 10 -5.760 12.275 -2.013 1.00 13.00 C ATOM 140 CG ARG A 10 -6.537 10.979 -1.828 1.00 10.53 C ATOM 141 CD ARG A 10 -7.913 11.032 -2.453 1.00 23.41 C ATOM 142 NE ARG A 10 -8.536 9.709 -2.455 1.00 53.22 N ATOM 143 CZ ARG A 10 -9.553 9.347 -3.234 1.00 42.02 C ATOM 144 NH1 ARG A 10 -10.132 10.230 -4.035 1.00 23.53 N ATOM 145 NH2 ARG A 10 -9.996 8.100 -3.201 1.00 34.24 N ATOM 0 H ARG A 10 -3.398 13.482 -2.883 1.00 11.02 H new ATOM 0 HA ARG A 10 -4.310 12.095 -0.449 1.00 71.05 H new ATOM 0 HB2 ARG A 10 -6.258 13.075 -1.465 1.00 13.00 H new ATOM 0 HB3 ARG A 10 -5.772 12.555 -3.066 1.00 13.00 H new ATOM 0 HG2 ARG A 10 -5.974 10.156 -2.268 1.00 10.53 H new ATOM 0 HG3 ARG A 10 -6.633 10.766 -0.763 1.00 10.53 H new ATOM 0 HD2 ARG A 10 -8.540 11.733 -1.902 1.00 23.41 H new ATOM 0 HD3 ARG A 10 -7.839 11.405 -3.474 1.00 23.41 H new ATOM 0 HE ARG A 10 -8.163 9.011 -1.811 1.00 53.22 H new ATOM 0 HH11 ARG A 10 -9.799 11.194 -4.057 1.00 23.53 H new ATOM 0 HH12 ARG A 10 -10.911 9.946 -4.629 1.00 23.53 H new ATOM 0 HH21 ARG A 10 -9.558 7.420 -2.580 1.00 34.24 H new ATOM 0 HH22 ARG A 10 -10.775 7.820 -3.797 1.00 34.24 H new ATOM 159 N CYS A 11 -3.479 9.933 -1.281 1.00 52.12 N ATOM 160 CA CYS A 11 -2.929 8.678 -1.713 1.00 24.41 C ATOM 161 C CYS A 11 -3.713 7.519 -1.117 1.00 12.03 C ATOM 162 O CYS A 11 -4.109 7.550 0.058 1.00 3.03 O ATOM 163 CB CYS A 11 -1.453 8.563 -1.313 1.00 14.13 C ATOM 164 SG CYS A 11 -0.390 9.876 -1.956 1.00 62.44 S ATOM 0 H CYS A 11 -3.685 9.982 -0.283 1.00 52.12 H new ATOM 0 HA CYS A 11 -3.002 8.636 -2.800 1.00 24.41 H new ATOM 0 HB2 CYS A 11 -1.385 8.560 -0.225 1.00 14.13 H new ATOM 0 HB3 CYS A 11 -1.071 7.603 -1.659 1.00 14.13 H new ATOM 0 HG CYS A 11 -0.179 10.759 -1.025 1.00 62.44 H new ATOM 170 N SER A 12 -3.946 6.520 -1.924 1.00 23.22 N ATOM 171 CA SER A 12 -4.587 5.318 -1.483 1.00 12.22 C ATOM 172 C SER A 12 -3.496 4.302 -1.175 1.00 23.14 C ATOM 173 O SER A 12 -2.376 4.426 -1.681 1.00 42.13 O ATOM 174 CB SER A 12 -5.537 4.809 -2.561 1.00 55.52 C ATOM 175 OG SER A 12 -6.474 5.817 -2.928 1.00 22.40 O ATOM 0 H SER A 12 -3.693 6.520 -2.912 1.00 23.22 H new ATOM 0 HA SER A 12 -5.183 5.496 -0.588 1.00 12.22 H new ATOM 0 HB2 SER A 12 -4.967 4.500 -3.437 1.00 55.52 H new ATOM 0 HB3 SER A 12 -6.067 3.928 -2.198 1.00 55.52 H new ATOM 0 HG SER A 12 -6.779 6.288 -2.125 1.00 22.40 H new ATOM 181 N HIS A 13 -3.793 3.309 -0.364 1.00 22.12 N ATOM 182 CA HIS A 13 -2.744 2.412 0.093 1.00 41.13 C ATOM 183 C HIS A 13 -3.225 0.989 0.321 1.00 23.34 C ATOM 184 O HIS A 13 -4.308 0.761 0.852 1.00 32.20 O ATOM 185 CB HIS A 13 -2.117 2.958 1.389 1.00 63.34 C ATOM 186 CG HIS A 13 -3.090 3.079 2.537 1.00 20.13 C ATOM 187 ND1 HIS A 13 -2.858 2.541 3.776 1.00 64.02 N ATOM 188 CD2 HIS A 13 -4.297 3.688 2.621 1.00 10.54 C ATOM 189 CE1 HIS A 13 -3.873 2.807 4.568 1.00 43.21 C ATOM 190 NE2 HIS A 13 -4.758 3.501 3.891 1.00 3.32 N ATOM 0 H HIS A 13 -4.728 3.102 -0.012 1.00 22.12 H new ATOM 0 HA HIS A 13 -2.002 2.371 -0.704 1.00 41.13 H new ATOM 0 HB2 HIS A 13 -1.298 2.304 1.688 1.00 63.34 H new ATOM 0 HB3 HIS A 13 -1.685 3.938 1.187 1.00 63.34 H new ATOM 0 HD2 HIS A 13 -4.801 4.222 1.829 1.00 10.54 H new ATOM 0 HE1 HIS A 13 -3.963 2.505 5.601 1.00 43.21 H new ATOM 0 HE2 HIS A 13 -5.646 3.845 4.256 1.00 3.32 H new ATOM 199 N LEU A 14 -2.397 0.047 -0.081 1.00 73.44 N ATOM 200 CA LEU A 14 -2.638 -1.364 0.154 1.00 1.15 C ATOM 201 C LEU A 14 -1.533 -1.907 1.049 1.00 42.12 C ATOM 202 O LEU A 14 -0.362 -1.884 0.673 1.00 4.55 O ATOM 203 CB LEU A 14 -2.666 -2.141 -1.172 1.00 0.33 C ATOM 204 CG LEU A 14 -2.768 -3.671 -1.052 1.00 53.32 C ATOM 205 CD1 LEU A 14 -4.077 -4.081 -0.428 1.00 5.31 C ATOM 206 CD2 LEU A 14 -2.602 -4.330 -2.407 1.00 5.15 C ATOM 0 H LEU A 14 -1.531 0.239 -0.584 1.00 73.44 H new ATOM 0 HA LEU A 14 -3.607 -1.486 0.638 1.00 1.15 H new ATOM 0 HB2 LEU A 14 -3.511 -1.785 -1.762 1.00 0.33 H new ATOM 0 HB3 LEU A 14 -1.762 -1.899 -1.732 1.00 0.33 H new ATOM 0 HG LEU A 14 -1.960 -4.007 -0.402 1.00 53.32 H new ATOM 0 HD11 LEU A 14 -4.121 -5.168 -0.356 1.00 5.31 H new ATOM 0 HD12 LEU A 14 -4.156 -3.648 0.569 1.00 5.31 H new ATOM 0 HD13 LEU A 14 -4.902 -3.725 -1.045 1.00 5.31 H new ATOM 0 HD21 LEU A 14 -2.678 -5.412 -2.297 1.00 5.15 H new ATOM 0 HD22 LEU A 14 -3.383 -3.978 -3.081 1.00 5.15 H new ATOM 0 HD23 LEU A 14 -1.626 -4.075 -2.819 1.00 5.15 H new ATOM 218 N LEU A 15 -1.896 -2.354 2.233 1.00 21.22 N ATOM 219 CA LEU A 15 -0.920 -2.897 3.165 1.00 63.14 C ATOM 220 C LEU A 15 -1.087 -4.395 3.313 1.00 71.24 C ATOM 221 O LEU A 15 -2.179 -4.884 3.618 1.00 51.33 O ATOM 222 CB LEU A 15 -1.020 -2.192 4.533 1.00 31.54 C ATOM 223 CG LEU A 15 -0.236 -2.835 5.700 1.00 13.51 C ATOM 224 CD1 LEU A 15 1.216 -3.071 5.327 1.00 73.44 C ATOM 225 CD2 LEU A 15 -0.315 -1.958 6.939 1.00 73.11 C ATOM 0 H LEU A 15 -2.857 -2.354 2.576 1.00 21.22 H new ATOM 0 HA LEU A 15 0.075 -2.710 2.760 1.00 63.14 H new ATOM 0 HB2 LEU A 15 -0.673 -1.166 4.414 1.00 31.54 H new ATOM 0 HB3 LEU A 15 -2.072 -2.142 4.815 1.00 31.54 H new ATOM 0 HG LEU A 15 -0.694 -3.800 5.914 1.00 13.51 H new ATOM 0 HD11 LEU A 15 1.739 -3.524 6.169 1.00 73.44 H new ATOM 0 HD12 LEU A 15 1.267 -3.739 4.467 1.00 73.44 H new ATOM 0 HD13 LEU A 15 1.687 -2.120 5.077 1.00 73.44 H new ATOM 0 HD21 LEU A 15 0.242 -2.425 7.751 1.00 73.11 H new ATOM 0 HD22 LEU A 15 0.114 -0.980 6.720 1.00 73.11 H new ATOM 0 HD23 LEU A 15 -1.357 -1.839 7.235 1.00 73.11 H new ATOM 237 N VAL A 16 -0.008 -5.114 3.082 1.00 55.31 N ATOM 238 CA VAL A 16 0.004 -6.555 3.200 1.00 55.02 C ATOM 239 C VAL A 16 1.100 -6.989 4.188 1.00 10.12 C ATOM 240 O VAL A 16 2.219 -6.453 4.171 1.00 61.23 O ATOM 241 CB VAL A 16 0.223 -7.226 1.811 1.00 22.12 C ATOM 242 CG1 VAL A 16 1.584 -6.874 1.237 1.00 3.53 C ATOM 243 CG2 VAL A 16 0.047 -8.731 1.890 1.00 5.21 C ATOM 0 H VAL A 16 0.888 -4.712 2.806 1.00 55.31 H new ATOM 0 HA VAL A 16 -0.965 -6.880 3.579 1.00 55.02 H new ATOM 0 HB VAL A 16 -0.539 -6.834 1.137 1.00 22.12 H new ATOM 0 HG11 VAL A 16 1.706 -7.357 0.268 1.00 3.53 H new ATOM 0 HG12 VAL A 16 1.659 -5.793 1.116 1.00 3.53 H new ATOM 0 HG13 VAL A 16 2.365 -7.218 1.915 1.00 3.53 H new ATOM 0 HG21 VAL A 16 0.207 -9.168 0.904 1.00 5.21 H new ATOM 0 HG22 VAL A 16 0.770 -9.146 2.592 1.00 5.21 H new ATOM 0 HG23 VAL A 16 -0.962 -8.962 2.230 1.00 5.21 H new ATOM 253 N LYS A 17 0.770 -7.926 5.060 1.00 54.54 N ATOM 254 CA LYS A 17 1.717 -8.416 6.050 1.00 50.05 C ATOM 255 C LYS A 17 2.601 -9.514 5.480 1.00 54.20 C ATOM 256 O LYS A 17 2.467 -9.911 4.320 1.00 11.53 O ATOM 257 CB LYS A 17 0.997 -8.956 7.292 1.00 45.55 C ATOM 258 CG LYS A 17 0.284 -7.913 8.130 1.00 2.00 C ATOM 259 CD LYS A 17 -0.200 -8.526 9.436 1.00 62.00 C ATOM 260 CE LYS A 17 -0.991 -7.537 10.278 1.00 31.30 C ATOM 261 NZ LYS A 17 -2.263 -7.162 9.637 1.00 73.23 N ATOM 0 H LYS A 17 -0.150 -8.365 5.103 1.00 54.54 H new ATOM 0 HA LYS A 17 2.338 -7.566 6.333 1.00 50.05 H new ATOM 0 HB2 LYS A 17 0.269 -9.703 6.974 1.00 45.55 H new ATOM 0 HB3 LYS A 17 1.726 -9.468 7.921 1.00 45.55 H new ATOM 0 HG2 LYS A 17 0.957 -7.081 8.338 1.00 2.00 H new ATOM 0 HG3 LYS A 17 -0.562 -7.507 7.575 1.00 2.00 H new ATOM 0 HD2 LYS A 17 -0.822 -9.394 9.219 1.00 62.00 H new ATOM 0 HD3 LYS A 17 0.657 -8.883 10.007 1.00 62.00 H new ATOM 0 HE2 LYS A 17 -1.193 -7.973 11.256 1.00 31.30 H new ATOM 0 HE3 LYS A 17 -0.391 -6.642 10.445 1.00 31.30 H new ATOM 0 HZ1 LYS A 17 -2.853 -6.640 10.316 1.00 73.23 H new ATOM 0 HZ2 LYS A 17 -2.071 -6.561 8.810 1.00 73.23 H new ATOM 0 HZ3 LYS A 17 -2.764 -8.021 9.332 1.00 73.23 H new ATOM 275 N HIS A 18 3.492 -10.007 6.316 1.00 21.45 N ATOM 276 CA HIS A 18 4.400 -11.076 5.963 1.00 25.35 C ATOM 277 C HIS A 18 4.698 -11.899 7.200 1.00 31.21 C ATOM 278 O HIS A 18 4.601 -11.387 8.312 1.00 30.23 O ATOM 279 CB HIS A 18 5.696 -10.533 5.325 1.00 73.15 C ATOM 280 CG HIS A 18 6.263 -9.310 5.992 1.00 40.23 C ATOM 281 ND1 HIS A 18 6.845 -9.323 7.238 1.00 23.31 N ATOM 282 CD2 HIS A 18 6.325 -8.028 5.568 1.00 14.12 C ATOM 283 CE1 HIS A 18 7.237 -8.101 7.550 1.00 55.31 C ATOM 284 NE2 HIS A 18 6.936 -7.297 6.554 1.00 54.23 N ATOM 0 H HIS A 18 3.606 -9.671 7.272 1.00 21.45 H new ATOM 0 HA HIS A 18 3.927 -11.711 5.214 1.00 25.35 H new ATOM 0 HB2 HIS A 18 6.450 -11.320 5.341 1.00 73.15 H new ATOM 0 HB3 HIS A 18 5.499 -10.301 4.278 1.00 73.15 H new ATOM 0 HD2 HIS A 18 5.960 -7.649 4.625 1.00 14.12 H new ATOM 0 HE1 HIS A 18 7.723 -7.811 8.469 1.00 55.31 H new ATOM 0 HE2 HIS A 18 7.126 -6.295 6.520 1.00 54.23 H new ATOM 293 N SER A 19 5.041 -13.164 6.993 1.00 61.14 N ATOM 294 CA SER A 19 5.291 -14.119 8.077 1.00 55.23 C ATOM 295 C SER A 19 6.140 -13.521 9.204 1.00 73.43 C ATOM 296 O SER A 19 5.752 -13.576 10.375 1.00 32.54 O ATOM 297 CB SER A 19 5.955 -15.380 7.519 1.00 62.32 C ATOM 298 OG SER A 19 5.970 -16.421 8.477 1.00 5.43 O ATOM 0 H SER A 19 5.156 -13.564 6.062 1.00 61.14 H new ATOM 0 HA SER A 19 4.325 -14.376 8.512 1.00 55.23 H new ATOM 0 HB2 SER A 19 5.421 -15.711 6.628 1.00 62.32 H new ATOM 0 HB3 SER A 19 6.975 -15.151 7.212 1.00 62.32 H new ATOM 0 HG SER A 19 5.056 -16.595 8.786 1.00 5.43 H new ATOM 304 N GLN A 20 7.277 -12.939 8.858 1.00 63.34 N ATOM 305 CA GLN A 20 8.146 -12.354 9.863 1.00 54.05 C ATOM 306 C GLN A 20 7.799 -10.893 10.104 1.00 65.30 C ATOM 307 O GLN A 20 8.573 -9.991 9.772 1.00 10.23 O ATOM 308 CB GLN A 20 9.618 -12.502 9.474 1.00 52.11 C ATOM 309 CG GLN A 20 10.062 -13.941 9.314 1.00 2.33 C ATOM 310 CD GLN A 20 9.823 -14.761 10.562 1.00 41.01 C ATOM 311 OE1 GLN A 20 8.756 -15.347 10.734 1.00 4.34 O ATOM 312 NE2 GLN A 20 10.810 -14.812 11.435 1.00 12.00 N ATOM 0 H GLN A 20 7.616 -12.860 7.899 1.00 63.34 H new ATOM 0 HA GLN A 20 7.986 -12.898 10.794 1.00 54.05 H new ATOM 0 HB2 GLN A 20 9.793 -11.971 8.539 1.00 52.11 H new ATOM 0 HB3 GLN A 20 10.236 -12.022 10.233 1.00 52.11 H new ATOM 0 HG2 GLN A 20 9.527 -14.392 8.478 1.00 2.33 H new ATOM 0 HG3 GLN A 20 11.123 -13.965 9.064 1.00 2.33 H new ATOM 0 HE21 GLN A 20 11.679 -14.310 11.252 1.00 12.00 H new ATOM 0 HE22 GLN A 20 10.704 -15.353 12.293 1.00 12.00 H new ATOM 321 N SER A 21 6.615 -10.661 10.627 1.00 1.32 N ATOM 322 CA SER A 21 6.179 -9.324 10.961 1.00 54.12 C ATOM 323 C SER A 21 6.112 -9.168 12.476 1.00 40.31 C ATOM 324 O SER A 21 6.198 -10.155 13.214 1.00 33.04 O ATOM 325 CB SER A 21 4.811 -9.030 10.330 1.00 40.03 C ATOM 326 OG SER A 21 4.412 -7.694 10.573 1.00 31.11 O ATOM 0 H SER A 21 5.931 -11.390 10.832 1.00 1.32 H new ATOM 0 HA SER A 21 6.898 -8.608 10.562 1.00 54.12 H new ATOM 0 HB2 SER A 21 4.857 -9.209 9.256 1.00 40.03 H new ATOM 0 HB3 SER A 21 4.066 -9.714 10.736 1.00 40.03 H new ATOM 0 HG SER A 21 4.382 -7.202 9.726 1.00 31.11 H new ATOM 332 N ARG A 22 5.951 -7.937 12.933 1.00 61.53 N ATOM 333 CA ARG A 22 5.871 -7.652 14.357 1.00 11.21 C ATOM 334 C ARG A 22 4.566 -8.187 14.927 1.00 2.43 C ATOM 335 O ARG A 22 4.460 -8.467 16.120 1.00 63.22 O ATOM 336 CB ARG A 22 5.972 -6.153 14.605 1.00 12.34 C ATOM 337 CG ARG A 22 7.197 -5.509 13.987 1.00 22.12 C ATOM 338 CD ARG A 22 7.237 -4.027 14.279 1.00 23.41 C ATOM 339 NE ARG A 22 8.346 -3.363 13.603 1.00 10.53 N ATOM 340 CZ ARG A 22 8.444 -2.046 13.452 1.00 72.30 C ATOM 341 NH1 ARG A 22 7.517 -1.242 13.970 1.00 4.22 N ATOM 342 NH2 ARG A 22 9.467 -1.529 12.793 1.00 12.43 N ATOM 0 H ARG A 22 5.873 -7.115 12.335 1.00 61.53 H new ATOM 0 HA ARG A 22 6.704 -8.146 14.857 1.00 11.21 H new ATOM 0 HB2 ARG A 22 5.080 -5.668 14.209 1.00 12.34 H new ATOM 0 HB3 ARG A 22 5.982 -5.972 15.680 1.00 12.34 H new ATOM 0 HG2 ARG A 22 8.097 -5.984 14.377 1.00 22.12 H new ATOM 0 HG3 ARG A 22 7.192 -5.671 12.909 1.00 22.12 H new ATOM 0 HD2 ARG A 22 6.298 -3.571 13.966 1.00 23.41 H new ATOM 0 HD3 ARG A 22 7.324 -3.872 15.354 1.00 23.41 H new ATOM 0 HE ARG A 22 9.092 -3.945 13.223 1.00 10.53 H new ATOM 0 HH11 ARG A 22 6.729 -1.637 14.484 1.00 4.22 H new ATOM 0 HH12 ARG A 22 7.595 -0.232 13.853 1.00 4.22 H new ATOM 0 HH21 ARG A 22 10.182 -2.141 12.400 1.00 12.43 H new ATOM 0 HH22 ARG A 22 9.541 -0.518 12.678 1.00 12.43 H new ATOM 356 N ARG A 23 3.576 -8.316 14.069 1.00 24.23 N ATOM 357 CA ARG A 23 2.288 -8.859 14.450 1.00 54.43 C ATOM 358 C ARG A 23 1.622 -9.481 13.230 1.00 61.03 C ATOM 359 O ARG A 23 0.902 -8.806 12.499 1.00 62.44 O ATOM 360 CB ARG A 23 1.393 -7.764 15.044 1.00 53.30 C ATOM 361 CG ARG A 23 0.082 -8.273 15.632 1.00 42.04 C ATOM 362 CD ARG A 23 0.322 -9.168 16.838 1.00 1.24 C ATOM 363 NE ARG A 23 -0.930 -9.587 17.468 1.00 63.01 N ATOM 364 CZ ARG A 23 -1.017 -10.131 18.686 1.00 3.14 C ATOM 365 NH1 ARG A 23 0.081 -10.321 19.415 1.00 43.31 N ATOM 366 NH2 ARG A 23 -2.203 -10.479 19.174 1.00 33.02 N ATOM 0 H ARG A 23 3.641 -8.047 13.087 1.00 24.23 H new ATOM 0 HA ARG A 23 2.436 -9.624 15.212 1.00 54.43 H new ATOM 0 HB2 ARG A 23 1.948 -7.241 15.823 1.00 53.30 H new ATOM 0 HB3 ARG A 23 1.169 -7.033 14.267 1.00 53.30 H new ATOM 0 HG2 ARG A 23 -0.540 -7.427 15.924 1.00 42.04 H new ATOM 0 HG3 ARG A 23 -0.469 -8.826 14.871 1.00 42.04 H new ATOM 0 HD2 ARG A 23 0.885 -10.049 16.529 1.00 1.24 H new ATOM 0 HD3 ARG A 23 0.935 -8.637 17.567 1.00 1.24 H new ATOM 0 HE ARG A 23 -1.794 -9.455 16.943 1.00 63.01 H new ATOM 0 HH11 ARG A 23 0.992 -10.051 19.044 1.00 43.31 H new ATOM 0 HH12 ARG A 23 0.011 -10.736 20.344 1.00 43.31 H new ATOM 0 HH21 ARG A 23 -3.046 -10.331 18.619 1.00 33.02 H new ATOM 0 HH22 ARG A 23 -2.270 -10.894 20.103 1.00 33.02 H new ATOM 380 N PRO A 24 1.884 -10.766 12.972 1.00 60.33 N ATOM 381 CA PRO A 24 1.334 -11.475 11.820 1.00 61.43 C ATOM 382 C PRO A 24 -0.107 -11.945 12.052 1.00 54.31 C ATOM 383 O PRO A 24 -0.413 -13.128 11.927 1.00 4.04 O ATOM 384 CB PRO A 24 2.275 -12.690 11.658 1.00 61.23 C ATOM 385 CG PRO A 24 3.315 -12.557 12.735 1.00 55.13 C ATOM 386 CD PRO A 24 2.744 -11.637 13.768 1.00 24.10 C ATOM 0 HA PRO A 24 1.286 -10.835 10.939 1.00 61.43 H new ATOM 0 HB2 PRO A 24 1.725 -13.625 11.760 1.00 61.23 H new ATOM 0 HB3 PRO A 24 2.736 -12.698 10.670 1.00 61.23 H new ATOM 0 HG2 PRO A 24 3.550 -13.529 13.169 1.00 55.13 H new ATOM 0 HG3 PRO A 24 4.244 -12.156 12.330 1.00 55.13 H new ATOM 0 HD2 PRO A 24 2.181 -12.179 14.528 1.00 24.10 H new ATOM 0 HD3 PRO A 24 3.522 -11.076 14.287 1.00 24.10 H new ATOM 394 N SER A 25 -0.983 -11.010 12.375 1.00 2.45 N ATOM 395 CA SER A 25 -2.386 -11.314 12.604 1.00 54.31 C ATOM 396 C SER A 25 -3.268 -10.263 11.950 1.00 32.04 C ATOM 397 O SER A 25 -3.113 -9.068 12.212 1.00 41.24 O ATOM 398 CB SER A 25 -2.673 -11.380 14.101 1.00 73.11 C ATOM 399 OG SER A 25 -1.887 -12.381 14.725 1.00 72.10 O ATOM 0 H SER A 25 -0.745 -10.024 12.486 1.00 2.45 H new ATOM 0 HA SER A 25 -2.609 -12.284 12.159 1.00 54.31 H new ATOM 0 HB2 SER A 25 -2.466 -10.412 14.558 1.00 73.11 H new ATOM 0 HB3 SER A 25 -3.730 -11.589 14.263 1.00 73.11 H new ATOM 0 HG SER A 25 -2.028 -13.238 14.271 1.00 72.10 H new ATOM 405 N SER A 26 -4.185 -10.698 11.108 1.00 12.53 N ATOM 406 CA SER A 26 -5.059 -9.784 10.400 1.00 11.30 C ATOM 407 C SER A 26 -6.534 -10.158 10.582 1.00 11.35 C ATOM 408 O SER A 26 -6.856 -11.166 11.218 1.00 52.15 O ATOM 409 CB SER A 26 -4.686 -9.765 8.927 1.00 52.42 C ATOM 410 OG SER A 26 -3.310 -9.449 8.771 1.00 61.42 O ATOM 0 H SER A 26 -4.344 -11.683 10.897 1.00 12.53 H new ATOM 0 HA SER A 26 -4.927 -8.786 10.819 1.00 11.30 H new ATOM 0 HB2 SER A 26 -4.896 -10.736 8.479 1.00 52.42 H new ATOM 0 HB3 SER A 26 -5.297 -9.032 8.400 1.00 52.42 H new ATOM 0 HG SER A 26 -2.925 -10.004 8.060 1.00 61.42 H new ATOM 415 N TRP A 27 -7.421 -9.336 10.022 1.00 10.14 N ATOM 416 CA TRP A 27 -8.869 -9.533 10.142 1.00 23.41 C ATOM 417 C TRP A 27 -9.351 -10.793 9.413 1.00 60.34 C ATOM 418 O TRP A 27 -10.331 -11.417 9.826 1.00 61.42 O ATOM 419 CB TRP A 27 -9.635 -8.283 9.654 1.00 20.02 C ATOM 420 CG TRP A 27 -9.398 -7.917 8.211 1.00 24.22 C ATOM 421 CD1 TRP A 27 -8.224 -7.513 7.645 1.00 61.22 C ATOM 422 CD2 TRP A 27 -10.372 -7.899 7.160 1.00 24.24 C ATOM 423 NE1 TRP A 27 -8.405 -7.264 6.313 1.00 0.11 N ATOM 424 CE2 TRP A 27 -9.712 -7.488 5.988 1.00 14.15 C ATOM 425 CE3 TRP A 27 -11.735 -8.195 7.094 1.00 34.22 C ATOM 426 CZ2 TRP A 27 -10.365 -7.364 4.765 1.00 61.44 C ATOM 427 CZ3 TRP A 27 -12.384 -8.069 5.880 1.00 65.55 C ATOM 428 CH2 TRP A 27 -11.698 -7.660 4.731 1.00 65.31 C ATOM 0 H TRP A 27 -7.159 -8.517 9.474 1.00 10.14 H new ATOM 0 HA TRP A 27 -9.084 -9.680 11.200 1.00 23.41 H new ATOM 0 HB2 TRP A 27 -10.702 -8.448 9.801 1.00 20.02 H new ATOM 0 HB3 TRP A 27 -9.354 -7.436 10.280 1.00 20.02 H new ATOM 0 HD1 TRP A 27 -7.288 -7.406 8.173 1.00 61.22 H new ATOM 0 HE1 TRP A 27 -7.679 -6.959 5.665 1.00 0.11 H new ATOM 0 HE3 TRP A 27 -12.272 -8.516 7.974 1.00 34.22 H new ATOM 0 HZ2 TRP A 27 -9.838 -7.046 3.877 1.00 61.44 H new ATOM 0 HZ3 TRP A 27 -13.439 -8.290 5.817 1.00 65.55 H new ATOM 0 HH2 TRP A 27 -12.234 -7.577 3.797 1.00 65.31 H new ATOM 439 N ARG A 28 -8.680 -11.159 8.330 1.00 1.32 N ATOM 440 CA ARG A 28 -9.036 -12.372 7.603 1.00 14.44 C ATOM 441 C ARG A 28 -8.325 -13.562 8.212 1.00 23.33 C ATOM 442 O ARG A 28 -8.956 -14.489 8.723 1.00 45.02 O ATOM 443 CB ARG A 28 -8.672 -12.258 6.124 1.00 35.32 C ATOM 444 CG ARG A 28 -9.441 -11.190 5.370 1.00 2.44 C ATOM 445 CD ARG A 28 -8.998 -11.114 3.917 1.00 35.14 C ATOM 446 NE ARG A 28 -9.156 -12.399 3.222 1.00 45.25 N ATOM 447 CZ ARG A 28 -9.460 -12.523 1.929 1.00 5.01 C ATOM 448 NH1 ARG A 28 -9.632 -11.445 1.178 1.00 73.42 N ATOM 449 NH2 ARG A 28 -9.584 -13.730 1.384 1.00 52.21 N ATOM 0 H ARG A 28 -7.894 -10.641 7.938 1.00 1.32 H new ATOM 0 HA ARG A 28 -10.115 -12.509 7.680 1.00 14.44 H new ATOM 0 HB2 ARG A 28 -7.606 -12.048 6.040 1.00 35.32 H new ATOM 0 HB3 ARG A 28 -8.846 -13.221 5.644 1.00 35.32 H new ATOM 0 HG2 ARG A 28 -10.508 -11.406 5.416 1.00 2.44 H new ATOM 0 HG3 ARG A 28 -9.290 -10.223 5.850 1.00 2.44 H new ATOM 0 HD2 ARG A 28 -9.579 -10.350 3.401 1.00 35.14 H new ATOM 0 HD3 ARG A 28 -7.954 -10.805 3.873 1.00 35.14 H new ATOM 0 HE ARG A 28 -9.025 -13.253 3.764 1.00 45.25 H new ATOM 0 HH11 ARG A 28 -9.532 -10.516 1.588 1.00 73.42 H new ATOM 0 HH12 ARG A 28 -9.864 -11.544 0.190 1.00 73.42 H new ATOM 0 HH21 ARG A 28 -9.447 -14.564 1.955 1.00 52.21 H new ATOM 0 HH22 ARG A 28 -9.817 -13.822 0.395 1.00 52.21 H new ATOM 463 N GLN A 29 -7.013 -13.524 8.166 1.00 25.14 N ATOM 464 CA GLN A 29 -6.201 -14.583 8.714 1.00 30.02 C ATOM 465 C GLN A 29 -5.431 -14.099 9.924 1.00 14.14 C ATOM 466 O GLN A 29 -4.750 -13.077 9.871 1.00 42.12 O ATOM 467 CB GLN A 29 -5.263 -15.153 7.647 1.00 65.32 C ATOM 468 CG GLN A 29 -4.692 -14.115 6.697 1.00 73.12 C ATOM 469 CD GLN A 29 -3.833 -14.731 5.612 1.00 25.55 C ATOM 470 OE1 GLN A 29 -3.799 -14.244 4.485 1.00 12.24 O ATOM 471 NE2 GLN A 29 -3.113 -15.781 5.949 1.00 4.24 N ATOM 0 H GLN A 29 -6.481 -12.760 7.749 1.00 25.14 H new ATOM 0 HA GLN A 29 -6.860 -15.387 9.041 1.00 30.02 H new ATOM 0 HB2 GLN A 29 -4.439 -15.668 8.142 1.00 65.32 H new ATOM 0 HB3 GLN A 29 -5.804 -15.901 7.067 1.00 65.32 H new ATOM 0 HG2 GLN A 29 -5.509 -13.560 6.237 1.00 73.12 H new ATOM 0 HG3 GLN A 29 -4.098 -13.397 7.263 1.00 73.12 H new ATOM 0 HE21 GLN A 29 -3.170 -16.156 6.896 1.00 4.24 H new ATOM 0 HE22 GLN A 29 -2.499 -16.220 5.263 1.00 4.24 H new ATOM 480 N GLU A 30 -5.553 -14.829 11.017 1.00 20.22 N ATOM 481 CA GLU A 30 -4.901 -14.462 12.259 1.00 30.21 C ATOM 482 C GLU A 30 -3.443 -14.916 12.260 1.00 45.43 C ATOM 483 O GLU A 30 -2.648 -14.488 13.096 1.00 1.54 O ATOM 484 CB GLU A 30 -5.662 -15.052 13.448 1.00 14.24 C ATOM 485 CG GLU A 30 -5.266 -14.466 14.791 1.00 31.34 C ATOM 486 CD GLU A 30 -6.124 -14.982 15.923 1.00 25.43 C ATOM 487 OE1 GLU A 30 -5.799 -16.057 16.484 1.00 41.55 O ATOM 488 OE2 GLU A 30 -7.129 -14.316 16.263 1.00 43.04 O ATOM 0 H GLU A 30 -6.103 -15.687 11.069 1.00 20.22 H new ATOM 0 HA GLU A 30 -4.910 -13.376 12.350 1.00 30.21 H new ATOM 0 HB2 GLU A 30 -6.730 -14.895 13.296 1.00 14.24 H new ATOM 0 HB3 GLU A 30 -5.498 -16.129 13.472 1.00 14.24 H new ATOM 0 HG2 GLU A 30 -4.222 -14.703 14.994 1.00 31.34 H new ATOM 0 HG3 GLU A 30 -5.343 -13.380 14.747 1.00 31.34 H new ATOM 495 N LYS A 31 -3.101 -15.783 11.322 1.00 62.32 N ATOM 496 CA LYS A 31 -1.733 -16.236 11.172 1.00 61.32 C ATOM 497 C LYS A 31 -1.258 -15.951 9.755 1.00 11.34 C ATOM 498 O LYS A 31 -2.015 -16.114 8.790 1.00 42.21 O ATOM 499 CB LYS A 31 -1.599 -17.735 11.494 1.00 65.13 C ATOM 500 CG LYS A 31 -2.336 -18.655 10.531 1.00 63.54 C ATOM 501 CD LYS A 31 -2.038 -20.114 10.821 1.00 13.25 C ATOM 502 CE LYS A 31 -2.666 -21.025 9.780 1.00 5.31 C ATOM 503 NZ LYS A 31 -2.372 -22.453 10.048 1.00 31.53 N ATOM 0 H LYS A 31 -3.756 -16.187 10.652 1.00 62.32 H new ATOM 0 HA LYS A 31 -1.108 -15.693 11.881 1.00 61.32 H new ATOM 0 HB2 LYS A 31 -0.542 -18.001 11.494 1.00 65.13 H new ATOM 0 HB3 LYS A 31 -1.972 -17.912 12.503 1.00 65.13 H new ATOM 0 HG2 LYS A 31 -3.409 -18.479 10.607 1.00 63.54 H new ATOM 0 HG3 LYS A 31 -2.046 -18.420 9.507 1.00 63.54 H new ATOM 0 HD2 LYS A 31 -0.959 -20.270 10.840 1.00 13.25 H new ATOM 0 HD3 LYS A 31 -2.415 -20.375 11.810 1.00 13.25 H new ATOM 0 HE2 LYS A 31 -3.745 -20.872 9.767 1.00 5.31 H new ATOM 0 HE3 LYS A 31 -2.294 -20.757 8.791 1.00 5.31 H new ATOM 0 HZ1 LYS A 31 -2.818 -23.042 9.316 1.00 31.53 H new ATOM 0 HZ2 LYS A 31 -1.343 -22.604 10.035 1.00 31.53 H new ATOM 0 HZ3 LYS A 31 -2.749 -22.716 10.981 1.00 31.53 H new ATOM 517 N ILE A 32 -0.026 -15.509 9.624 1.00 0.13 N ATOM 518 CA ILE A 32 0.517 -15.190 8.320 1.00 23.25 C ATOM 519 C ILE A 32 1.650 -16.144 7.960 1.00 54.41 C ATOM 520 O ILE A 32 2.771 -16.017 8.462 1.00 31.13 O ATOM 521 CB ILE A 32 1.025 -13.724 8.244 1.00 51.00 C ATOM 522 CG1 ILE A 32 -0.086 -12.733 8.637 1.00 12.43 C ATOM 523 CG2 ILE A 32 1.541 -13.408 6.847 1.00 72.43 C ATOM 524 CD1 ILE A 32 -1.301 -12.764 7.729 1.00 72.33 C ATOM 0 H ILE A 32 0.618 -15.362 10.402 1.00 0.13 H new ATOM 0 HA ILE A 32 -0.295 -15.304 7.602 1.00 23.25 H new ATOM 0 HB ILE A 32 1.846 -13.617 8.953 1.00 51.00 H new ATOM 0 HG12 ILE A 32 -0.404 -12.948 9.657 1.00 12.43 H new ATOM 0 HG13 ILE A 32 0.327 -11.724 8.638 1.00 12.43 H new ATOM 0 HG21 ILE A 32 1.892 -12.377 6.814 1.00 72.43 H new ATOM 0 HG22 ILE A 32 2.364 -14.080 6.602 1.00 72.43 H new ATOM 0 HG23 ILE A 32 0.737 -13.541 6.123 1.00 72.43 H new ATOM 0 HD11 ILE A 32 -2.034 -12.036 8.077 1.00 72.33 H new ATOM 0 HD12 ILE A 32 -1.001 -12.518 6.711 1.00 72.33 H new ATOM 0 HD13 ILE A 32 -1.743 -13.760 7.746 1.00 72.33 H new ATOM 536 N THR A 33 1.346 -17.107 7.109 1.00 43.24 N ATOM 537 CA THR A 33 2.334 -18.067 6.662 1.00 41.30 C ATOM 538 C THR A 33 3.179 -17.473 5.538 1.00 31.55 C ATOM 539 O THR A 33 4.402 -17.647 5.507 1.00 31.31 O ATOM 540 CB THR A 33 1.662 -19.369 6.172 1.00 53.14 C ATOM 541 OG1 THR A 33 0.672 -19.064 5.179 1.00 41.41 O ATOM 542 CG2 THR A 33 1.006 -20.107 7.329 1.00 41.15 C ATOM 0 H THR A 33 0.416 -17.244 6.712 1.00 43.24 H new ATOM 0 HA THR A 33 2.976 -18.305 7.510 1.00 41.30 H new ATOM 0 HB THR A 33 2.432 -20.008 5.739 1.00 53.14 H new ATOM 0 HG1 THR A 33 0.251 -19.894 4.871 1.00 41.41 H new ATOM 0 HG21 THR A 33 0.539 -21.020 6.960 1.00 41.15 H new ATOM 0 HG22 THR A 33 1.761 -20.360 8.074 1.00 41.15 H new ATOM 0 HG23 THR A 33 0.247 -19.470 7.783 1.00 41.15 H new ATOM 550 N ARG A 34 2.508 -16.766 4.627 1.00 40.03 N ATOM 551 CA ARG A 34 3.155 -16.118 3.485 1.00 31.30 C ATOM 552 C ARG A 34 4.310 -15.222 3.917 1.00 23.23 C ATOM 553 O ARG A 34 4.122 -14.244 4.645 1.00 14.44 O ATOM 554 CB ARG A 34 2.130 -15.312 2.670 1.00 11.55 C ATOM 555 CG ARG A 34 1.114 -14.562 3.520 1.00 74.12 C ATOM 556 CD ARG A 34 0.238 -13.652 2.678 1.00 23.23 C ATOM 557 NE ARG A 34 -1.012 -13.308 3.364 1.00 61.04 N ATOM 558 CZ ARG A 34 -1.313 -12.100 3.866 1.00 12.44 C ATOM 559 NH1 ARG A 34 -0.417 -11.125 3.867 1.00 23.13 N ATOM 560 NH2 ARG A 34 -2.507 -11.884 4.391 1.00 2.43 N ATOM 0 H ARG A 34 1.498 -16.626 4.661 1.00 40.03 H new ATOM 0 HA ARG A 34 3.568 -16.907 2.856 1.00 31.30 H new ATOM 0 HB2 ARG A 34 2.662 -14.597 2.043 1.00 11.55 H new ATOM 0 HB3 ARG A 34 1.599 -15.990 2.001 1.00 11.55 H new ATOM 0 HG2 ARG A 34 0.488 -15.277 4.054 1.00 74.12 H new ATOM 0 HG3 ARG A 34 1.635 -13.970 4.273 1.00 74.12 H new ATOM 0 HD2 ARG A 34 0.785 -12.739 2.441 1.00 23.23 H new ATOM 0 HD3 ARG A 34 0.010 -14.142 1.731 1.00 23.23 H new ATOM 0 HE ARG A 34 -1.708 -14.046 3.468 1.00 61.04 H new ATOM 0 HH11 ARG A 34 0.514 -11.288 3.483 1.00 23.13 H new ATOM 0 HH12 ARG A 34 -0.658 -10.211 4.251 1.00 23.13 H new ATOM 0 HH21 ARG A 34 -3.197 -12.635 4.414 1.00 2.43 H new ATOM 0 HH22 ARG A 34 -2.738 -10.967 4.773 1.00 2.43 H new ATOM 574 N THR A 35 5.500 -15.564 3.471 1.00 13.04 N ATOM 575 CA THR A 35 6.687 -14.805 3.806 1.00 61.32 C ATOM 576 C THR A 35 6.828 -13.583 2.882 1.00 31.24 C ATOM 577 O THR A 35 5.985 -13.356 2.008 1.00 65.35 O ATOM 578 CB THR A 35 7.964 -15.693 3.739 1.00 51.13 C ATOM 579 OG1 THR A 35 9.107 -14.959 4.196 1.00 64.21 O ATOM 580 CG2 THR A 35 8.215 -16.189 2.321 1.00 32.24 C ATOM 0 H THR A 35 5.672 -16.370 2.870 1.00 13.04 H new ATOM 0 HA THR A 35 6.579 -14.453 4.832 1.00 61.32 H new ATOM 0 HB THR A 35 7.802 -16.555 4.387 1.00 51.13 H new ATOM 0 HG1 THR A 35 8.888 -14.500 5.034 1.00 64.21 H new ATOM 0 HG21 THR A 35 9.113 -16.806 2.305 1.00 32.24 H new ATOM 0 HG22 THR A 35 7.363 -16.780 1.986 1.00 32.24 H new ATOM 0 HG23 THR A 35 8.349 -15.336 1.656 1.00 32.24 H new ATOM 588 N LYS A 36 7.893 -12.811 3.081 1.00 12.02 N ATOM 589 CA LYS A 36 8.142 -11.603 2.298 1.00 51.44 C ATOM 590 C LYS A 36 8.250 -11.926 0.811 1.00 44.24 C ATOM 591 O LYS A 36 7.726 -11.199 -0.024 1.00 60.15 O ATOM 592 CB LYS A 36 9.420 -10.897 2.804 1.00 63.21 C ATOM 593 CG LYS A 36 9.697 -9.527 2.168 1.00 3.44 C ATOM 594 CD LYS A 36 10.457 -9.634 0.843 1.00 1.12 C ATOM 595 CE LYS A 36 11.882 -10.125 1.052 1.00 54.11 C ATOM 596 NZ LYS A 36 12.644 -10.180 -0.221 1.00 54.04 N ATOM 0 H LYS A 36 8.605 -13.003 3.786 1.00 12.02 H new ATOM 0 HA LYS A 36 7.297 -10.927 2.427 1.00 51.44 H new ATOM 0 HB2 LYS A 36 9.345 -10.771 3.884 1.00 63.21 H new ATOM 0 HB3 LYS A 36 10.275 -11.547 2.618 1.00 63.21 H new ATOM 0 HG2 LYS A 36 8.752 -9.011 1.999 1.00 3.44 H new ATOM 0 HG3 LYS A 36 10.273 -8.917 2.864 1.00 3.44 H new ATOM 0 HD2 LYS A 36 9.931 -10.316 0.175 1.00 1.12 H new ATOM 0 HD3 LYS A 36 10.475 -8.660 0.354 1.00 1.12 H new ATOM 0 HE2 LYS A 36 12.394 -9.465 1.753 1.00 54.11 H new ATOM 0 HE3 LYS A 36 11.861 -11.116 1.505 1.00 54.11 H new ATOM 0 HZ1 LYS A 36 13.574 -10.614 -0.051 1.00 54.04 H new ATOM 0 HZ2 LYS A 36 12.119 -10.748 -0.916 1.00 54.04 H new ATOM 0 HZ3 LYS A 36 12.774 -9.216 -0.589 1.00 54.04 H new ATOM 610 N GLU A 37 8.922 -13.024 0.493 1.00 14.23 N ATOM 611 CA GLU A 37 9.089 -13.446 -0.893 1.00 12.34 C ATOM 612 C GLU A 37 7.742 -13.721 -1.547 1.00 63.55 C ATOM 613 O GLU A 37 7.480 -13.274 -2.665 1.00 2.24 O ATOM 614 CB GLU A 37 9.980 -14.682 -0.965 1.00 14.10 C ATOM 615 CG GLU A 37 11.415 -14.419 -0.549 1.00 42.35 C ATOM 616 CD GLU A 37 12.133 -13.492 -1.507 1.00 3.34 C ATOM 617 OE1 GLU A 37 11.813 -12.290 -1.536 1.00 72.44 O ATOM 618 OE2 GLU A 37 13.017 -13.965 -2.247 1.00 41.44 O ATOM 0 H GLU A 37 9.361 -13.640 1.177 1.00 14.23 H new ATOM 0 HA GLU A 37 9.569 -12.635 -1.441 1.00 12.34 H new ATOM 0 HB2 GLU A 37 9.562 -15.459 -0.326 1.00 14.10 H new ATOM 0 HB3 GLU A 37 9.971 -15.068 -1.984 1.00 14.10 H new ATOM 0 HG2 GLU A 37 11.427 -13.984 0.450 1.00 42.35 H new ATOM 0 HG3 GLU A 37 11.953 -15.365 -0.491 1.00 42.35 H new ATOM 625 N GLU A 38 6.884 -14.434 -0.834 1.00 63.13 N ATOM 626 CA GLU A 38 5.559 -14.749 -1.332 1.00 44.52 C ATOM 627 C GLU A 38 4.728 -13.479 -1.474 1.00 54.42 C ATOM 628 O GLU A 38 4.016 -13.299 -2.466 1.00 42.51 O ATOM 629 CB GLU A 38 4.860 -15.736 -0.396 1.00 74.11 C ATOM 630 CG GLU A 38 5.581 -17.066 -0.260 1.00 53.42 C ATOM 631 CD GLU A 38 4.894 -18.007 0.701 1.00 14.44 C ATOM 632 OE1 GLU A 38 5.109 -17.876 1.923 1.00 32.11 O ATOM 633 OE2 GLU A 38 4.133 -18.884 0.240 1.00 23.22 O ATOM 0 H GLU A 38 7.085 -14.806 0.094 1.00 63.13 H new ATOM 0 HA GLU A 38 5.660 -15.210 -2.314 1.00 44.52 H new ATOM 0 HB2 GLU A 38 4.765 -15.282 0.590 1.00 74.11 H new ATOM 0 HB3 GLU A 38 3.849 -15.917 -0.762 1.00 74.11 H new ATOM 0 HG2 GLU A 38 5.649 -17.539 -1.239 1.00 53.42 H new ATOM 0 HG3 GLU A 38 6.601 -16.888 0.079 1.00 53.42 H new ATOM 640 N ALA A 39 4.840 -12.595 -0.487 1.00 13.51 N ATOM 641 CA ALA A 39 4.112 -11.333 -0.486 1.00 45.13 C ATOM 642 C ALA A 39 4.576 -10.429 -1.624 1.00 63.22 C ATOM 643 O ALA A 39 3.775 -9.711 -2.217 1.00 72.03 O ATOM 644 CB ALA A 39 4.272 -10.629 0.855 1.00 43.53 C ATOM 0 H ALA A 39 5.435 -12.733 0.330 1.00 13.51 H new ATOM 0 HA ALA A 39 3.056 -11.552 -0.642 1.00 45.13 H new ATOM 0 HB1 ALA A 39 3.722 -9.688 0.840 1.00 43.53 H new ATOM 0 HB2 ALA A 39 3.880 -11.265 1.649 1.00 43.53 H new ATOM 0 HB3 ALA A 39 5.328 -10.430 1.038 1.00 43.53 H new ATOM 650 N LEU A 40 5.869 -10.478 -1.925 1.00 54.00 N ATOM 651 CA LEU A 40 6.447 -9.680 -3.002 1.00 3.32 C ATOM 652 C LEU A 40 5.776 -10.036 -4.328 1.00 61.31 C ATOM 653 O LEU A 40 5.407 -9.152 -5.117 1.00 35.53 O ATOM 654 CB LEU A 40 7.976 -9.918 -3.066 1.00 71.13 C ATOM 655 CG LEU A 40 8.808 -8.975 -3.966 1.00 33.23 C ATOM 656 CD1 LEU A 40 8.676 -9.343 -5.438 1.00 74.50 C ATOM 657 CD2 LEU A 40 8.407 -7.523 -3.740 1.00 25.53 C ATOM 0 H LEU A 40 6.542 -11.067 -1.434 1.00 54.00 H new ATOM 0 HA LEU A 40 6.274 -8.621 -2.808 1.00 3.32 H new ATOM 0 HB2 LEU A 40 8.370 -9.849 -2.052 1.00 71.13 H new ATOM 0 HB3 LEU A 40 8.143 -10.940 -3.404 1.00 71.13 H new ATOM 0 HG LEU A 40 9.855 -9.095 -3.688 1.00 33.23 H new ATOM 0 HD11 LEU A 40 9.274 -8.659 -6.039 1.00 74.50 H new ATOM 0 HD12 LEU A 40 9.028 -10.363 -5.591 1.00 74.50 H new ATOM 0 HD13 LEU A 40 7.631 -9.271 -5.739 1.00 74.50 H new ATOM 0 HD21 LEU A 40 9.004 -6.876 -4.383 1.00 25.53 H new ATOM 0 HD22 LEU A 40 7.351 -7.396 -3.978 1.00 25.53 H new ATOM 0 HD23 LEU A 40 8.578 -7.256 -2.697 1.00 25.53 H new ATOM 669 N GLU A 41 5.604 -11.328 -4.559 1.00 55.51 N ATOM 670 CA GLU A 41 4.949 -11.805 -5.763 1.00 54.14 C ATOM 671 C GLU A 41 3.475 -11.424 -5.746 1.00 62.10 C ATOM 672 O GLU A 41 2.897 -11.098 -6.784 1.00 30.11 O ATOM 673 CB GLU A 41 5.097 -13.312 -5.892 1.00 40.52 C ATOM 674 CG GLU A 41 6.537 -13.782 -5.925 1.00 53.10 C ATOM 675 CD GLU A 41 6.646 -15.275 -6.082 1.00 54.40 C ATOM 676 OE1 GLU A 41 6.236 -16.005 -5.154 1.00 21.05 O ATOM 677 OE2 GLU A 41 7.153 -15.735 -7.126 1.00 22.23 O ATOM 0 H GLU A 41 5.911 -12.066 -3.925 1.00 55.51 H new ATOM 0 HA GLU A 41 5.426 -11.335 -6.623 1.00 54.14 H new ATOM 0 HB2 GLU A 41 4.587 -13.791 -5.056 1.00 40.52 H new ATOM 0 HB3 GLU A 41 4.596 -13.641 -6.802 1.00 40.52 H new ATOM 0 HG2 GLU A 41 7.058 -13.293 -6.748 1.00 53.10 H new ATOM 0 HG3 GLU A 41 7.038 -13.478 -5.006 1.00 53.10 H new ATOM 684 N LEU A 42 2.869 -11.465 -4.563 1.00 20.33 N ATOM 685 CA LEU A 42 1.470 -11.083 -4.407 1.00 74.52 C ATOM 686 C LEU A 42 1.284 -9.623 -4.782 1.00 33.24 C ATOM 687 O LEU A 42 0.321 -9.272 -5.450 1.00 53.40 O ATOM 688 CB LEU A 42 0.984 -11.330 -2.974 1.00 52.14 C ATOM 689 CG LEU A 42 0.961 -12.791 -2.514 1.00 13.32 C ATOM 690 CD1 LEU A 42 0.483 -12.891 -1.075 1.00 2.20 C ATOM 691 CD2 LEU A 42 0.073 -13.629 -3.427 1.00 75.02 C ATOM 0 H LEU A 42 3.325 -11.759 -3.699 1.00 20.33 H new ATOM 0 HA LEU A 42 0.872 -11.702 -5.075 1.00 74.52 H new ATOM 0 HB2 LEU A 42 1.621 -10.766 -2.293 1.00 52.14 H new ATOM 0 HB3 LEU A 42 -0.023 -10.924 -2.878 1.00 52.14 H new ATOM 0 HG LEU A 42 1.977 -13.181 -2.569 1.00 13.32 H new ATOM 0 HD11 LEU A 42 0.474 -13.936 -0.767 1.00 2.20 H new ATOM 0 HD12 LEU A 42 1.156 -12.328 -0.428 1.00 2.20 H new ATOM 0 HD13 LEU A 42 -0.524 -12.480 -0.997 1.00 2.20 H new ATOM 0 HD21 LEU A 42 0.071 -14.663 -3.083 1.00 75.02 H new ATOM 0 HD22 LEU A 42 -0.944 -13.237 -3.405 1.00 75.02 H new ATOM 0 HD23 LEU A 42 0.457 -13.587 -4.446 1.00 75.02 H new ATOM 703 N ILE A 43 2.223 -8.779 -4.350 1.00 42.42 N ATOM 704 CA ILE A 43 2.206 -7.354 -4.680 1.00 63.13 C ATOM 705 C ILE A 43 2.141 -7.165 -6.186 1.00 74.02 C ATOM 706 O ILE A 43 1.245 -6.495 -6.701 1.00 22.02 O ATOM 707 CB ILE A 43 3.466 -6.632 -4.126 1.00 11.43 C ATOM 708 CG1 ILE A 43 3.439 -6.600 -2.598 1.00 24.12 C ATOM 709 CG2 ILE A 43 3.588 -5.218 -4.691 1.00 40.23 C ATOM 710 CD1 ILE A 43 2.262 -5.841 -2.020 1.00 1.43 C ATOM 0 H ILE A 43 3.010 -9.062 -3.766 1.00 42.42 H new ATOM 0 HA ILE A 43 1.322 -6.917 -4.216 1.00 63.13 H new ATOM 0 HB ILE A 43 4.342 -7.196 -4.446 1.00 11.43 H new ATOM 0 HG12 ILE A 43 3.418 -7.623 -2.223 1.00 24.12 H new ATOM 0 HG13 ILE A 43 4.363 -6.147 -2.238 1.00 24.12 H new ATOM 0 HG21 ILE A 43 4.479 -4.739 -4.285 1.00 40.23 H new ATOM 0 HG22 ILE A 43 3.665 -5.266 -5.777 1.00 40.23 H new ATOM 0 HG23 ILE A 43 2.707 -4.639 -4.415 1.00 40.23 H new ATOM 0 HD11 ILE A 43 2.314 -5.864 -0.931 1.00 1.43 H new ATOM 0 HD12 ILE A 43 2.292 -4.807 -2.363 1.00 1.43 H new ATOM 0 HD13 ILE A 43 1.332 -6.306 -2.349 1.00 1.43 H new ATOM 722 N ASN A 44 3.085 -7.781 -6.886 1.00 15.21 N ATOM 723 CA ASN A 44 3.132 -7.708 -8.341 1.00 34.51 C ATOM 724 C ASN A 44 1.864 -8.291 -8.941 1.00 15.41 C ATOM 725 O ASN A 44 1.330 -7.769 -9.919 1.00 65.33 O ATOM 726 CB ASN A 44 4.368 -8.435 -8.881 1.00 71.31 C ATOM 727 CG ASN A 44 5.649 -7.643 -8.677 1.00 62.41 C ATOM 728 OD1 ASN A 44 6.048 -6.861 -9.539 1.00 64.42 O ATOM 729 ND2 ASN A 44 6.302 -7.839 -7.543 1.00 51.23 N ATOM 0 H ASN A 44 3.830 -8.338 -6.468 1.00 15.21 H new ATOM 0 HA ASN A 44 3.202 -6.659 -8.631 1.00 34.51 H new ATOM 0 HB2 ASN A 44 4.461 -9.402 -8.387 1.00 71.31 H new ATOM 0 HB3 ASN A 44 4.233 -8.632 -9.944 1.00 71.31 H new ATOM 0 HD21 ASN A 44 7.168 -7.333 -7.359 1.00 51.23 H new ATOM 0 HD22 ASN A 44 5.939 -8.496 -6.852 1.00 51.23 H new ATOM 736 N GLY A 45 1.376 -9.367 -8.332 1.00 23.24 N ATOM 737 CA GLY A 45 0.150 -9.989 -8.779 1.00 64.44 C ATOM 738 C GLY A 45 -1.029 -9.040 -8.693 1.00 63.31 C ATOM 739 O GLY A 45 -1.808 -8.920 -9.641 1.00 1.41 O ATOM 0 H GLY A 45 1.815 -9.820 -7.530 1.00 23.24 H new ATOM 0 HA2 GLY A 45 0.269 -10.328 -9.808 1.00 64.44 H new ATOM 0 HA3 GLY A 45 -0.050 -10.873 -8.174 1.00 64.44 H new ATOM 743 N TYR A 46 -1.158 -8.358 -7.557 1.00 51.34 N ATOM 744 CA TYR A 46 -2.230 -7.389 -7.365 1.00 72.41 C ATOM 745 C TYR A 46 -2.105 -6.269 -8.390 1.00 32.42 C ATOM 746 O TYR A 46 -3.063 -5.948 -9.088 1.00 70.13 O ATOM 747 CB TYR A 46 -2.199 -6.793 -5.946 1.00 21.34 C ATOM 748 CG TYR A 46 -2.351 -7.806 -4.820 1.00 53.30 C ATOM 749 CD1 TYR A 46 -3.224 -8.884 -4.931 1.00 32.12 C ATOM 750 CD2 TYR A 46 -1.616 -7.677 -3.646 1.00 3.51 C ATOM 751 CE1 TYR A 46 -3.357 -9.801 -3.902 1.00 31.45 C ATOM 752 CE2 TYR A 46 -1.746 -8.590 -2.618 1.00 52.31 C ATOM 753 CZ TYR A 46 -2.615 -9.649 -2.750 1.00 31.04 C ATOM 754 OH TYR A 46 -2.745 -10.562 -1.724 1.00 0.52 O ATOM 0 H TYR A 46 -0.533 -8.460 -6.757 1.00 51.34 H new ATOM 0 HA TYR A 46 -3.179 -7.908 -7.498 1.00 72.41 H new ATOM 0 HB2 TYR A 46 -1.257 -6.262 -5.812 1.00 21.34 H new ATOM 0 HB3 TYR A 46 -2.996 -6.055 -5.861 1.00 21.34 H new ATOM 0 HD1 TYR A 46 -3.806 -9.007 -5.832 1.00 32.12 H new ATOM 0 HD2 TYR A 46 -0.932 -6.849 -3.537 1.00 3.51 H new ATOM 0 HE1 TYR A 46 -4.039 -10.632 -4.001 1.00 31.45 H new ATOM 0 HE2 TYR A 46 -1.168 -8.473 -1.713 1.00 52.31 H new ATOM 0 HH TYR A 46 -2.152 -10.311 -0.985 1.00 0.52 H new ATOM 764 N ILE A 47 -0.903 -5.704 -8.488 1.00 5.04 N ATOM 765 CA ILE A 47 -0.626 -4.615 -9.421 1.00 4.22 C ATOM 766 C ILE A 47 -0.957 -5.022 -10.860 1.00 4.13 C ATOM 767 O ILE A 47 -1.648 -4.296 -11.578 1.00 52.31 O ATOM 768 CB ILE A 47 0.854 -4.161 -9.338 1.00 32.11 C ATOM 769 CG1 ILE A 47 1.159 -3.590 -7.947 1.00 24.21 C ATOM 770 CG2 ILE A 47 1.169 -3.135 -10.418 1.00 35.23 C ATOM 771 CD1 ILE A 47 2.602 -3.171 -7.758 1.00 40.31 C ATOM 0 H ILE A 47 -0.099 -5.986 -7.927 1.00 5.04 H new ATOM 0 HA ILE A 47 -1.264 -3.779 -9.134 1.00 4.22 H new ATOM 0 HB ILE A 47 1.489 -5.032 -9.504 1.00 32.11 H new ATOM 0 HG12 ILE A 47 0.515 -2.729 -7.769 1.00 24.21 H new ATOM 0 HG13 ILE A 47 0.907 -4.338 -7.195 1.00 24.21 H new ATOM 0 HG21 ILE A 47 2.213 -2.832 -10.339 1.00 35.23 H new ATOM 0 HG22 ILE A 47 0.992 -3.574 -11.400 1.00 35.23 H new ATOM 0 HG23 ILE A 47 0.528 -2.263 -10.290 1.00 35.23 H new ATOM 0 HD11 ILE A 47 2.738 -2.778 -6.750 1.00 40.31 H new ATOM 0 HD12 ILE A 47 3.253 -4.033 -7.902 1.00 40.31 H new ATOM 0 HD13 ILE A 47 2.855 -2.400 -8.485 1.00 40.31 H new ATOM 783 N GLN A 48 -0.472 -6.185 -11.266 1.00 60.33 N ATOM 784 CA GLN A 48 -0.728 -6.693 -12.609 1.00 34.53 C ATOM 785 C GLN A 48 -2.217 -6.887 -12.851 1.00 53.23 C ATOM 786 O GLN A 48 -2.716 -6.569 -13.923 1.00 1.10 O ATOM 787 CB GLN A 48 0.025 -8.006 -12.851 1.00 55.32 C ATOM 788 CG GLN A 48 1.270 -7.859 -13.722 1.00 51.25 C ATOM 789 CD GLN A 48 2.222 -6.782 -13.235 1.00 52.51 C ATOM 790 OE1 GLN A 48 3.086 -7.034 -12.400 1.00 70.13 O ATOM 791 NE2 GLN A 48 2.092 -5.581 -13.780 1.00 43.12 N ATOM 0 H GLN A 48 0.102 -6.797 -10.686 1.00 60.33 H new ATOM 0 HA GLN A 48 -0.362 -5.948 -13.316 1.00 34.53 H new ATOM 0 HB2 GLN A 48 0.315 -8.428 -11.889 1.00 55.32 H new ATOM 0 HB3 GLN A 48 -0.652 -8.719 -13.321 1.00 55.32 H new ATOM 0 HG2 GLN A 48 1.797 -8.813 -13.753 1.00 51.25 H new ATOM 0 HG3 GLN A 48 0.965 -7.630 -14.743 1.00 51.25 H new ATOM 0 HE21 GLN A 48 1.361 -5.411 -14.471 1.00 43.12 H new ATOM 0 HE22 GLN A 48 2.723 -4.827 -13.509 1.00 43.12 H new ATOM 800 N LYS A 49 -2.930 -7.377 -11.839 1.00 61.41 N ATOM 801 CA LYS A 49 -4.362 -7.621 -11.966 1.00 13.21 C ATOM 802 C LYS A 49 -5.122 -6.308 -12.114 1.00 44.15 C ATOM 803 O LYS A 49 -6.117 -6.228 -12.848 1.00 63.34 O ATOM 804 CB LYS A 49 -4.887 -8.413 -10.770 1.00 63.00 C ATOM 805 CG LYS A 49 -6.267 -8.994 -10.995 1.00 21.24 C ATOM 806 CD LYS A 49 -6.658 -9.960 -9.894 1.00 64.31 C ATOM 807 CE LYS A 49 -7.873 -10.779 -10.296 1.00 24.41 C ATOM 808 NZ LYS A 49 -7.602 -11.617 -11.496 1.00 3.44 N ATOM 0 H LYS A 49 -2.540 -7.612 -10.926 1.00 61.41 H new ATOM 0 HA LYS A 49 -4.525 -8.215 -12.866 1.00 13.21 H new ATOM 0 HB2 LYS A 49 -4.192 -9.222 -10.546 1.00 63.00 H new ATOM 0 HB3 LYS A 49 -4.912 -7.763 -9.895 1.00 63.00 H new ATOM 0 HG2 LYS A 49 -6.997 -8.186 -11.046 1.00 21.24 H new ATOM 0 HG3 LYS A 49 -6.293 -9.508 -11.956 1.00 21.24 H new ATOM 0 HD2 LYS A 49 -5.823 -10.625 -9.675 1.00 64.31 H new ATOM 0 HD3 LYS A 49 -6.874 -9.407 -8.980 1.00 64.31 H new ATOM 0 HE2 LYS A 49 -8.171 -11.419 -9.465 1.00 24.41 H new ATOM 0 HE3 LYS A 49 -8.710 -10.111 -10.500 1.00 24.41 H new ATOM 0 HZ1 LYS A 49 -8.464 -12.135 -11.760 1.00 3.44 H new ATOM 0 HZ2 LYS A 49 -7.309 -11.007 -12.286 1.00 3.44 H new ATOM 0 HZ3 LYS A 49 -6.843 -12.295 -11.282 1.00 3.44 H new ATOM 822 N ILE A 50 -4.652 -5.283 -11.420 1.00 43.34 N ATOM 823 CA ILE A 50 -5.240 -3.956 -11.520 1.00 21.23 C ATOM 824 C ILE A 50 -5.032 -3.411 -12.927 1.00 54.50 C ATOM 825 O ILE A 50 -5.966 -2.930 -13.568 1.00 33.12 O ATOM 826 CB ILE A 50 -4.614 -2.983 -10.487 1.00 25.30 C ATOM 827 CG1 ILE A 50 -4.875 -3.479 -9.063 1.00 52.50 C ATOM 828 CG2 ILE A 50 -5.163 -1.573 -10.671 1.00 22.14 C ATOM 829 CD1 ILE A 50 -4.167 -2.673 -7.995 1.00 71.44 C ATOM 0 H ILE A 50 -3.861 -5.345 -10.779 1.00 43.34 H new ATOM 0 HA ILE A 50 -6.306 -4.038 -11.307 1.00 21.23 H new ATOM 0 HB ILE A 50 -3.537 -2.953 -10.653 1.00 25.30 H new ATOM 0 HG12 ILE A 50 -5.948 -3.456 -8.871 1.00 52.50 H new ATOM 0 HG13 ILE A 50 -4.560 -4.520 -8.988 1.00 52.50 H new ATOM 0 HG21 ILE A 50 -4.710 -0.907 -9.936 1.00 22.14 H new ATOM 0 HG22 ILE A 50 -4.928 -1.219 -11.675 1.00 22.14 H new ATOM 0 HG23 ILE A 50 -6.244 -1.583 -10.534 1.00 22.14 H new ATOM 0 HD11 ILE A 50 -4.401 -3.085 -7.013 1.00 71.44 H new ATOM 0 HD12 ILE A 50 -3.090 -2.717 -8.160 1.00 71.44 H new ATOM 0 HD13 ILE A 50 -4.499 -1.636 -8.042 1.00 71.44 H new ATOM 841 N LYS A 51 -3.801 -3.535 -13.418 1.00 72.23 N ATOM 842 CA LYS A 51 -3.451 -3.066 -14.754 1.00 35.32 C ATOM 843 C LYS A 51 -4.121 -3.913 -15.841 1.00 63.30 C ATOM 844 O LYS A 51 -4.175 -3.517 -17.006 1.00 41.11 O ATOM 845 CB LYS A 51 -1.929 -3.059 -14.941 1.00 42.43 C ATOM 846 CG LYS A 51 -1.203 -2.108 -14.000 1.00 25.42 C ATOM 847 CD LYS A 51 0.292 -2.078 -14.276 1.00 13.20 C ATOM 848 CE LYS A 51 1.007 -1.102 -13.350 1.00 35.35 C ATOM 849 NZ LYS A 51 2.471 -1.060 -13.599 1.00 22.21 N ATOM 0 H LYS A 51 -3.027 -3.959 -12.907 1.00 72.23 H new ATOM 0 HA LYS A 51 -3.821 -2.046 -14.853 1.00 35.32 H new ATOM 0 HB2 LYS A 51 -1.548 -4.069 -14.788 1.00 42.43 H new ATOM 0 HB3 LYS A 51 -1.699 -2.784 -15.970 1.00 42.43 H new ATOM 0 HG2 LYS A 51 -1.614 -1.104 -14.109 1.00 25.42 H new ATOM 0 HG3 LYS A 51 -1.377 -2.413 -12.968 1.00 25.42 H new ATOM 0 HD2 LYS A 51 0.708 -3.077 -14.146 1.00 13.20 H new ATOM 0 HD3 LYS A 51 0.467 -1.793 -15.313 1.00 13.20 H new ATOM 0 HE2 LYS A 51 0.589 -0.104 -13.484 1.00 35.35 H new ATOM 0 HE3 LYS A 51 0.825 -1.387 -12.314 1.00 35.35 H new ATOM 0 HZ1 LYS A 51 2.915 -0.383 -12.946 1.00 22.21 H new ATOM 0 HZ2 LYS A 51 2.876 -2.005 -13.446 1.00 22.21 H new ATOM 0 HZ3 LYS A 51 2.648 -0.762 -14.580 1.00 22.21 H new ATOM 863 N SER A 52 -4.631 -5.075 -15.458 1.00 31.35 N ATOM 864 CA SER A 52 -5.335 -5.937 -16.393 1.00 72.05 C ATOM 865 C SER A 52 -6.767 -5.449 -16.592 1.00 10.52 C ATOM 866 O SER A 52 -7.469 -5.899 -17.497 1.00 43.00 O ATOM 867 CB SER A 52 -5.347 -7.386 -15.896 1.00 33.01 C ATOM 868 OG SER A 52 -4.033 -7.895 -15.748 1.00 24.22 O ATOM 0 H SER A 52 -4.570 -5.441 -14.508 1.00 31.35 H new ATOM 0 HA SER A 52 -4.809 -5.899 -17.347 1.00 72.05 H new ATOM 0 HB2 SER A 52 -5.869 -7.440 -14.941 1.00 33.01 H new ATOM 0 HB3 SER A 52 -5.902 -8.008 -16.598 1.00 33.01 H new ATOM 0 HG SER A 52 -3.696 -7.675 -14.854 1.00 24.22 H new ATOM 874 N GLY A 53 -7.195 -4.525 -15.740 1.00 65.21 N ATOM 875 CA GLY A 53 -8.540 -4.004 -15.828 1.00 14.35 C ATOM 876 C GLY A 53 -9.552 -4.944 -15.218 1.00 62.21 C ATOM 877 O GLY A 53 -10.750 -4.854 -15.496 1.00 33.53 O ATOM 0 H GLY A 53 -6.630 -4.128 -14.989 1.00 65.21 H new ATOM 0 HA2 GLY A 53 -8.589 -3.040 -15.321 1.00 14.35 H new ATOM 0 HA3 GLY A 53 -8.793 -3.828 -16.874 1.00 14.35 H new ATOM 881 N GLU A 54 -9.071 -5.861 -14.392 1.00 71.13 N ATOM 882 CA GLU A 54 -9.941 -6.813 -13.734 1.00 13.52 C ATOM 883 C GLU A 54 -10.431 -6.238 -12.419 1.00 12.14 C ATOM 884 O GLU A 54 -11.609 -5.914 -12.266 1.00 22.34 O ATOM 885 CB GLU A 54 -9.210 -8.134 -13.483 1.00 21.51 C ATOM 886 CG GLU A 54 -8.680 -8.807 -14.738 1.00 74.51 C ATOM 887 CD GLU A 54 -8.075 -10.162 -14.446 1.00 1.14 C ATOM 888 OE1 GLU A 54 -7.035 -10.218 -13.767 1.00 4.42 O ATOM 889 OE2 GLU A 54 -8.648 -11.182 -14.879 1.00 13.44 O ATOM 0 H GLU A 54 -8.082 -5.963 -14.164 1.00 71.13 H new ATOM 0 HA GLU A 54 -10.793 -7.009 -14.385 1.00 13.52 H new ATOM 0 HB2 GLU A 54 -8.377 -7.951 -12.804 1.00 21.51 H new ATOM 0 HB3 GLU A 54 -9.889 -8.820 -12.977 1.00 21.51 H new ATOM 0 HG2 GLU A 54 -9.491 -8.920 -15.458 1.00 74.51 H new ATOM 0 HG3 GLU A 54 -7.929 -8.168 -15.202 1.00 74.51 H new ATOM 896 N GLU A 55 -9.519 -6.094 -11.483 1.00 73.11 N ATOM 897 CA GLU A 55 -9.838 -5.551 -10.183 1.00 41.41 C ATOM 898 C GLU A 55 -9.255 -4.162 -10.048 1.00 61.22 C ATOM 899 O GLU A 55 -8.213 -3.865 -10.624 1.00 32.24 O ATOM 900 CB GLU A 55 -9.288 -6.449 -9.072 1.00 72.12 C ATOM 901 CG GLU A 55 -9.926 -7.825 -9.005 1.00 44.54 C ATOM 902 CD GLU A 55 -11.415 -7.760 -8.764 1.00 70.31 C ATOM 903 OE1 GLU A 55 -11.837 -7.153 -7.758 1.00 42.02 O ATOM 904 OE2 GLU A 55 -12.178 -8.323 -9.579 1.00 61.42 O ATOM 0 H GLU A 55 -8.539 -6.349 -11.602 1.00 73.11 H new ATOM 0 HA GLU A 55 -10.923 -5.501 -10.088 1.00 41.41 H new ATOM 0 HB2 GLU A 55 -8.214 -6.566 -9.215 1.00 72.12 H new ATOM 0 HB3 GLU A 55 -9.430 -5.949 -8.114 1.00 72.12 H new ATOM 0 HG2 GLU A 55 -9.735 -8.356 -9.937 1.00 44.54 H new ATOM 0 HG3 GLU A 55 -9.457 -8.401 -8.208 1.00 44.54 H new ATOM 911 N ASP A 56 -9.931 -3.313 -9.314 1.00 2.25 N ATOM 912 CA ASP A 56 -9.438 -1.969 -9.075 1.00 30.22 C ATOM 913 C ASP A 56 -8.661 -1.949 -7.785 1.00 43.30 C ATOM 914 O ASP A 56 -8.866 -2.806 -6.925 1.00 3.14 O ATOM 915 CB ASP A 56 -10.588 -0.963 -9.006 1.00 43.02 C ATOM 916 CG ASP A 56 -11.390 -0.905 -10.283 1.00 53.23 C ATOM 917 OD1 ASP A 56 -10.956 -0.230 -11.236 1.00 50.21 O ATOM 918 OD2 ASP A 56 -12.467 -1.532 -10.341 1.00 43.45 O ATOM 0 H ASP A 56 -10.825 -3.524 -8.870 1.00 2.25 H new ATOM 0 HA ASP A 56 -8.791 -1.682 -9.904 1.00 30.22 H new ATOM 0 HB2 ASP A 56 -11.248 -1.228 -8.180 1.00 43.02 H new ATOM 0 HB3 ASP A 56 -10.187 0.027 -8.789 1.00 43.02 H new ATOM 923 N PHE A 57 -7.778 -0.973 -7.637 1.00 61.10 N ATOM 924 CA PHE A 57 -6.956 -0.849 -6.435 1.00 12.43 C ATOM 925 C PHE A 57 -7.827 -0.823 -5.183 1.00 64.15 C ATOM 926 O PHE A 57 -7.468 -1.388 -4.148 1.00 40.32 O ATOM 927 CB PHE A 57 -6.098 0.419 -6.508 1.00 13.51 C ATOM 928 CG PHE A 57 -5.134 0.564 -5.365 1.00 51.11 C ATOM 929 CD1 PHE A 57 -3.917 -0.094 -5.383 1.00 55.45 C ATOM 930 CD2 PHE A 57 -5.442 1.362 -4.275 1.00 62.01 C ATOM 931 CE1 PHE A 57 -3.027 0.037 -4.339 1.00 14.05 C ATOM 932 CE2 PHE A 57 -4.556 1.494 -3.228 1.00 12.55 C ATOM 933 CZ PHE A 57 -3.347 0.832 -3.260 1.00 53.20 C ATOM 0 H PHE A 57 -7.609 -0.250 -8.336 1.00 61.10 H new ATOM 0 HA PHE A 57 -6.300 -1.718 -6.379 1.00 12.43 H new ATOM 0 HB2 PHE A 57 -5.540 0.415 -7.444 1.00 13.51 H new ATOM 0 HB3 PHE A 57 -6.754 1.290 -6.531 1.00 13.51 H new ATOM 0 HD1 PHE A 57 -3.661 -0.718 -6.226 1.00 55.45 H new ATOM 0 HD2 PHE A 57 -6.386 1.886 -4.246 1.00 62.01 H new ATOM 0 HE1 PHE A 57 -2.081 -0.482 -4.366 1.00 14.05 H new ATOM 0 HE2 PHE A 57 -4.809 2.116 -2.382 1.00 12.55 H new ATOM 0 HZ PHE A 57 -2.652 0.936 -2.440 1.00 53.20 H new ATOM 943 N GLU A 58 -8.986 -0.190 -5.301 1.00 15.51 N ATOM 944 CA GLU A 58 -9.931 -0.084 -4.201 1.00 14.11 C ATOM 945 C GLU A 58 -10.396 -1.464 -3.741 1.00 52.15 C ATOM 946 O GLU A 58 -10.615 -1.689 -2.558 1.00 64.25 O ATOM 947 CB GLU A 58 -11.138 0.741 -4.626 1.00 72.54 C ATOM 948 CG GLU A 58 -10.786 2.098 -5.201 1.00 14.42 C ATOM 949 CD GLU A 58 -12.009 2.868 -5.624 1.00 3.24 C ATOM 950 OE1 GLU A 58 -12.529 2.610 -6.727 1.00 14.22 O ATOM 951 OE2 GLU A 58 -12.473 3.720 -4.847 1.00 14.53 O ATOM 0 H GLU A 58 -9.296 0.263 -6.161 1.00 15.51 H new ATOM 0 HA GLU A 58 -9.425 0.408 -3.370 1.00 14.11 H new ATOM 0 HB2 GLU A 58 -11.706 0.180 -5.368 1.00 72.54 H new ATOM 0 HB3 GLU A 58 -11.791 0.881 -3.764 1.00 72.54 H new ATOM 0 HG2 GLU A 58 -10.234 2.674 -4.458 1.00 14.42 H new ATOM 0 HG3 GLU A 58 -10.125 1.968 -6.058 1.00 14.42 H new ATOM 958 N SER A 59 -10.523 -2.387 -4.686 1.00 73.15 N ATOM 959 CA SER A 59 -10.971 -3.736 -4.387 1.00 1.43 C ATOM 960 C SER A 59 -9.905 -4.473 -3.591 1.00 14.22 C ATOM 961 O SER A 59 -10.197 -5.129 -2.585 1.00 25.43 O ATOM 962 CB SER A 59 -11.293 -4.485 -5.693 1.00 52.05 C ATOM 963 OG SER A 59 -11.809 -5.782 -5.443 1.00 45.03 O ATOM 0 H SER A 59 -10.320 -2.221 -5.672 1.00 73.15 H new ATOM 0 HA SER A 59 -11.878 -3.688 -3.785 1.00 1.43 H new ATOM 0 HB2 SER A 59 -12.017 -3.911 -6.272 1.00 52.05 H new ATOM 0 HB3 SER A 59 -10.390 -4.564 -6.299 1.00 52.05 H new ATOM 0 HG SER A 59 -12.081 -6.195 -6.289 1.00 45.03 H new ATOM 969 N LEU A 60 -8.662 -4.337 -4.030 1.00 54.24 N ATOM 970 CA LEU A 60 -7.543 -4.976 -3.363 1.00 52.14 C ATOM 971 C LEU A 60 -7.346 -4.391 -1.972 1.00 61.53 C ATOM 972 O LEU A 60 -7.195 -5.122 -1.000 1.00 61.21 O ATOM 973 CB LEU A 60 -6.244 -4.827 -4.180 1.00 25.33 C ATOM 974 CG LEU A 60 -6.109 -5.696 -5.449 1.00 2.43 C ATOM 975 CD1 LEU A 60 -6.284 -7.168 -5.125 1.00 2.25 C ATOM 976 CD2 LEU A 60 -7.087 -5.266 -6.524 1.00 10.01 C ATOM 0 H LEU A 60 -8.405 -3.787 -4.849 1.00 54.24 H new ATOM 0 HA LEU A 60 -7.774 -6.038 -3.276 1.00 52.14 H new ATOM 0 HB2 LEU A 60 -6.147 -3.782 -4.474 1.00 25.33 H new ATOM 0 HB3 LEU A 60 -5.404 -5.053 -3.524 1.00 25.33 H new ATOM 0 HG LEU A 60 -5.101 -5.549 -5.837 1.00 2.43 H new ATOM 0 HD11 LEU A 60 -6.184 -7.756 -6.037 1.00 2.25 H new ATOM 0 HD12 LEU A 60 -5.522 -7.476 -4.409 1.00 2.25 H new ATOM 0 HD13 LEU A 60 -7.272 -7.331 -4.695 1.00 2.25 H new ATOM 0 HD21 LEU A 60 -6.964 -5.899 -7.402 1.00 10.01 H new ATOM 0 HD22 LEU A 60 -8.106 -5.361 -6.148 1.00 10.01 H new ATOM 0 HD23 LEU A 60 -6.896 -4.228 -6.796 1.00 10.01 H new ATOM 988 N ALA A 61 -7.385 -3.077 -1.883 1.00 40.13 N ATOM 989 CA ALA A 61 -7.148 -2.382 -0.625 1.00 3.12 C ATOM 990 C ALA A 61 -8.285 -2.574 0.386 1.00 10.43 C ATOM 991 O ALA A 61 -8.100 -2.349 1.575 1.00 43.31 O ATOM 992 CB ALA A 61 -6.902 -0.906 -0.880 1.00 1.53 C ATOM 0 H ALA A 61 -7.580 -2.461 -2.672 1.00 40.13 H new ATOM 0 HA ALA A 61 -6.258 -2.826 -0.178 1.00 3.12 H new ATOM 0 HB1 ALA A 61 -6.726 -0.397 0.068 1.00 1.53 H new ATOM 0 HB2 ALA A 61 -6.029 -0.788 -1.522 1.00 1.53 H new ATOM 0 HB3 ALA A 61 -7.774 -0.471 -1.369 1.00 1.53 H new ATOM 998 N SER A 62 -9.447 -2.997 -0.082 1.00 62.30 N ATOM 999 CA SER A 62 -10.588 -3.174 0.810 1.00 64.02 C ATOM 1000 C SER A 62 -10.787 -4.631 1.233 1.00 41.51 C ATOM 1001 O SER A 62 -11.382 -4.900 2.276 1.00 24.15 O ATOM 1002 CB SER A 62 -11.863 -2.651 0.156 1.00 10.32 C ATOM 1003 OG SER A 62 -11.749 -1.274 -0.170 1.00 44.53 O ATOM 0 H SER A 62 -9.628 -3.222 -1.060 1.00 62.30 H new ATOM 0 HA SER A 62 -10.371 -2.599 1.710 1.00 64.02 H new ATOM 0 HB2 SER A 62 -12.072 -3.224 -0.747 1.00 10.32 H new ATOM 0 HB3 SER A 62 -12.707 -2.799 0.830 1.00 10.32 H new ATOM 0 HG SER A 62 -11.470 -1.181 -1.105 1.00 44.53 H new ATOM 1009 N GLN A 63 -10.301 -5.571 0.432 1.00 33.34 N ATOM 1010 CA GLN A 63 -10.525 -6.986 0.733 1.00 12.44 C ATOM 1011 C GLN A 63 -9.229 -7.776 0.902 1.00 3.23 C ATOM 1012 O GLN A 63 -9.197 -8.769 1.624 1.00 60.13 O ATOM 1013 CB GLN A 63 -11.377 -7.629 -0.360 1.00 61.45 C ATOM 1014 CG GLN A 63 -12.757 -7.011 -0.511 1.00 53.12 C ATOM 1015 CD GLN A 63 -13.589 -7.683 -1.586 1.00 11.42 C ATOM 1016 OE1 GLN A 63 -14.814 -7.737 -1.491 1.00 71.13 O ATOM 1017 NE2 GLN A 63 -12.935 -8.191 -2.619 1.00 5.03 N ATOM 0 H GLN A 63 -9.760 -5.390 -0.414 1.00 33.34 H new ATOM 0 HA GLN A 63 -11.048 -7.020 1.688 1.00 12.44 H new ATOM 0 HB2 GLN A 63 -10.849 -7.551 -1.311 1.00 61.45 H new ATOM 0 HB3 GLN A 63 -11.488 -8.691 -0.143 1.00 61.45 H new ATOM 0 HG2 GLN A 63 -13.284 -7.073 0.441 1.00 53.12 H new ATOM 0 HG3 GLN A 63 -12.652 -5.952 -0.749 1.00 53.12 H new ATOM 0 HE21 GLN A 63 -11.918 -8.126 -2.661 1.00 5.03 H new ATOM 0 HE22 GLN A 63 -13.448 -8.647 -3.373 1.00 5.03 H new ATOM 1026 N PHE A 64 -8.172 -7.346 0.243 1.00 44.20 N ATOM 1027 CA PHE A 64 -6.913 -8.084 0.273 1.00 74.44 C ATOM 1028 C PHE A 64 -5.868 -7.400 1.145 1.00 11.33 C ATOM 1029 O PHE A 64 -4.719 -7.842 1.208 1.00 42.11 O ATOM 1030 CB PHE A 64 -6.371 -8.279 -1.148 1.00 45.54 C ATOM 1031 CG PHE A 64 -7.222 -9.177 -2.010 1.00 65.34 C ATOM 1032 CD1 PHE A 64 -8.371 -8.696 -2.620 1.00 24.43 C ATOM 1033 CD2 PHE A 64 -6.870 -10.502 -2.207 1.00 30.23 C ATOM 1034 CE1 PHE A 64 -9.150 -9.519 -3.411 1.00 24.25 C ATOM 1035 CE2 PHE A 64 -7.644 -11.329 -2.997 1.00 44.22 C ATOM 1036 CZ PHE A 64 -8.786 -10.837 -3.600 1.00 1.44 C ATOM 0 H PHE A 64 -8.153 -6.495 -0.319 1.00 44.20 H new ATOM 0 HA PHE A 64 -7.121 -9.059 0.714 1.00 74.44 H new ATOM 0 HB2 PHE A 64 -6.285 -7.305 -1.630 1.00 45.54 H new ATOM 0 HB3 PHE A 64 -5.366 -8.696 -1.089 1.00 45.54 H new ATOM 0 HD1 PHE A 64 -8.660 -7.666 -2.475 1.00 24.43 H new ATOM 0 HD2 PHE A 64 -5.980 -10.893 -1.737 1.00 30.23 H new ATOM 0 HE1 PHE A 64 -10.042 -9.132 -3.881 1.00 24.25 H new ATOM 0 HE2 PHE A 64 -7.357 -12.360 -3.144 1.00 44.22 H new ATOM 0 HZ PHE A 64 -9.393 -11.483 -4.218 1.00 1.44 H new ATOM 1046 N SER A 65 -6.254 -6.335 1.818 1.00 33.25 N ATOM 1047 CA SER A 65 -5.332 -5.637 2.685 1.00 13.10 C ATOM 1048 C SER A 65 -5.414 -6.202 4.089 1.00 24.35 C ATOM 1049 O SER A 65 -6.496 -6.524 4.572 1.00 53.11 O ATOM 1050 CB SER A 65 -5.622 -4.134 2.709 1.00 71.45 C ATOM 1051 OG SER A 65 -4.542 -3.418 3.302 1.00 22.22 O ATOM 0 H SER A 65 -7.193 -5.938 1.781 1.00 33.25 H new ATOM 0 HA SER A 65 -4.325 -5.781 2.294 1.00 13.10 H new ATOM 0 HB2 SER A 65 -5.788 -3.775 1.693 1.00 71.45 H new ATOM 0 HB3 SER A 65 -6.539 -3.945 3.267 1.00 71.45 H new ATOM 0 HG SER A 65 -3.761 -4.005 3.375 1.00 22.22 H new ATOM 1057 N ASP A 66 -4.273 -6.324 4.737 1.00 62.35 N ATOM 1058 CA ASP A 66 -4.213 -6.850 6.092 1.00 22.42 C ATOM 1059 C ASP A 66 -4.374 -5.730 7.107 1.00 22.40 C ATOM 1060 O ASP A 66 -4.383 -5.961 8.314 1.00 32.23 O ATOM 1061 CB ASP A 66 -2.887 -7.574 6.331 1.00 2.01 C ATOM 1062 CG ASP A 66 -2.715 -8.803 5.463 1.00 14.10 C ATOM 1063 OD1 ASP A 66 -3.633 -9.645 5.424 1.00 43.31 O ATOM 1064 OD2 ASP A 66 -1.653 -8.937 4.823 1.00 64.42 O ATOM 0 H ASP A 66 -3.367 -6.065 4.346 1.00 62.35 H new ATOM 0 HA ASP A 66 -5.031 -7.560 6.214 1.00 22.42 H new ATOM 0 HB2 ASP A 66 -2.064 -6.885 6.141 1.00 2.01 H new ATOM 0 HB3 ASP A 66 -2.823 -7.865 7.379 1.00 2.01 H new ATOM 1069 N SER A 67 -4.505 -4.522 6.613 1.00 11.25 N ATOM 1070 CA SER A 67 -4.643 -3.363 7.464 1.00 44.31 C ATOM 1071 C SER A 67 -6.107 -3.131 7.815 1.00 53.30 C ATOM 1072 O SER A 67 -7.004 -3.528 7.074 1.00 52.05 O ATOM 1073 CB SER A 67 -4.070 -2.134 6.754 1.00 42.30 C ATOM 1074 OG SER A 67 -4.177 -0.965 7.559 1.00 12.50 O ATOM 0 H SER A 67 -4.519 -4.315 5.614 1.00 11.25 H new ATOM 0 HA SER A 67 -4.091 -3.535 8.388 1.00 44.31 H new ATOM 0 HB2 SER A 67 -3.023 -2.311 6.507 1.00 42.30 H new ATOM 0 HB3 SER A 67 -4.598 -1.978 5.813 1.00 42.30 H new ATOM 0 HG SER A 67 -4.531 -0.228 7.019 1.00 12.50 H new ATOM 1080 N SER A 68 -6.340 -2.480 8.945 1.00 74.31 N ATOM 1081 CA SER A 68 -7.686 -2.155 9.373 1.00 32.20 C ATOM 1082 C SER A 68 -8.231 -0.996 8.539 1.00 73.30 C ATOM 1083 O SER A 68 -9.415 -0.666 8.596 1.00 54.41 O ATOM 1084 CB SER A 68 -7.682 -1.791 10.853 1.00 25.22 C ATOM 1085 OG SER A 68 -7.089 -2.827 11.623 1.00 0.25 O ATOM 0 H SER A 68 -5.608 -2.167 9.583 1.00 74.31 H new ATOM 0 HA SER A 68 -8.331 -3.022 9.227 1.00 32.20 H new ATOM 0 HB2 SER A 68 -7.134 -0.861 11.002 1.00 25.22 H new ATOM 0 HB3 SER A 68 -8.703 -1.617 11.193 1.00 25.22 H new ATOM 0 HG SER A 68 -7.094 -2.575 12.570 1.00 0.25 H new ATOM 1091 N SER A 69 -7.347 -0.396 7.745 1.00 54.31 N ATOM 1092 CA SER A 69 -7.710 0.703 6.874 1.00 73.51 C ATOM 1093 C SER A 69 -8.508 0.205 5.671 1.00 74.13 C ATOM 1094 O SER A 69 -8.997 1.000 4.863 1.00 1.01 O ATOM 1095 CB SER A 69 -6.458 1.443 6.416 1.00 53.41 C ATOM 1096 OG SER A 69 -5.532 0.557 5.812 1.00 54.24 O ATOM 0 H SER A 69 -6.364 -0.662 7.692 1.00 54.31 H new ATOM 0 HA SER A 69 -8.342 1.393 7.434 1.00 73.51 H new ATOM 0 HB2 SER A 69 -6.733 2.225 5.708 1.00 53.41 H new ATOM 0 HB3 SER A 69 -5.991 1.936 7.269 1.00 53.41 H new ATOM 0 HG SER A 69 -5.604 0.624 4.837 1.00 54.24 H new ATOM 1102 N ALA A 70 -8.630 -1.121 5.556 1.00 44.03 N ATOM 1103 CA ALA A 70 -9.409 -1.736 4.491 1.00 0.21 C ATOM 1104 C ALA A 70 -10.861 -1.288 4.583 1.00 23.21 C ATOM 1105 O ALA A 70 -11.567 -1.205 3.578 1.00 14.23 O ATOM 1106 CB ALA A 70 -9.315 -3.253 4.580 1.00 1.33 C ATOM 0 H ALA A 70 -8.195 -1.787 6.194 1.00 44.03 H new ATOM 0 HA ALA A 70 -9.005 -1.420 3.529 1.00 0.21 H new ATOM 0 HB1 ALA A 70 -9.902 -3.702 3.778 1.00 1.33 H new ATOM 0 HB2 ALA A 70 -8.273 -3.559 4.483 1.00 1.33 H new ATOM 0 HB3 ALA A 70 -9.702 -3.586 5.543 1.00 1.33 H new ATOM 1112 N LYS A 71 -11.292 -0.987 5.805 1.00 4.20 N ATOM 1113 CA LYS A 71 -12.637 -0.502 6.058 1.00 64.12 C ATOM 1114 C LYS A 71 -12.810 0.911 5.485 1.00 62.44 C ATOM 1115 O LYS A 71 -13.907 1.313 5.108 1.00 4.21 O ATOM 1116 CB LYS A 71 -12.924 -0.522 7.568 1.00 61.30 C ATOM 1117 CG LYS A 71 -14.265 0.077 7.970 1.00 15.00 C ATOM 1118 CD LYS A 71 -15.426 -0.593 7.254 1.00 1.30 C ATOM 1119 CE LYS A 71 -16.755 -0.006 7.692 1.00 12.44 C ATOM 1120 NZ LYS A 71 -17.027 -0.257 9.131 1.00 22.00 N ATOM 0 H LYS A 71 -10.717 -1.074 6.643 1.00 4.20 H new ATOM 0 HA LYS A 71 -13.353 -1.157 5.562 1.00 64.12 H new ATOM 0 HB2 LYS A 71 -12.883 -1.553 7.918 1.00 61.30 H new ATOM 0 HB3 LYS A 71 -12.131 0.021 8.082 1.00 61.30 H new ATOM 0 HG2 LYS A 71 -14.398 -0.022 9.047 1.00 15.00 H new ATOM 0 HG3 LYS A 71 -14.268 1.144 7.745 1.00 15.00 H new ATOM 0 HD2 LYS A 71 -15.310 -0.473 6.177 1.00 1.30 H new ATOM 0 HD3 LYS A 71 -15.413 -1.664 7.459 1.00 1.30 H new ATOM 0 HE2 LYS A 71 -16.756 1.068 7.505 1.00 12.44 H new ATOM 0 HE3 LYS A 71 -17.557 -0.435 7.091 1.00 12.44 H new ATOM 0 HZ1 LYS A 71 -18.027 -0.057 9.335 1.00 22.00 H new ATOM 0 HZ2 LYS A 71 -16.820 -1.251 9.355 1.00 22.00 H new ATOM 0 HZ3 LYS A 71 -16.425 0.362 9.711 1.00 22.00 H new ATOM 1134 N ALA A 72 -11.710 1.639 5.386 1.00 11.42 N ATOM 1135 CA ALA A 72 -11.725 2.987 4.837 1.00 42.55 C ATOM 1136 C ALA A 72 -11.558 2.943 3.321 1.00 13.14 C ATOM 1137 O ALA A 72 -11.231 3.958 2.691 1.00 3.31 O ATOM 1138 CB ALA A 72 -10.621 3.825 5.465 1.00 32.41 C ATOM 0 H ALA A 72 -10.788 1.317 5.681 1.00 11.42 H new ATOM 0 HA ALA A 72 -12.686 3.447 5.069 1.00 42.55 H new ATOM 0 HB1 ALA A 72 -10.644 4.831 5.045 1.00 32.41 H new ATOM 0 HB2 ALA A 72 -10.773 3.878 6.543 1.00 32.41 H new ATOM 0 HB3 ALA A 72 -9.654 3.367 5.257 1.00 32.41 H new ATOM 1144 N ARG A 73 -11.767 1.747 2.749 1.00 73.31 N ATOM 1145 CA ARG A 73 -11.671 1.519 1.304 1.00 44.03 C ATOM 1146 C ARG A 73 -10.214 1.641 0.838 1.00 10.02 C ATOM 1147 O ARG A 73 -9.930 1.793 -0.354 1.00 74.43 O ATOM 1148 CB ARG A 73 -12.607 2.488 0.550 1.00 52.40 C ATOM 1149 CG ARG A 73 -12.804 2.176 -0.926 1.00 52.13 C ATOM 1150 CD ARG A 73 -13.938 3.006 -1.504 1.00 22.01 C ATOM 1151 NE ARG A 73 -14.092 2.814 -2.943 1.00 75.55 N ATOM 1152 CZ ARG A 73 -15.182 2.316 -3.533 1.00 53.03 C ATOM 1153 NH1 ARG A 73 -16.214 1.897 -2.805 1.00 53.52 N ATOM 1154 NH2 ARG A 73 -15.231 2.231 -4.859 1.00 43.14 N ATOM 0 H ARG A 73 -12.008 0.910 3.280 1.00 73.31 H new ATOM 0 HA ARG A 73 -11.998 0.504 1.076 1.00 44.03 H new ATOM 0 HB2 ARG A 73 -13.581 2.483 1.040 1.00 52.40 H new ATOM 0 HB3 ARG A 73 -12.209 3.499 0.642 1.00 52.40 H new ATOM 0 HG2 ARG A 73 -11.883 2.380 -1.472 1.00 52.13 H new ATOM 0 HG3 ARG A 73 -13.022 1.116 -1.053 1.00 52.13 H new ATOM 0 HD2 ARG A 73 -14.869 2.742 -1.003 1.00 22.01 H new ATOM 0 HD3 ARG A 73 -13.754 4.061 -1.299 1.00 22.01 H new ATOM 0 HE ARG A 73 -13.310 3.080 -3.542 1.00 75.55 H new ATOM 0 HH11 ARG A 73 -16.177 1.955 -1.787 1.00 53.52 H new ATOM 0 HH12 ARG A 73 -17.042 1.518 -3.265 1.00 53.52 H new ATOM 0 HH21 ARG A 73 -14.439 2.545 -5.420 1.00 43.14 H new ATOM 0 HH22 ARG A 73 -16.061 1.852 -5.315 1.00 43.14 H new ATOM 1168 N GLY A 74 -9.293 1.557 1.798 1.00 31.41 N ATOM 1169 CA GLY A 74 -7.882 1.628 1.492 1.00 22.42 C ATOM 1170 C GLY A 74 -7.441 3.002 1.034 1.00 53.24 C ATOM 1171 O GLY A 74 -6.490 3.131 0.260 1.00 61.12 O ATOM 0 H GLY A 74 -9.507 1.440 2.788 1.00 31.41 H new ATOM 0 HA2 GLY A 74 -7.310 1.346 2.376 1.00 22.42 H new ATOM 0 HA3 GLY A 74 -7.648 0.900 0.715 1.00 22.42 H new ATOM 1175 N ASP A 75 -8.120 4.031 1.504 1.00 50.14 N ATOM 1176 CA ASP A 75 -7.777 5.393 1.126 1.00 41.43 C ATOM 1177 C ASP A 75 -7.524 6.252 2.357 1.00 2.31 C ATOM 1178 O ASP A 75 -8.275 6.192 3.332 1.00 74.12 O ATOM 1179 CB ASP A 75 -8.879 6.006 0.267 1.00 22.05 C ATOM 1180 CG ASP A 75 -8.529 7.398 -0.207 1.00 33.11 C ATOM 1181 OD1 ASP A 75 -7.666 7.524 -1.095 1.00 65.10 O ATOM 1182 OD2 ASP A 75 -9.109 8.367 0.311 1.00 64.52 O ATOM 0 H ASP A 75 -8.909 3.953 2.145 1.00 50.14 H new ATOM 0 HA ASP A 75 -6.859 5.359 0.540 1.00 41.43 H new ATOM 0 HB2 ASP A 75 -9.062 5.366 -0.596 1.00 22.05 H new ATOM 0 HB3 ASP A 75 -9.806 6.042 0.840 1.00 22.05 H new ATOM 1187 N LEU A 76 -6.456 7.039 2.313 1.00 70.35 N ATOM 1188 CA LEU A 76 -6.080 7.898 3.435 1.00 71.21 C ATOM 1189 C LEU A 76 -6.703 9.277 3.307 1.00 32.21 C ATOM 1190 O LEU A 76 -6.681 10.068 4.255 1.00 32.12 O ATOM 1191 CB LEU A 76 -4.556 8.040 3.511 1.00 12.12 C ATOM 1192 CG LEU A 76 -3.787 6.808 3.988 1.00 33.31 C ATOM 1193 CD1 LEU A 76 -2.299 6.988 3.742 1.00 64.10 C ATOM 1194 CD2 LEU A 76 -4.049 6.558 5.467 1.00 41.23 C ATOM 0 H LEU A 76 -5.831 7.102 1.510 1.00 70.35 H new ATOM 0 HA LEU A 76 -6.451 7.429 4.346 1.00 71.21 H new ATOM 0 HB2 LEU A 76 -4.187 8.312 2.522 1.00 12.12 H new ATOM 0 HB3 LEU A 76 -4.322 8.870 4.178 1.00 12.12 H new ATOM 0 HG LEU A 76 -4.133 5.943 3.422 1.00 33.31 H new ATOM 0 HD11 LEU A 76 -1.764 6.103 4.086 1.00 64.10 H new ATOM 0 HD12 LEU A 76 -2.121 7.128 2.676 1.00 64.10 H new ATOM 0 HD13 LEU A 76 -1.943 7.862 4.287 1.00 64.10 H new ATOM 0 HD21 LEU A 76 -3.494 5.677 5.791 1.00 41.23 H new ATOM 0 HD22 LEU A 76 -3.726 7.424 6.045 1.00 41.23 H new ATOM 0 HD23 LEU A 76 -5.115 6.394 5.625 1.00 41.23 H new ATOM 1206 N GLY A 77 -7.263 9.560 2.151 1.00 3.44 N ATOM 1207 CA GLY A 77 -7.819 10.863 1.912 1.00 33.33 C ATOM 1208 C GLY A 77 -6.730 11.875 1.662 1.00 4.13 C ATOM 1209 O GLY A 77 -5.611 11.510 1.289 1.00 12.44 O ATOM 0 H GLY A 77 -7.343 8.908 1.371 1.00 3.44 H new ATOM 0 HA2 GLY A 77 -8.489 10.825 1.053 1.00 33.33 H new ATOM 0 HA3 GLY A 77 -8.417 11.171 2.770 1.00 33.33 H new ATOM 1213 N ALA A 78 -7.037 13.133 1.866 1.00 3.15 N ATOM 1214 CA ALA A 78 -6.067 14.182 1.663 1.00 42.03 C ATOM 1215 C ALA A 78 -5.278 14.431 2.937 1.00 23.02 C ATOM 1216 O ALA A 78 -5.842 14.806 3.966 1.00 0.24 O ATOM 1217 CB ALA A 78 -6.751 15.458 1.199 1.00 52.11 C ATOM 0 H ALA A 78 -7.954 13.456 2.174 1.00 3.15 H new ATOM 0 HA ALA A 78 -5.372 13.863 0.886 1.00 42.03 H new ATOM 0 HB1 ALA A 78 -6.004 16.238 1.051 1.00 52.11 H new ATOM 0 HB2 ALA A 78 -7.271 15.271 0.260 1.00 52.11 H new ATOM 0 HB3 ALA A 78 -7.469 15.781 1.953 1.00 52.11 H new ATOM 1223 N PHE A 79 -3.988 14.204 2.875 1.00 64.15 N ATOM 1224 CA PHE A 79 -3.112 14.429 4.006 1.00 21.52 C ATOM 1225 C PHE A 79 -2.088 15.491 3.655 1.00 55.41 C ATOM 1226 O PHE A 79 -1.932 15.843 2.484 1.00 73.10 O ATOM 1227 CB PHE A 79 -2.427 13.121 4.453 1.00 64.14 C ATOM 1228 CG PHE A 79 -1.613 12.437 3.383 1.00 13.33 C ATOM 1229 CD1 PHE A 79 -2.212 11.564 2.490 1.00 41.14 C ATOM 1230 CD2 PHE A 79 -0.248 12.662 3.280 1.00 23.31 C ATOM 1231 CE1 PHE A 79 -1.470 10.932 1.514 1.00 32.42 C ATOM 1232 CE2 PHE A 79 0.502 12.030 2.307 1.00 62.32 C ATOM 1233 CZ PHE A 79 -0.111 11.163 1.423 1.00 22.31 C ATOM 0 H PHE A 79 -3.513 13.858 2.041 1.00 64.15 H new ATOM 0 HA PHE A 79 -3.710 14.781 4.846 1.00 21.52 H new ATOM 0 HB2 PHE A 79 -1.777 13.339 5.301 1.00 64.14 H new ATOM 0 HB3 PHE A 79 -3.191 12.429 4.807 1.00 64.14 H new ATOM 0 HD1 PHE A 79 -3.273 11.376 2.559 1.00 41.14 H new ATOM 0 HD2 PHE A 79 0.234 13.340 3.969 1.00 23.31 H new ATOM 0 HE1 PHE A 79 -1.951 10.257 0.822 1.00 32.42 H new ATOM 0 HE2 PHE A 79 1.564 12.213 2.238 1.00 62.32 H new ATOM 0 HZ PHE A 79 0.472 10.666 0.661 1.00 22.31 H new ATOM 1243 N SER A 80 -1.400 16.004 4.645 1.00 72.22 N ATOM 1244 CA SER A 80 -0.443 17.056 4.408 1.00 13.21 C ATOM 1245 C SER A 80 0.971 16.496 4.265 1.00 1.03 C ATOM 1246 O SER A 80 1.214 15.312 4.510 1.00 0.52 O ATOM 1247 CB SER A 80 -0.504 18.096 5.530 1.00 44.53 C ATOM 1248 OG SER A 80 0.160 19.295 5.154 1.00 41.03 O ATOM 0 H SER A 80 -1.484 15.712 5.619 1.00 72.22 H new ATOM 0 HA SER A 80 -0.703 17.544 3.468 1.00 13.21 H new ATOM 0 HB2 SER A 80 -1.544 18.314 5.772 1.00 44.53 H new ATOM 0 HB3 SER A 80 -0.045 17.690 6.432 1.00 44.53 H new ATOM 0 HG SER A 80 0.110 19.405 4.182 1.00 41.03 H new ATOM 1254 N ARG A 81 1.888 17.357 3.859 1.00 33.45 N ATOM 1255 CA ARG A 81 3.279 16.992 3.678 1.00 65.13 C ATOM 1256 C ARG A 81 3.953 16.728 5.023 1.00 12.32 C ATOM 1257 O ARG A 81 3.811 17.513 5.967 1.00 65.54 O ATOM 1258 CB ARG A 81 4.021 18.108 2.926 1.00 71.53 C ATOM 1259 CG ARG A 81 3.923 19.473 3.600 1.00 15.14 C ATOM 1260 CD ARG A 81 4.694 20.537 2.839 1.00 22.21 C ATOM 1261 NE ARG A 81 4.613 21.843 3.500 1.00 61.14 N ATOM 1262 CZ ARG A 81 5.537 22.802 3.392 1.00 54.31 C ATOM 1263 NH1 ARG A 81 6.626 22.604 2.657 1.00 23.22 N ATOM 1264 NH2 ARG A 81 5.368 23.957 4.025 1.00 2.13 N ATOM 0 H ARG A 81 1.686 18.334 3.645 1.00 33.45 H new ATOM 0 HA ARG A 81 3.320 16.075 3.090 1.00 65.13 H new ATOM 0 HB2 ARG A 81 5.072 17.834 2.832 1.00 71.53 H new ATOM 0 HB3 ARG A 81 3.619 18.182 1.915 1.00 71.53 H new ATOM 0 HG2 ARG A 81 2.876 19.767 3.674 1.00 15.14 H new ATOM 0 HG3 ARG A 81 4.308 19.404 4.618 1.00 15.14 H new ATOM 0 HD2 ARG A 81 5.738 20.237 2.752 1.00 22.21 H new ATOM 0 HD3 ARG A 81 4.300 20.617 1.826 1.00 22.21 H new ATOM 0 HE ARG A 81 3.797 22.032 4.081 1.00 61.14 H new ATOM 0 HH11 ARG A 81 6.760 21.717 2.172 1.00 23.22 H new ATOM 0 HH12 ARG A 81 7.328 23.339 2.578 1.00 23.22 H new ATOM 0 HH21 ARG A 81 4.534 24.111 4.592 1.00 2.13 H new ATOM 0 HH22 ARG A 81 6.072 24.691 3.944 1.00 2.13 H new ATOM 1278 N GLY A 82 4.661 15.621 5.113 1.00 1.23 N ATOM 1279 CA GLY A 82 5.372 15.290 6.329 1.00 22.51 C ATOM 1280 C GLY A 82 4.449 14.750 7.400 1.00 13.12 C ATOM 1281 O GLY A 82 4.609 15.063 8.580 1.00 70.23 O ATOM 0 H GLY A 82 4.759 14.938 4.362 1.00 1.23 H new ATOM 0 HA2 GLY A 82 6.142 14.551 6.108 1.00 22.51 H new ATOM 0 HA3 GLY A 82 5.881 16.178 6.704 1.00 22.51 H new ATOM 1285 N GLN A 83 3.495 13.929 6.994 1.00 74.01 N ATOM 1286 CA GLN A 83 2.503 13.396 7.920 1.00 0.41 C ATOM 1287 C GLN A 83 2.475 11.870 7.918 1.00 34.13 C ATOM 1288 O GLN A 83 1.754 11.260 8.709 1.00 71.44 O ATOM 1289 CB GLN A 83 1.113 13.932 7.566 1.00 50.45 C ATOM 1290 CG GLN A 83 0.971 15.438 7.707 1.00 51.43 C ATOM 1291 CD GLN A 83 0.989 15.896 9.147 1.00 3.40 C ATOM 1292 OE1 GLN A 83 2.044 16.182 9.710 1.00 22.32 O ATOM 1293 NE2 GLN A 83 -0.176 15.969 9.753 1.00 20.12 N ATOM 0 H GLN A 83 3.384 13.616 6.030 1.00 74.01 H new ATOM 0 HA GLN A 83 2.786 13.724 8.920 1.00 0.41 H new ATOM 0 HB2 GLN A 83 0.878 13.651 6.539 1.00 50.45 H new ATOM 0 HB3 GLN A 83 0.375 13.447 8.206 1.00 50.45 H new ATOM 0 HG2 GLN A 83 1.780 15.927 7.165 1.00 51.43 H new ATOM 0 HG3 GLN A 83 0.038 15.756 7.241 1.00 51.43 H new ATOM 0 HE21 GLN A 83 -1.029 15.723 9.250 1.00 20.12 H new ATOM 0 HE22 GLN A 83 -0.227 16.272 10.726 1.00 20.12 H new ATOM 1302 N MET A 84 3.251 11.253 7.042 1.00 54.42 N ATOM 1303 CA MET A 84 3.243 9.798 6.936 1.00 32.34 C ATOM 1304 C MET A 84 4.661 9.220 7.078 1.00 31.51 C ATOM 1305 O MET A 84 5.633 9.965 7.177 1.00 35.11 O ATOM 1306 CB MET A 84 2.604 9.388 5.598 1.00 21.02 C ATOM 1307 CG MET A 84 2.247 7.914 5.492 1.00 52.43 C ATOM 1308 SD MET A 84 1.239 7.334 6.873 1.00 13.43 S ATOM 1309 CE MET A 84 -0.193 8.407 6.730 1.00 53.54 C ATOM 0 H MET A 84 3.887 11.726 6.401 1.00 54.42 H new ATOM 0 HA MET A 84 2.650 9.387 7.753 1.00 32.34 H new ATOM 0 HB2 MET A 84 1.701 9.979 5.446 1.00 21.02 H new ATOM 0 HB3 MET A 84 3.290 9.641 4.790 1.00 21.02 H new ATOM 0 HG2 MET A 84 1.710 7.742 4.559 1.00 52.43 H new ATOM 0 HG3 MET A 84 3.164 7.326 5.446 1.00 52.43 H new ATOM 0 HE1 MET A 84 -1.090 7.857 7.016 1.00 53.54 H new ATOM 0 HE2 MET A 84 -0.070 9.268 7.388 1.00 53.54 H new ATOM 0 HE3 MET A 84 -0.290 8.749 5.700 1.00 53.54 H new ATOM 1319 N GLN A 85 4.760 7.885 7.122 1.00 42.32 N ATOM 1320 CA GLN A 85 6.051 7.196 7.221 1.00 25.54 C ATOM 1321 C GLN A 85 6.987 7.638 6.103 1.00 51.43 C ATOM 1322 O GLN A 85 6.544 7.891 4.989 1.00 11.34 O ATOM 1323 CB GLN A 85 5.849 5.679 7.160 1.00 75.11 C ATOM 1324 CG GLN A 85 4.998 5.122 8.290 1.00 40.40 C ATOM 1325 CD GLN A 85 5.582 5.416 9.657 1.00 54.42 C ATOM 1326 OE1 GLN A 85 5.286 6.441 10.263 1.00 44.20 O ATOM 1327 NE2 GLN A 85 6.410 4.521 10.154 1.00 53.11 N ATOM 0 H GLN A 85 3.956 7.259 7.090 1.00 42.32 H new ATOM 0 HA GLN A 85 6.503 7.458 8.177 1.00 25.54 H new ATOM 0 HB2 GLN A 85 5.383 5.423 6.208 1.00 75.11 H new ATOM 0 HB3 GLN A 85 6.824 5.192 7.179 1.00 75.11 H new ATOM 0 HG2 GLN A 85 3.996 5.546 8.228 1.00 40.40 H new ATOM 0 HG3 GLN A 85 4.896 4.044 8.166 1.00 40.40 H new ATOM 0 HE21 GLN A 85 6.633 3.680 9.621 1.00 53.11 H new ATOM 0 HE22 GLN A 85 6.829 4.668 11.072 1.00 53.11 H new ATOM 1336 N LYS A 86 8.277 7.707 6.408 1.00 42.33 N ATOM 1337 CA LYS A 86 9.299 8.179 5.458 1.00 71.32 C ATOM 1338 C LYS A 86 9.193 7.516 4.054 1.00 63.21 C ATOM 1339 O LYS A 86 9.100 8.228 3.049 1.00 45.44 O ATOM 1340 CB LYS A 86 10.712 7.992 6.042 1.00 33.20 C ATOM 1341 CG LYS A 86 11.826 8.521 5.149 1.00 14.45 C ATOM 1342 CD LYS A 86 11.771 10.038 5.023 1.00 31.55 C ATOM 1343 CE LYS A 86 12.788 10.550 4.011 1.00 51.42 C ATOM 1344 NZ LYS A 86 12.475 10.089 2.635 1.00 21.34 N ATOM 0 H LYS A 86 8.653 7.440 7.318 1.00 42.33 H new ATOM 0 HA LYS A 86 9.109 9.242 5.309 1.00 71.32 H new ATOM 0 HB2 LYS A 86 10.764 8.495 7.008 1.00 33.20 H new ATOM 0 HB3 LYS A 86 10.881 6.931 6.226 1.00 33.20 H new ATOM 0 HG2 LYS A 86 12.792 8.224 5.557 1.00 14.45 H new ATOM 0 HG3 LYS A 86 11.745 8.070 4.160 1.00 14.45 H new ATOM 0 HD2 LYS A 86 10.769 10.343 4.720 1.00 31.55 H new ATOM 0 HD3 LYS A 86 11.963 10.492 5.995 1.00 31.55 H new ATOM 0 HE2 LYS A 86 12.807 11.640 4.034 1.00 51.42 H new ATOM 0 HE3 LYS A 86 13.784 10.208 4.291 1.00 51.42 H new ATOM 0 HZ1 LYS A 86 13.238 9.470 2.294 1.00 21.34 H new ATOM 0 HZ2 LYS A 86 11.578 9.562 2.641 1.00 21.34 H new ATOM 0 HZ3 LYS A 86 12.389 10.912 2.004 1.00 21.34 H new ATOM 1358 N PRO A 87 9.199 6.154 3.955 1.00 3.22 N ATOM 1359 CA PRO A 87 9.124 5.461 2.653 1.00 5.53 C ATOM 1360 C PRO A 87 7.818 5.750 1.901 1.00 34.44 C ATOM 1361 O PRO A 87 7.775 5.702 0.671 1.00 64.13 O ATOM 1362 CB PRO A 87 9.211 3.973 3.027 1.00 62.02 C ATOM 1363 CG PRO A 87 8.806 3.913 4.459 1.00 13.30 C ATOM 1364 CD PRO A 87 9.289 5.191 5.073 1.00 20.12 C ATOM 0 HA PRO A 87 9.914 5.791 1.979 1.00 5.53 H new ATOM 0 HB2 PRO A 87 8.550 3.370 2.404 1.00 62.02 H new ATOM 0 HB3 PRO A 87 10.221 3.589 2.886 1.00 62.02 H new ATOM 0 HG2 PRO A 87 7.725 3.817 4.556 1.00 13.30 H new ATOM 0 HG3 PRO A 87 9.249 3.049 4.955 1.00 13.30 H new ATOM 0 HD2 PRO A 87 8.668 5.493 5.916 1.00 20.12 H new ATOM 0 HD3 PRO A 87 10.309 5.099 5.445 1.00 20.12 H new ATOM 1372 N PHE A 88 6.771 6.062 2.646 1.00 11.23 N ATOM 1373 CA PHE A 88 5.469 6.351 2.061 1.00 20.02 C ATOM 1374 C PHE A 88 5.406 7.820 1.644 1.00 23.12 C ATOM 1375 O PHE A 88 4.927 8.155 0.557 1.00 13.52 O ATOM 1376 CB PHE A 88 4.364 6.040 3.088 1.00 73.52 C ATOM 1377 CG PHE A 88 2.966 5.975 2.517 1.00 35.04 C ATOM 1378 CD1 PHE A 88 2.296 7.127 2.135 1.00 2.42 C ATOM 1379 CD2 PHE A 88 2.326 4.754 2.373 1.00 4.33 C ATOM 1380 CE1 PHE A 88 1.017 7.064 1.619 1.00 51.33 C ATOM 1381 CE2 PHE A 88 1.046 4.686 1.858 1.00 50.53 C ATOM 1382 CZ PHE A 88 0.390 5.842 1.480 1.00 24.12 C ATOM 0 H PHE A 88 6.796 6.122 3.664 1.00 11.23 H new ATOM 0 HA PHE A 88 5.319 5.729 1.179 1.00 20.02 H new ATOM 0 HB2 PHE A 88 4.590 5.087 3.566 1.00 73.52 H new ATOM 0 HB3 PHE A 88 4.388 6.802 3.868 1.00 73.52 H new ATOM 0 HD1 PHE A 88 2.781 8.086 2.242 1.00 2.42 H new ATOM 0 HD2 PHE A 88 2.833 3.847 2.666 1.00 4.33 H new ATOM 0 HE1 PHE A 88 0.508 7.970 1.324 1.00 51.33 H new ATOM 0 HE2 PHE A 88 0.558 3.729 1.751 1.00 50.53 H new ATOM 0 HZ PHE A 88 -0.611 5.790 1.077 1.00 24.12 H new ATOM 1392 N GLU A 89 5.910 8.674 2.521 1.00 32.51 N ATOM 1393 CA GLU A 89 5.943 10.117 2.318 1.00 32.12 C ATOM 1394 C GLU A 89 6.673 10.469 1.024 1.00 13.22 C ATOM 1395 O GLU A 89 6.163 11.221 0.182 1.00 51.05 O ATOM 1396 CB GLU A 89 6.669 10.763 3.502 1.00 55.54 C ATOM 1397 CG GLU A 89 6.687 12.278 3.490 1.00 12.23 C ATOM 1398 CD GLU A 89 5.342 12.874 3.810 1.00 72.51 C ATOM 1399 OE1 GLU A 89 4.779 12.537 4.877 1.00 72.25 O ATOM 1400 OE2 GLU A 89 4.863 13.717 3.027 1.00 73.33 O ATOM 0 H GLU A 89 6.315 8.380 3.410 1.00 32.51 H new ATOM 0 HA GLU A 89 4.921 10.488 2.247 1.00 32.12 H new ATOM 0 HB2 GLU A 89 6.197 10.427 4.426 1.00 55.54 H new ATOM 0 HB3 GLU A 89 7.697 10.402 3.520 1.00 55.54 H new ATOM 0 HG2 GLU A 89 7.420 12.635 4.213 1.00 12.23 H new ATOM 0 HG3 GLU A 89 7.011 12.626 2.509 1.00 12.23 H new ATOM 1407 N ASP A 90 7.865 9.919 0.872 1.00 0.34 N ATOM 1408 CA ASP A 90 8.696 10.181 -0.294 1.00 52.54 C ATOM 1409 C ASP A 90 8.036 9.688 -1.573 1.00 13.24 C ATOM 1410 O ASP A 90 7.936 10.425 -2.555 1.00 31.43 O ATOM 1411 CB ASP A 90 10.069 9.527 -0.126 1.00 2.31 C ATOM 1412 CG ASP A 90 10.988 9.795 -1.299 1.00 53.13 C ATOM 1413 OD1 ASP A 90 11.459 10.945 -1.446 1.00 65.53 O ATOM 1414 OD2 ASP A 90 11.251 8.860 -2.077 1.00 61.13 O ATOM 0 H ASP A 90 8.284 9.281 1.549 1.00 0.34 H new ATOM 0 HA ASP A 90 8.820 11.261 -0.375 1.00 52.54 H new ATOM 0 HB2 ASP A 90 10.534 9.897 0.788 1.00 2.31 H new ATOM 0 HB3 ASP A 90 9.943 8.451 -0.006 1.00 2.31 H new ATOM 1419 N ALA A 91 7.559 8.452 -1.546 1.00 32.55 N ATOM 1420 CA ALA A 91 6.940 7.836 -2.716 1.00 33.43 C ATOM 1421 C ALA A 91 5.685 8.585 -3.162 1.00 72.10 C ATOM 1422 O ALA A 91 5.408 8.679 -4.354 1.00 4.31 O ATOM 1423 CB ALA A 91 6.619 6.381 -2.438 1.00 2.21 C ATOM 0 H ALA A 91 7.588 7.851 -0.722 1.00 32.55 H new ATOM 0 HA ALA A 91 7.659 7.892 -3.534 1.00 33.43 H new ATOM 0 HB1 ALA A 91 6.158 5.935 -3.319 1.00 2.21 H new ATOM 0 HB2 ALA A 91 7.537 5.845 -2.199 1.00 2.21 H new ATOM 0 HB3 ALA A 91 5.930 6.315 -1.596 1.00 2.21 H new ATOM 1429 N SER A 92 4.939 9.126 -2.207 1.00 53.31 N ATOM 1430 CA SER A 92 3.719 9.867 -2.515 1.00 63.45 C ATOM 1431 C SER A 92 4.005 11.062 -3.427 1.00 13.11 C ATOM 1432 O SER A 92 3.367 11.228 -4.466 1.00 2.34 O ATOM 1433 CB SER A 92 3.039 10.334 -1.229 1.00 2.34 C ATOM 1434 OG SER A 92 2.605 9.229 -0.458 1.00 34.44 O ATOM 0 H SER A 92 5.156 9.066 -1.212 1.00 53.31 H new ATOM 0 HA SER A 92 3.047 9.193 -3.046 1.00 63.45 H new ATOM 0 HB2 SER A 92 3.732 10.940 -0.646 1.00 2.34 H new ATOM 0 HB3 SER A 92 2.188 10.969 -1.473 1.00 2.34 H new ATOM 0 HG SER A 92 3.381 8.785 -0.057 1.00 34.44 H new ATOM 1440 N PHE A 93 4.976 11.874 -3.049 1.00 53.24 N ATOM 1441 CA PHE A 93 5.316 13.053 -3.832 1.00 72.44 C ATOM 1442 C PHE A 93 6.169 12.698 -5.041 1.00 4.01 C ATOM 1443 O PHE A 93 6.296 13.490 -5.975 1.00 3.12 O ATOM 1444 CB PHE A 93 5.995 14.110 -2.960 1.00 0.43 C ATOM 1445 CG PHE A 93 5.034 14.830 -2.050 1.00 33.42 C ATOM 1446 CD1 PHE A 93 4.502 14.201 -0.935 1.00 45.03 C ATOM 1447 CD2 PHE A 93 4.652 16.134 -2.321 1.00 45.13 C ATOM 1448 CE1 PHE A 93 3.612 14.859 -0.108 1.00 31.44 C ATOM 1449 CE2 PHE A 93 3.762 16.797 -1.499 1.00 22.41 C ATOM 1450 CZ PHE A 93 3.242 16.159 -0.390 1.00 12.35 C ATOM 0 H PHE A 93 5.541 11.742 -2.210 1.00 53.24 H new ATOM 0 HA PHE A 93 4.386 13.478 -4.210 1.00 72.44 H new ATOM 0 HB2 PHE A 93 6.769 13.634 -2.358 1.00 0.43 H new ATOM 0 HB3 PHE A 93 6.493 14.837 -3.602 1.00 0.43 H new ATOM 0 HD1 PHE A 93 4.787 13.184 -0.710 1.00 45.03 H new ATOM 0 HD2 PHE A 93 5.056 16.639 -3.186 1.00 45.13 H new ATOM 0 HE1 PHE A 93 3.206 14.357 0.758 1.00 31.44 H new ATOM 0 HE2 PHE A 93 3.473 17.813 -1.723 1.00 22.41 H new ATOM 0 HZ PHE A 93 2.547 16.676 0.255 1.00 12.35 H new ATOM 1460 N ALA A 94 6.749 11.502 -5.026 1.00 21.20 N ATOM 1461 CA ALA A 94 7.533 11.025 -6.157 1.00 34.04 C ATOM 1462 C ALA A 94 6.607 10.652 -7.302 1.00 34.21 C ATOM 1463 O ALA A 94 6.975 10.738 -8.471 1.00 3.12 O ATOM 1464 CB ALA A 94 8.385 9.834 -5.753 1.00 43.22 C ATOM 0 H ALA A 94 6.691 10.848 -4.245 1.00 21.20 H new ATOM 0 HA ALA A 94 8.200 11.822 -6.485 1.00 34.04 H new ATOM 0 HB1 ALA A 94 8.963 9.492 -6.612 1.00 43.22 H new ATOM 0 HB2 ALA A 94 9.064 10.127 -4.952 1.00 43.22 H new ATOM 0 HB3 ALA A 94 7.740 9.027 -5.405 1.00 43.22 H new ATOM 1470 N LEU A 95 5.402 10.234 -6.949 1.00 54.03 N ATOM 1471 CA LEU A 95 4.386 9.891 -7.923 1.00 44.24 C ATOM 1472 C LEU A 95 3.642 11.145 -8.359 1.00 50.11 C ATOM 1473 O LEU A 95 4.028 12.261 -8.015 1.00 74.44 O ATOM 1474 CB LEU A 95 3.381 8.903 -7.322 1.00 2.14 C ATOM 1475 CG LEU A 95 3.932 7.550 -6.887 1.00 22.31 C ATOM 1476 CD1 LEU A 95 2.844 6.746 -6.194 1.00 13.22 C ATOM 1477 CD2 LEU A 95 4.482 6.784 -8.082 1.00 74.35 C ATOM 0 H LEU A 95 5.104 10.124 -5.980 1.00 54.03 H new ATOM 0 HA LEU A 95 4.876 9.432 -8.782 1.00 44.24 H new ATOM 0 HB2 LEU A 95 2.914 9.375 -6.457 1.00 2.14 H new ATOM 0 HB3 LEU A 95 2.593 8.730 -8.055 1.00 2.14 H new ATOM 0 HG LEU A 95 4.750 7.715 -6.185 1.00 22.31 H new ATOM 0 HD11 LEU A 95 3.245 5.780 -5.886 1.00 13.22 H new ATOM 0 HD12 LEU A 95 2.493 7.289 -5.317 1.00 13.22 H new ATOM 0 HD13 LEU A 95 2.013 6.591 -6.881 1.00 13.22 H new ATOM 0 HD21 LEU A 95 4.870 5.821 -7.750 1.00 74.35 H new ATOM 0 HD22 LEU A 95 3.686 6.623 -8.809 1.00 74.35 H new ATOM 0 HD23 LEU A 95 5.284 7.359 -8.545 1.00 74.35 H new ATOM 1489 N ARG A 96 2.581 10.953 -9.106 1.00 2.44 N ATOM 1490 CA ARG A 96 1.740 12.046 -9.545 1.00 4.41 C ATOM 1491 C ARG A 96 0.305 11.557 -9.660 1.00 51.35 C ATOM 1492 O ARG A 96 0.025 10.392 -9.371 1.00 20.34 O ATOM 1493 CB ARG A 96 2.234 12.623 -10.881 1.00 62.41 C ATOM 1494 CG ARG A 96 2.235 11.631 -12.023 1.00 30.52 C ATOM 1495 CD ARG A 96 2.602 12.289 -13.340 1.00 41.20 C ATOM 1496 NE ARG A 96 1.611 13.285 -13.756 1.00 40.51 N ATOM 1497 CZ ARG A 96 1.247 13.502 -15.025 1.00 25.13 C ATOM 1498 NH1 ARG A 96 1.811 12.815 -16.014 1.00 75.13 N ATOM 1499 NH2 ARG A 96 0.331 14.415 -15.300 1.00 1.15 N ATOM 0 H ARG A 96 2.274 10.035 -9.428 1.00 2.44 H new ATOM 0 HA ARG A 96 1.787 12.849 -8.810 1.00 4.41 H new ATOM 0 HB2 ARG A 96 1.605 13.471 -11.152 1.00 62.41 H new ATOM 0 HB3 ARG A 96 3.246 13.006 -10.747 1.00 62.41 H new ATOM 0 HG2 ARG A 96 2.942 10.829 -11.808 1.00 30.52 H new ATOM 0 HG3 ARG A 96 1.250 11.173 -12.108 1.00 30.52 H new ATOM 0 HD2 ARG A 96 3.577 12.767 -13.246 1.00 41.20 H new ATOM 0 HD3 ARG A 96 2.694 11.526 -14.113 1.00 41.20 H new ATOM 0 HE ARG A 96 1.170 13.850 -13.030 1.00 40.51 H new ATOM 0 HH11 ARG A 96 2.526 12.117 -15.807 1.00 75.13 H new ATOM 0 HH12 ARG A 96 1.529 12.986 -16.979 1.00 75.13 H new ATOM 0 HH21 ARG A 96 -0.096 14.952 -14.545 1.00 1.15 H new ATOM 0 HH22 ARG A 96 0.052 14.582 -16.267 1.00 1.15 H new ATOM 1513 N THR A 97 -0.591 12.436 -10.075 1.00 74.45 N ATOM 1514 CA THR A 97 -2.009 12.114 -10.200 1.00 32.31 C ATOM 1515 C THR A 97 -2.242 10.877 -11.083 1.00 12.32 C ATOM 1516 O THR A 97 -1.959 10.895 -12.283 1.00 43.21 O ATOM 1517 CB THR A 97 -2.774 13.307 -10.802 1.00 43.40 C ATOM 1518 OG1 THR A 97 -2.502 14.489 -10.039 1.00 45.04 O ATOM 1519 CG2 THR A 97 -4.273 13.050 -10.822 1.00 22.32 C ATOM 0 H THR A 97 -0.359 13.395 -10.336 1.00 74.45 H new ATOM 0 HA THR A 97 -2.377 11.896 -9.197 1.00 32.31 H new ATOM 0 HB THR A 97 -2.437 13.441 -11.830 1.00 43.40 H new ATOM 0 HG1 THR A 97 -2.169 14.237 -9.153 1.00 45.04 H new ATOM 0 HG21 THR A 97 -4.784 13.911 -11.253 1.00 22.32 H new ATOM 0 HG22 THR A 97 -4.482 12.165 -11.423 1.00 22.32 H new ATOM 0 HG23 THR A 97 -4.628 12.889 -9.804 1.00 22.32 H new ATOM 1527 N GLY A 98 -2.723 9.801 -10.468 1.00 41.42 N ATOM 1528 CA GLY A 98 -3.064 8.607 -11.214 1.00 21.41 C ATOM 1529 C GLY A 98 -1.976 7.553 -11.203 1.00 34.40 C ATOM 1530 O GLY A 98 -2.186 6.435 -11.685 1.00 61.04 O ATOM 0 H GLY A 98 -2.883 9.736 -9.463 1.00 41.42 H new ATOM 0 HA2 GLY A 98 -3.977 8.179 -10.800 1.00 21.41 H new ATOM 0 HA3 GLY A 98 -3.280 8.883 -12.246 1.00 21.41 H new ATOM 1534 N GLU A 99 -0.822 7.888 -10.647 1.00 4.30 N ATOM 1535 CA GLU A 99 0.303 6.963 -10.627 1.00 42.13 C ATOM 1536 C GLU A 99 0.308 6.106 -9.374 1.00 51.01 C ATOM 1537 O GLU A 99 -0.141 6.534 -8.305 1.00 4.34 O ATOM 1538 CB GLU A 99 1.622 7.709 -10.765 1.00 61.20 C ATOM 1539 CG GLU A 99 1.811 8.363 -12.119 1.00 52.33 C ATOM 1540 CD GLU A 99 1.784 7.369 -13.254 1.00 22.55 C ATOM 1541 OE1 GLU A 99 2.801 6.675 -13.462 1.00 4.21 O ATOM 1542 OE2 GLU A 99 0.757 7.275 -13.948 1.00 40.44 O ATOM 0 H GLU A 99 -0.639 8.789 -10.205 1.00 4.30 H new ATOM 0 HA GLU A 99 0.187 6.298 -11.482 1.00 42.13 H new ATOM 0 HB2 GLU A 99 1.680 8.474 -9.990 1.00 61.20 H new ATOM 0 HB3 GLU A 99 2.443 7.014 -10.589 1.00 61.20 H new ATOM 0 HG2 GLU A 99 1.027 9.105 -12.272 1.00 52.33 H new ATOM 0 HG3 GLU A 99 2.762 8.896 -12.131 1.00 52.33 H new ATOM 1549 N MET A 100 0.830 4.902 -9.512 1.00 61.42 N ATOM 1550 CA MET A 100 0.893 3.955 -8.423 1.00 44.41 C ATOM 1551 C MET A 100 2.294 3.372 -8.310 1.00 34.13 C ATOM 1552 O MET A 100 2.881 2.950 -9.308 1.00 34.43 O ATOM 1553 CB MET A 100 -0.128 2.835 -8.648 1.00 71.03 C ATOM 1554 CG MET A 100 -0.165 1.789 -7.544 1.00 31.24 C ATOM 1555 SD MET A 100 -1.438 0.538 -7.814 1.00 5.44 S ATOM 1556 CE MET A 100 -0.908 -0.158 -9.377 1.00 51.23 C ATOM 0 H MET A 100 1.223 4.555 -10.387 1.00 61.42 H new ATOM 0 HA MET A 100 0.656 4.471 -7.493 1.00 44.41 H new ATOM 0 HB2 MET A 100 -1.119 3.278 -8.746 1.00 71.03 H new ATOM 0 HB3 MET A 100 0.095 2.341 -9.593 1.00 71.03 H new ATOM 0 HG2 MET A 100 0.808 1.303 -7.477 1.00 31.24 H new ATOM 0 HG3 MET A 100 -0.342 2.282 -6.588 1.00 31.24 H new ATOM 0 HE1 MET A 100 -1.325 -1.159 -9.490 1.00 51.23 H new ATOM 0 HE2 MET A 100 -1.256 0.475 -10.194 1.00 51.23 H new ATOM 0 HE3 MET A 100 0.180 -0.214 -9.400 1.00 51.23 H new ATOM 1566 N SER A 101 2.825 3.365 -7.105 1.00 40.41 N ATOM 1567 CA SER A 101 4.150 2.831 -6.853 1.00 21.03 C ATOM 1568 C SER A 101 4.058 1.332 -6.589 1.00 0.25 C ATOM 1569 O SER A 101 2.965 0.797 -6.394 1.00 10.31 O ATOM 1570 CB SER A 101 4.797 3.553 -5.657 1.00 74.21 C ATOM 1571 OG SER A 101 6.143 3.137 -5.459 1.00 51.30 O ATOM 0 H SER A 101 2.354 3.727 -6.276 1.00 40.41 H new ATOM 0 HA SER A 101 4.776 2.996 -7.730 1.00 21.03 H new ATOM 0 HB2 SER A 101 4.769 4.630 -5.823 1.00 74.21 H new ATOM 0 HB3 SER A 101 4.218 3.355 -4.755 1.00 74.21 H new ATOM 0 HG SER A 101 6.524 3.616 -4.694 1.00 51.30 H new ATOM 1577 N GLY A 102 5.198 0.667 -6.580 1.00 73.43 N ATOM 1578 CA GLY A 102 5.221 -0.754 -6.348 1.00 4.24 C ATOM 1579 C GLY A 102 5.317 -1.101 -4.874 1.00 71.41 C ATOM 1580 O GLY A 102 4.651 -0.483 -4.041 1.00 33.41 O ATOM 0 H GLY A 102 6.113 1.091 -6.731 1.00 73.43 H new ATOM 0 HA2 GLY A 102 4.319 -1.202 -6.765 1.00 4.24 H new ATOM 0 HA3 GLY A 102 6.068 -1.191 -6.877 1.00 4.24 H new ATOM 1584 N PRO A 103 6.151 -2.086 -4.522 1.00 61.32 N ATOM 1585 CA PRO A 103 6.300 -2.537 -3.146 1.00 43.32 C ATOM 1586 C PRO A 103 7.112 -1.575 -2.276 1.00 4.40 C ATOM 1587 O PRO A 103 8.326 -1.428 -2.448 1.00 63.00 O ATOM 1588 CB PRO A 103 7.032 -3.875 -3.288 1.00 21.51 C ATOM 1589 CG PRO A 103 7.811 -3.748 -4.549 1.00 32.25 C ATOM 1590 CD PRO A 103 7.016 -2.841 -5.451 1.00 11.43 C ATOM 0 HA PRO A 103 5.334 -2.606 -2.646 1.00 43.32 H new ATOM 0 HB2 PRO A 103 7.686 -4.061 -2.436 1.00 21.51 H new ATOM 0 HB3 PRO A 103 6.330 -4.707 -3.339 1.00 21.51 H new ATOM 0 HG2 PRO A 103 8.800 -3.333 -4.354 1.00 32.25 H new ATOM 0 HG3 PRO A 103 7.961 -4.723 -5.013 1.00 32.25 H new ATOM 0 HD2 PRO A 103 7.665 -2.177 -6.022 1.00 11.43 H new ATOM 0 HD3 PRO A 103 6.428 -3.409 -6.172 1.00 11.43 H new ATOM 1598 N VAL A 104 6.434 -0.904 -1.366 1.00 15.40 N ATOM 1599 CA VAL A 104 7.087 -0.029 -0.412 1.00 54.04 C ATOM 1600 C VAL A 104 7.162 -0.729 0.945 1.00 41.22 C ATOM 1601 O VAL A 104 6.156 -0.857 1.649 1.00 51.22 O ATOM 1602 CB VAL A 104 6.337 1.318 -0.266 1.00 33.41 C ATOM 1603 CG1 VAL A 104 7.027 2.213 0.750 1.00 24.22 C ATOM 1604 CG2 VAL A 104 6.231 2.017 -1.614 1.00 4.33 C ATOM 0 H VAL A 104 5.420 -0.949 -1.267 1.00 15.40 H new ATOM 0 HA VAL A 104 8.090 0.188 -0.779 1.00 54.04 H new ATOM 0 HB VAL A 104 5.330 1.111 0.095 1.00 33.41 H new ATOM 0 HG11 VAL A 104 6.482 3.153 0.836 1.00 24.22 H new ATOM 0 HG12 VAL A 104 7.046 1.715 1.720 1.00 24.22 H new ATOM 0 HG13 VAL A 104 8.048 2.413 0.425 1.00 24.22 H new ATOM 0 HG21 VAL A 104 5.701 2.962 -1.493 1.00 4.33 H new ATOM 0 HG22 VAL A 104 7.231 2.209 -2.004 1.00 4.33 H new ATOM 0 HG23 VAL A 104 5.685 1.382 -2.311 1.00 4.33 H new ATOM 1614 N PHE A 105 8.343 -1.200 1.294 1.00 72.25 N ATOM 1615 CA PHE A 105 8.545 -1.934 2.536 1.00 14.33 C ATOM 1616 C PHE A 105 8.570 -0.997 3.740 1.00 12.25 C ATOM 1617 O PHE A 105 9.375 -0.067 3.802 1.00 45.00 O ATOM 1618 CB PHE A 105 9.842 -2.744 2.473 1.00 40.31 C ATOM 1619 CG PHE A 105 9.827 -3.838 1.442 1.00 75.32 C ATOM 1620 CD1 PHE A 105 10.177 -3.578 0.127 1.00 51.24 C ATOM 1621 CD2 PHE A 105 9.469 -5.126 1.791 1.00 22.02 C ATOM 1622 CE1 PHE A 105 10.167 -4.582 -0.818 1.00 40.03 C ATOM 1623 CE2 PHE A 105 9.455 -6.135 0.850 1.00 74.30 C ATOM 1624 CZ PHE A 105 9.805 -5.862 -0.457 1.00 73.31 C ATOM 0 H PHE A 105 9.187 -1.088 0.732 1.00 72.25 H new ATOM 0 HA PHE A 105 7.704 -2.617 2.657 1.00 14.33 H new ATOM 0 HB2 PHE A 105 10.671 -2.069 2.260 1.00 40.31 H new ATOM 0 HB3 PHE A 105 10.032 -3.183 3.452 1.00 40.31 H new ATOM 0 HD1 PHE A 105 10.461 -2.577 -0.161 1.00 51.24 H new ATOM 0 HD2 PHE A 105 9.197 -5.346 2.813 1.00 22.02 H new ATOM 0 HE1 PHE A 105 10.442 -4.366 -1.840 1.00 40.03 H new ATOM 0 HE2 PHE A 105 9.171 -7.137 1.136 1.00 74.30 H new ATOM 0 HZ PHE A 105 9.795 -6.650 -1.195 1.00 73.31 H new ATOM 1634 N THR A 106 7.684 -1.246 4.691 1.00 22.42 N ATOM 1635 CA THR A 106 7.598 -0.432 5.889 1.00 61.44 C ATOM 1636 C THR A 106 7.662 -1.333 7.147 1.00 13.41 C ATOM 1637 O THR A 106 8.244 -2.420 7.100 1.00 1.31 O ATOM 1638 CB THR A 106 6.294 0.397 5.879 1.00 30.31 C ATOM 1639 OG1 THR A 106 5.942 0.696 4.523 1.00 33.21 O ATOM 1640 CG2 THR A 106 6.476 1.712 6.631 1.00 42.44 C ATOM 0 H THR A 106 7.011 -2.011 4.654 1.00 22.42 H new ATOM 0 HA THR A 106 8.442 0.257 5.912 1.00 61.44 H new ATOM 0 HB THR A 106 5.512 -0.185 6.366 1.00 30.31 H new ATOM 0 HG1 THR A 106 5.211 1.349 4.511 1.00 33.21 H new ATOM 0 HG21 THR A 106 5.544 2.276 6.609 1.00 42.44 H new ATOM 0 HG22 THR A 106 6.750 1.505 7.665 1.00 42.44 H new ATOM 0 HG23 THR A 106 7.265 2.296 6.157 1.00 42.44 H new ATOM 1648 N ASP A 107 7.063 -0.881 8.252 1.00 71.42 N ATOM 1649 CA ASP A 107 7.109 -1.612 9.524 1.00 25.33 C ATOM 1650 C ASP A 107 6.254 -2.880 9.486 1.00 45.14 C ATOM 1651 O ASP A 107 6.777 -3.991 9.576 1.00 2.02 O ATOM 1652 CB ASP A 107 6.624 -0.718 10.675 1.00 3.14 C ATOM 1653 CG ASP A 107 7.377 0.590 10.785 1.00 64.51 C ATOM 1654 OD1 ASP A 107 8.407 0.642 11.487 1.00 72.33 O ATOM 1655 OD2 ASP A 107 6.928 1.585 10.183 1.00 75.15 O ATOM 0 H ASP A 107 6.538 -0.008 8.292 1.00 71.42 H new ATOM 0 HA ASP A 107 8.148 -1.900 9.687 1.00 25.33 H new ATOM 0 HB2 ASP A 107 5.564 -0.507 10.538 1.00 3.14 H new ATOM 0 HB3 ASP A 107 6.721 -1.264 11.614 1.00 3.14 H new ATOM 1660 N SER A 108 4.941 -2.698 9.357 1.00 34.41 N ATOM 1661 CA SER A 108 3.986 -3.809 9.365 1.00 32.02 C ATOM 1662 C SER A 108 4.194 -4.743 8.172 1.00 1.12 C ATOM 1663 O SER A 108 4.168 -5.976 8.315 1.00 25.11 O ATOM 1664 CB SER A 108 2.546 -3.263 9.372 1.00 72.35 C ATOM 1665 OG SER A 108 1.584 -4.308 9.336 1.00 24.10 O ATOM 0 H SER A 108 4.509 -1.781 9.244 1.00 34.41 H new ATOM 0 HA SER A 108 4.157 -4.391 10.271 1.00 32.02 H new ATOM 0 HB2 SER A 108 2.391 -2.658 10.265 1.00 72.35 H new ATOM 0 HB3 SER A 108 2.402 -2.607 8.513 1.00 72.35 H new ATOM 0 HG SER A 108 0.683 -3.923 9.343 1.00 24.10 H new ATOM 1671 N GLY A 109 4.413 -4.165 7.004 1.00 64.40 N ATOM 1672 CA GLY A 109 4.588 -4.965 5.824 1.00 15.14 C ATOM 1673 C GLY A 109 4.843 -4.134 4.598 1.00 0.04 C ATOM 1674 O GLY A 109 5.481 -3.078 4.673 1.00 70.25 O ATOM 0 H GLY A 109 4.472 -3.157 6.857 1.00 64.40 H new ATOM 0 HA2 GLY A 109 5.422 -5.651 5.974 1.00 15.14 H new ATOM 0 HA3 GLY A 109 3.698 -5.575 5.667 1.00 15.14 H new ATOM 1678 N ILE A 110 4.334 -4.591 3.473 1.00 45.54 N ATOM 1679 CA ILE A 110 4.535 -3.914 2.208 1.00 5.23 C ATOM 1680 C ILE A 110 3.342 -3.018 1.896 1.00 42.24 C ATOM 1681 O ILE A 110 2.195 -3.400 2.126 1.00 75.10 O ATOM 1682 CB ILE A 110 4.731 -4.925 1.055 1.00 34.13 C ATOM 1683 CG1 ILE A 110 5.779 -5.977 1.438 1.00 25.41 C ATOM 1684 CG2 ILE A 110 5.152 -4.198 -0.215 1.00 13.20 C ATOM 1685 CD1 ILE A 110 5.952 -7.074 0.407 1.00 53.42 C ATOM 0 H ILE A 110 3.771 -5.439 3.409 1.00 45.54 H new ATOM 0 HA ILE A 110 5.437 -3.308 2.296 1.00 5.23 H new ATOM 0 HB ILE A 110 3.784 -5.432 0.871 1.00 34.13 H new ATOM 0 HG12 ILE A 110 6.738 -5.482 1.592 1.00 25.41 H new ATOM 0 HG13 ILE A 110 5.497 -6.427 2.390 1.00 25.41 H new ATOM 0 HG21 ILE A 110 5.287 -4.920 -1.020 1.00 13.20 H new ATOM 0 HG22 ILE A 110 4.381 -3.481 -0.496 1.00 13.20 H new ATOM 0 HG23 ILE A 110 6.090 -3.671 -0.039 1.00 13.20 H new ATOM 0 HD11 ILE A 110 6.710 -7.779 0.749 1.00 53.42 H new ATOM 0 HD12 ILE A 110 5.005 -7.597 0.270 1.00 53.42 H new ATOM 0 HD13 ILE A 110 6.266 -6.636 -0.541 1.00 53.42 H new ATOM 1697 N HIS A 111 3.617 -1.826 1.403 1.00 42.32 N ATOM 1698 CA HIS A 111 2.572 -0.867 1.077 1.00 14.42 C ATOM 1699 C HIS A 111 2.607 -0.511 -0.400 1.00 53.15 C ATOM 1700 O HIS A 111 3.664 -0.209 -0.940 1.00 13.01 O ATOM 1701 CB HIS A 111 2.747 0.431 1.889 1.00 50.34 C ATOM 1702 CG HIS A 111 2.629 0.281 3.375 1.00 51.14 C ATOM 1703 ND1 HIS A 111 1.812 1.076 4.149 1.00 41.44 N ATOM 1704 CD2 HIS A 111 3.256 -0.548 4.236 1.00 62.30 C ATOM 1705 CE1 HIS A 111 1.946 0.742 5.414 1.00 20.24 C ATOM 1706 NE2 HIS A 111 2.813 -0.240 5.495 1.00 44.41 N ATOM 0 H HIS A 111 4.563 -1.494 1.217 1.00 42.32 H new ATOM 0 HA HIS A 111 1.618 -1.333 1.324 1.00 14.42 H new ATOM 0 HB2 HIS A 111 3.725 0.853 1.660 1.00 50.34 H new ATOM 0 HB3 HIS A 111 2.002 1.152 1.554 1.00 50.34 H new ATOM 0 HD2 HIS A 111 3.974 -1.313 3.980 1.00 62.30 H new ATOM 0 HE1 HIS A 111 1.430 1.199 6.246 1.00 20.24 H new ATOM 0 HE2 HIS A 111 3.109 -0.699 6.356 1.00 44.41 H new ATOM 1715 N ILE A 112 1.463 -0.573 -1.047 1.00 14.11 N ATOM 1716 CA ILE A 112 1.343 -0.095 -2.414 1.00 53.11 C ATOM 1717 C ILE A 112 0.689 1.275 -2.367 1.00 21.43 C ATOM 1718 O ILE A 112 -0.328 1.455 -1.685 1.00 43.02 O ATOM 1719 CB ILE A 112 0.503 -1.037 -3.309 1.00 61.25 C ATOM 1720 CG1 ILE A 112 1.065 -2.463 -3.273 1.00 13.02 C ATOM 1721 CG2 ILE A 112 0.469 -0.515 -4.741 1.00 34.50 C ATOM 1722 CD1 ILE A 112 0.386 -3.409 -4.243 1.00 2.31 C ATOM 0 H ILE A 112 0.601 -0.949 -0.652 1.00 14.11 H new ATOM 0 HA ILE A 112 2.340 -0.055 -2.854 1.00 53.11 H new ATOM 0 HB ILE A 112 -0.516 -1.061 -2.922 1.00 61.25 H new ATOM 0 HG12 ILE A 112 2.131 -2.430 -3.497 1.00 13.02 H new ATOM 0 HG13 ILE A 112 0.964 -2.859 -2.262 1.00 13.02 H new ATOM 0 HG21 ILE A 112 -0.125 -1.188 -5.359 1.00 34.50 H new ATOM 0 HG22 ILE A 112 0.024 0.480 -4.755 1.00 34.50 H new ATOM 0 HG23 ILE A 112 1.485 -0.463 -5.134 1.00 34.50 H new ATOM 0 HD11 ILE A 112 0.836 -4.398 -4.161 1.00 2.31 H new ATOM 0 HD12 ILE A 112 -0.676 -3.473 -4.006 1.00 2.31 H new ATOM 0 HD13 ILE A 112 0.509 -3.037 -5.260 1.00 2.31 H new ATOM 1734 N ILE A 113 1.270 2.239 -3.052 1.00 24.31 N ATOM 1735 CA ILE A 113 0.780 3.605 -2.987 1.00 33.30 C ATOM 1736 C ILE A 113 0.192 4.066 -4.313 1.00 74.30 C ATOM 1737 O ILE A 113 0.881 4.089 -5.329 1.00 13.11 O ATOM 1738 CB ILE A 113 1.911 4.575 -2.580 1.00 44.42 C ATOM 1739 CG1 ILE A 113 2.594 4.079 -1.302 1.00 33.42 C ATOM 1740 CG2 ILE A 113 1.364 5.988 -2.382 1.00 63.42 C ATOM 1741 CD1 ILE A 113 3.810 4.880 -0.911 1.00 74.54 C ATOM 0 H ILE A 113 2.079 2.105 -3.659 1.00 24.31 H new ATOM 0 HA ILE A 113 -0.008 3.616 -2.234 1.00 33.30 H new ATOM 0 HB ILE A 113 2.649 4.606 -3.382 1.00 44.42 H new ATOM 0 HG12 ILE A 113 1.875 4.105 -0.483 1.00 33.42 H new ATOM 0 HG13 ILE A 113 2.885 3.037 -1.438 1.00 33.42 H new ATOM 0 HG21 ILE A 113 2.176 6.656 -2.096 1.00 63.42 H new ATOM 0 HG22 ILE A 113 0.917 6.339 -3.312 1.00 63.42 H new ATOM 0 HG23 ILE A 113 0.608 5.979 -1.597 1.00 63.42 H new ATOM 0 HD11 ILE A 113 4.238 4.468 0.003 1.00 74.54 H new ATOM 0 HD12 ILE A 113 4.549 4.834 -1.711 1.00 74.54 H new ATOM 0 HD13 ILE A 113 3.523 5.918 -0.742 1.00 74.54 H new ATOM 1753 N LEU A 114 -1.074 4.429 -4.287 1.00 11.35 N ATOM 1754 CA LEU A 114 -1.748 4.968 -5.454 1.00 73.23 C ATOM 1755 C LEU A 114 -2.089 6.424 -5.198 1.00 13.33 C ATOM 1756 O LEU A 114 -2.948 6.725 -4.376 1.00 12.30 O ATOM 1757 CB LEU A 114 -3.025 4.176 -5.763 1.00 31.11 C ATOM 1758 CG LEU A 114 -3.932 4.764 -6.857 1.00 72.44 C ATOM 1759 CD1 LEU A 114 -3.249 4.721 -8.215 1.00 33.14 C ATOM 1760 CD2 LEU A 114 -5.263 4.033 -6.904 1.00 71.32 C ATOM 0 H LEU A 114 -1.665 4.360 -3.459 1.00 11.35 H new ATOM 0 HA LEU A 114 -1.086 4.887 -6.316 1.00 73.23 H new ATOM 0 HB2 LEU A 114 -2.740 3.166 -6.058 1.00 31.11 H new ATOM 0 HB3 LEU A 114 -3.606 4.088 -4.845 1.00 31.11 H new ATOM 0 HG LEU A 114 -4.123 5.808 -6.608 1.00 72.44 H new ATOM 0 HD11 LEU A 114 -3.913 5.143 -8.970 1.00 33.14 H new ATOM 0 HD12 LEU A 114 -2.327 5.301 -8.177 1.00 33.14 H new ATOM 0 HD13 LEU A 114 -3.017 3.688 -8.473 1.00 33.14 H new ATOM 0 HD21 LEU A 114 -5.888 4.466 -7.685 1.00 71.32 H new ATOM 0 HD22 LEU A 114 -5.091 2.978 -7.119 1.00 71.32 H new ATOM 0 HD23 LEU A 114 -5.765 4.130 -5.942 1.00 71.32 H new ATOM 1772 N ARG A 115 -1.412 7.321 -5.875 1.00 52.33 N ATOM 1773 CA ARG A 115 -1.652 8.732 -5.671 1.00 73.23 C ATOM 1774 C ARG A 115 -2.807 9.212 -6.531 1.00 15.10 C ATOM 1775 O ARG A 115 -2.731 9.200 -7.762 1.00 24.12 O ATOM 1776 CB ARG A 115 -0.398 9.553 -5.955 1.00 3.24 C ATOM 1777 CG ARG A 115 -0.597 11.041 -5.732 1.00 53.03 C ATOM 1778 CD ARG A 115 0.682 11.814 -5.952 1.00 70.13 C ATOM 1779 NE ARG A 115 0.462 13.255 -5.855 1.00 51.34 N ATOM 1780 CZ ARG A 115 1.423 14.171 -5.939 1.00 41.30 C ATOM 1781 NH1 ARG A 115 2.693 13.804 -6.053 1.00 55.55 N ATOM 1782 NH2 ARG A 115 1.112 15.460 -5.892 1.00 32.32 N ATOM 0 H ARG A 115 -0.695 7.103 -6.567 1.00 52.33 H new ATOM 0 HA ARG A 115 -1.918 8.874 -4.624 1.00 73.23 H new ATOM 0 HB2 ARG A 115 0.412 9.201 -5.316 1.00 3.24 H new ATOM 0 HB3 ARG A 115 -0.087 9.385 -6.986 1.00 3.24 H new ATOM 0 HG2 ARG A 115 -1.367 11.411 -6.409 1.00 53.03 H new ATOM 0 HG3 ARG A 115 -0.956 11.212 -4.717 1.00 53.03 H new ATOM 0 HD2 ARG A 115 1.424 11.508 -5.215 1.00 70.13 H new ATOM 0 HD3 ARG A 115 1.090 11.573 -6.934 1.00 70.13 H new ATOM 0 HE ARG A 115 -0.494 13.581 -5.713 1.00 51.34 H new ATOM 0 HH11 ARG A 115 2.938 12.814 -6.077 1.00 55.55 H new ATOM 0 HH12 ARG A 115 3.425 14.512 -6.117 1.00 55.55 H new ATOM 0 HH21 ARG A 115 0.138 15.746 -5.792 1.00 32.32 H new ATOM 0 HH22 ARG A 115 1.847 16.165 -5.956 1.00 32.32 H new ATOM 1796 N THR A 116 -3.872 9.621 -5.884 1.00 34.04 N ATOM 1797 CA THR A 116 -5.043 10.096 -6.573 1.00 11.15 C ATOM 1798 C THR A 116 -4.888 11.572 -6.932 1.00 24.42 C ATOM 1799 O THR A 116 -5.180 11.979 -8.048 1.00 64.25 O ATOM 1800 CB THR A 116 -6.299 9.913 -5.703 1.00 73.44 C ATOM 1801 OG1 THR A 116 -6.284 8.607 -5.111 1.00 50.22 O ATOM 1802 CG2 THR A 116 -7.560 10.068 -6.539 1.00 44.21 C ATOM 0 H THR A 116 -3.949 9.633 -4.867 1.00 34.04 H new ATOM 0 HA THR A 116 -5.155 9.512 -7.486 1.00 11.15 H new ATOM 0 HB THR A 116 -6.296 10.677 -4.925 1.00 73.44 H new ATOM 0 HG1 THR A 116 -7.083 8.490 -4.555 1.00 50.22 H new ATOM 0 HG21 THR A 116 -8.436 9.935 -5.904 1.00 44.21 H new ATOM 0 HG22 THR A 116 -7.582 11.063 -6.983 1.00 44.21 H new ATOM 0 HG23 THR A 116 -7.567 9.317 -7.329 1.00 44.21 H new ATOM 1810 N GLU A 117 -4.407 12.358 -5.984 1.00 50.11 N ATOM 1811 CA GLU A 117 -4.243 13.789 -6.184 1.00 74.42 C ATOM 1812 C GLU A 117 -2.771 14.141 -6.333 1.00 55.42 C ATOM 1813 O GLU A 117 -2.035 14.037 -5.337 1.00 0.00 O ATOM 1814 CB GLU A 117 -4.849 14.567 -5.013 1.00 1.12 C ATOM 1815 CG GLU A 117 -6.339 14.330 -4.803 1.00 1.13 C ATOM 1816 CD GLU A 117 -7.192 14.873 -5.924 1.00 24.10 C ATOM 1817 OE1 GLU A 117 -7.353 16.105 -6.008 1.00 64.11 O ATOM 1818 OE2 GLU A 117 -7.737 14.069 -6.705 1.00 22.32 O ATOM 1819 OXT GLU A 117 -2.357 14.537 -7.445 1.00 0.00 O ATOM 0 H GLU A 117 -4.121 12.027 -5.062 1.00 50.11 H new ATOM 0 HA GLU A 117 -4.766 14.067 -7.099 1.00 74.42 H new ATOM 0 HB2 GLU A 117 -4.318 14.297 -4.100 1.00 1.12 H new ATOM 0 HB3 GLU A 117 -4.682 15.632 -5.175 1.00 1.12 H new ATOM 0 HG2 GLU A 117 -6.519 13.260 -4.704 1.00 1.13 H new ATOM 0 HG3 GLU A 117 -6.645 14.793 -3.865 1.00 1.13 H new