USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 867 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 14:sc= 0.967 USER MOD Set 1.2: A 111 HIS : no HE2:sc= -3.47! C(o=-2.5!,f=-2.8!) USER MOD Set 2.1: A 67 CYS SG : rot 82:sc= -2.05! USER MOD Set 2.2: A 69 SER OG : rot -155:sc= 1.13 USER MOD Single : A 11 CYS SG : rot 29:sc= -2.43! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HE2:sc= -2.31 X(o=-2.3,f=-2.3) USER MOD Single : A 17 LYS NZ :NH3+ -150:sc= 1.25 (180deg=0.642) USER MOD Single : A 18 HIS : no HD1:sc= -2.67! K(o=-2.7!,f=-3.6) USER MOD Single : A 19 SER OG : rot 180:sc= 0.0209 USER MOD Single : A 20 GLN : amide:sc= -1.42 K(o=-1.4,f=-6.3!) USER MOD Single : A 21 SER OG : rot -12:sc= 0.597 USER MOD Single : A 25 SER OG : rot 180:sc= -1.46! USER MOD Single : A 26 SER OG : rot -60:sc= 0.481 USER MOD Single : A 29 GLN : amide:sc= -4.19! C(o=-4.2!,f=-8.9!) USER MOD Single : A 31 LYS NZ :NH3+ -166:sc= -0.0181 (180deg=-0.269) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -154:sc= 1.09 USER MOD Single : A 36 LYS NZ :NH3+ 158:sc= -0.908! (180deg=-1.66!) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 46 TYR OH : rot 105:sc= 1.15 USER MOD Single : A 48 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.14) USER MOD Single : A 49 LYS NZ :NH3+ 137:sc= 0.355 (180deg=-0.385) USER MOD Single : A 51 LYS NZ :NH3+ 160:sc= -0.795 (180deg=-1.71!) USER MOD Single : A 52 SER OG : rot -120:sc= 1.32 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -95:sc= 1.27 USER MOD Single : A 63 GLN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 65 SER OG : rot 124:sc= -0.914! USER MOD Single : A 68 SER OG : rot 180:sc= -0.0933 USER MOD Single : A 71 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.036) USER MOD Single : A 80 SER OG : rot 180:sc= 0.0815 USER MOD Single : A 83 GLN :FLIP amide:sc= -0.0124 F(o=-0.81,f=-0.012) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.136 K(o=-0.14,f=-0.76) USER MOD Single : A 86 LYS NZ :NH3+ -167:sc= -0.0267 (180deg=-0.241) USER MOD Single : A 97 THR OG1 : rot -57:sc= 1.19 USER MOD Single : A 100 MET CE :methyl 171:sc= -3.48! (180deg=-4.08!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot -170:sc= 0.0621 USER MOD Single : A 116 THR OG1 : rot 133:sc= 0.973 USER MOD ----------------------------------------------------------------- ATOM 85 N ALA A 7 13.675 9.506 11.159 1.00 74.51 N ATOM 86 CA ALA A 7 13.375 8.240 11.804 1.00 30.11 C ATOM 87 C ALA A 7 11.876 7.982 11.797 1.00 41.01 C ATOM 88 O ALA A 7 11.430 6.841 11.902 1.00 0.42 O ATOM 89 CB ALA A 7 13.911 8.230 13.227 1.00 55.24 C ATOM 0 HA ALA A 7 13.864 7.442 11.245 1.00 30.11 H new ATOM 0 HB1 ALA A 7 13.678 7.274 13.697 1.00 55.24 H new ATOM 0 HB2 ALA A 7 14.992 8.372 13.210 1.00 55.24 H new ATOM 0 HB3 ALA A 7 13.448 9.036 13.796 1.00 55.24 H new ATOM 95 N ARG A 8 11.104 9.053 11.674 1.00 3.22 N ATOM 96 CA ARG A 8 9.652 8.962 11.648 1.00 40.14 C ATOM 97 C ARG A 8 9.089 9.744 10.473 1.00 34.51 C ATOM 98 O ARG A 8 9.377 10.934 10.318 1.00 3.15 O ATOM 99 CB ARG A 8 9.058 9.518 12.938 1.00 14.40 C ATOM 100 CG ARG A 8 9.564 8.858 14.206 1.00 54.13 C ATOM 101 CD ARG A 8 9.011 9.560 15.430 1.00 34.13 C ATOM 102 NE ARG A 8 9.310 10.993 15.403 1.00 50.01 N ATOM 103 CZ ARG A 8 8.398 11.962 15.563 1.00 34.11 C ATOM 104 NH1 ARG A 8 7.121 11.653 15.779 1.00 61.50 N ATOM 105 NH2 ARG A 8 8.769 13.236 15.511 1.00 51.53 N ATOM 0 H ARG A 8 11.464 10.004 11.590 1.00 3.22 H new ATOM 0 HA ARG A 8 9.386 7.910 11.547 1.00 40.14 H new ATOM 0 HB2 ARG A 8 9.273 10.585 12.990 1.00 14.40 H new ATOM 0 HB3 ARG A 8 7.974 9.412 12.898 1.00 14.40 H new ATOM 0 HG2 ARG A 8 9.270 7.808 14.218 1.00 54.13 H new ATOM 0 HG3 ARG A 8 10.653 8.884 14.226 1.00 54.13 H new ATOM 0 HD2 ARG A 8 7.932 9.413 15.480 1.00 34.13 H new ATOM 0 HD3 ARG A 8 9.436 9.115 16.330 1.00 34.13 H new ATOM 0 HE ARG A 8 10.279 11.273 15.252 1.00 50.01 H new ATOM 0 HH11 ARG A 8 6.833 10.675 15.823 1.00 61.50 H new ATOM 0 HH12 ARG A 8 6.430 12.394 15.900 1.00 61.50 H new ATOM 0 HH21 ARG A 8 9.747 13.476 15.349 1.00 51.53 H new ATOM 0 HH22 ARG A 8 8.076 13.974 15.633 1.00 51.53 H new ATOM 119 N VAL A 9 8.292 9.088 9.652 1.00 53.32 N ATOM 120 CA VAL A 9 7.655 9.742 8.514 1.00 44.12 C ATOM 121 C VAL A 9 6.192 9.352 8.449 1.00 52.11 C ATOM 122 O VAL A 9 5.762 8.436 9.147 1.00 72.55 O ATOM 123 CB VAL A 9 8.329 9.379 7.160 1.00 22.41 C ATOM 124 CG1 VAL A 9 9.815 9.704 7.176 1.00 5.32 C ATOM 125 CG2 VAL A 9 8.091 7.919 6.798 1.00 42.35 C ATOM 0 H VAL A 9 8.066 8.098 9.749 1.00 53.32 H new ATOM 0 HA VAL A 9 7.764 10.816 8.667 1.00 44.12 H new ATOM 0 HB VAL A 9 7.864 9.993 6.388 1.00 22.41 H new ATOM 0 HG11 VAL A 9 10.256 9.438 6.215 1.00 5.32 H new ATOM 0 HG12 VAL A 9 9.952 10.770 7.356 1.00 5.32 H new ATOM 0 HG13 VAL A 9 10.303 9.137 7.968 1.00 5.32 H new ATOM 0 HG21 VAL A 9 8.574 7.697 5.847 1.00 42.35 H new ATOM 0 HG22 VAL A 9 8.508 7.279 7.575 1.00 42.35 H new ATOM 0 HG23 VAL A 9 7.020 7.735 6.712 1.00 42.35 H new ATOM 135 N ARG A 10 5.431 10.042 7.623 1.00 64.43 N ATOM 136 CA ARG A 10 4.031 9.720 7.449 1.00 74.22 C ATOM 137 C ARG A 10 3.814 9.070 6.099 1.00 52.15 C ATOM 138 O ARG A 10 4.272 9.581 5.069 1.00 62.10 O ATOM 139 CB ARG A 10 3.149 10.960 7.574 1.00 43.55 C ATOM 140 CG ARG A 10 1.671 10.635 7.475 1.00 2.51 C ATOM 141 CD ARG A 10 0.799 11.861 7.607 1.00 52.24 C ATOM 142 NE ARG A 10 -0.609 11.492 7.705 1.00 12.22 N ATOM 143 CZ ARG A 10 -1.619 12.354 7.770 1.00 72.32 C ATOM 144 NH1 ARG A 10 -1.396 13.660 7.657 1.00 5.31 N ATOM 145 NH2 ARG A 10 -2.858 11.907 7.933 1.00 13.33 N ATOM 0 H ARG A 10 5.759 10.829 7.063 1.00 64.43 H new ATOM 0 HA ARG A 10 3.748 9.026 8.240 1.00 74.22 H new ATOM 0 HB2 ARG A 10 3.347 11.448 8.528 1.00 43.55 H new ATOM 0 HB3 ARG A 10 3.414 11.671 6.791 1.00 43.55 H new ATOM 0 HG2 ARG A 10 1.472 10.153 6.518 1.00 2.51 H new ATOM 0 HG3 ARG A 10 1.407 9.920 8.254 1.00 2.51 H new ATOM 0 HD2 ARG A 10 1.093 12.427 8.491 1.00 52.24 H new ATOM 0 HD3 ARG A 10 0.949 12.513 6.746 1.00 52.24 H new ATOM 0 HE ARG A 10 -0.836 10.498 7.725 1.00 12.22 H new ATOM 0 HH11 ARG A 10 -0.446 14.005 7.520 1.00 5.31 H new ATOM 0 HH12 ARG A 10 -2.175 14.317 7.708 1.00 5.31 H new ATOM 0 HH21 ARG A 10 -3.033 10.905 8.008 1.00 13.33 H new ATOM 0 HH22 ARG A 10 -3.635 12.566 7.983 1.00 13.33 H new ATOM 159 N CYS A 11 3.128 7.958 6.090 1.00 42.52 N ATOM 160 CA CYS A 11 2.883 7.252 4.863 1.00 33.34 C ATOM 161 C CYS A 11 1.497 6.637 4.857 1.00 71.15 C ATOM 162 O CYS A 11 0.950 6.283 5.906 1.00 11.50 O ATOM 163 CB CYS A 11 3.946 6.167 4.658 1.00 53.22 C ATOM 164 SG CYS A 11 3.863 5.340 3.059 1.00 4.40 S ATOM 0 H CYS A 11 2.729 7.522 6.921 1.00 42.52 H new ATOM 0 HA CYS A 11 2.940 7.966 4.041 1.00 33.34 H new ATOM 0 HB2 CYS A 11 4.933 6.616 4.771 1.00 53.22 H new ATOM 0 HB3 CYS A 11 3.843 5.421 5.446 1.00 53.22 H new ATOM 0 HG CYS A 11 3.375 6.157 2.173 1.00 4.40 H new ATOM 170 N SER A 12 0.927 6.542 3.678 1.00 51.14 N ATOM 171 CA SER A 12 -0.353 5.915 3.487 1.00 74.32 C ATOM 172 C SER A 12 -0.155 4.680 2.618 1.00 4.21 C ATOM 173 O SER A 12 0.648 4.705 1.675 1.00 70.25 O ATOM 174 CB SER A 12 -1.318 6.899 2.831 1.00 2.14 C ATOM 175 OG SER A 12 -1.366 8.116 3.564 1.00 63.04 O ATOM 0 H SER A 12 1.345 6.902 2.820 1.00 51.14 H new ATOM 0 HA SER A 12 -0.781 5.617 4.444 1.00 74.32 H new ATOM 0 HB2 SER A 12 -1.003 7.097 1.806 1.00 2.14 H new ATOM 0 HB3 SER A 12 -2.314 6.460 2.779 1.00 2.14 H new ATOM 0 HG SER A 12 -1.988 8.736 3.129 1.00 63.04 H new ATOM 181 N HIS A 13 -0.857 3.601 2.925 1.00 21.42 N ATOM 182 CA HIS A 13 -0.653 2.370 2.186 1.00 62.04 C ATOM 183 C HIS A 13 -1.950 1.694 1.774 1.00 52.30 C ATOM 184 O HIS A 13 -2.968 1.789 2.459 1.00 4.11 O ATOM 185 CB HIS A 13 0.253 1.380 2.970 1.00 45.04 C ATOM 186 CG HIS A 13 -0.346 0.771 4.236 1.00 70.40 C ATOM 187 ND1 HIS A 13 0.281 -0.238 4.948 1.00 12.52 N ATOM 188 CD2 HIS A 13 -1.501 1.025 4.909 1.00 61.03 C ATOM 189 CE1 HIS A 13 -0.460 -0.571 5.989 1.00 14.22 C ATOM 190 NE2 HIS A 13 -1.540 0.175 5.988 1.00 61.22 N ATOM 0 H HIS A 13 -1.558 3.553 3.664 1.00 21.42 H new ATOM 0 HA HIS A 13 -0.144 2.658 1.266 1.00 62.04 H new ATOM 0 HB2 HIS A 13 0.533 0.568 2.299 1.00 45.04 H new ATOM 0 HB3 HIS A 13 1.172 1.899 3.242 1.00 45.04 H new ATOM 0 HD1 HIS A 13 1.178 -0.659 4.705 1.00 12.52 H new ATOM 0 HD2 HIS A 13 -2.248 1.758 4.644 1.00 61.03 H new ATOM 0 HE1 HIS A 13 -0.218 -1.330 6.719 1.00 14.22 H new ATOM 199 N LEU A 14 -1.888 1.022 0.650 1.00 23.53 N ATOM 200 CA LEU A 14 -2.988 0.223 0.147 1.00 75.32 C ATOM 201 C LEU A 14 -2.604 -1.237 0.295 1.00 71.53 C ATOM 202 O LEU A 14 -1.411 -1.565 0.261 1.00 31.21 O ATOM 203 CB LEU A 14 -3.243 0.541 -1.335 1.00 25.50 C ATOM 204 CG LEU A 14 -4.400 -0.218 -2.000 1.00 34.35 C ATOM 205 CD1 LEU A 14 -5.733 0.272 -1.481 1.00 62.14 C ATOM 206 CD2 LEU A 14 -4.336 -0.079 -3.509 1.00 13.30 C ATOM 0 H LEU A 14 -1.064 1.012 0.049 1.00 23.53 H new ATOM 0 HA LEU A 14 -3.898 0.443 0.706 1.00 75.32 H new ATOM 0 HB2 LEU A 14 -3.436 1.610 -1.428 1.00 25.50 H new ATOM 0 HB3 LEU A 14 -2.330 0.332 -1.893 1.00 25.50 H new ATOM 0 HG LEU A 14 -4.301 -1.273 -1.747 1.00 34.35 H new ATOM 0 HD11 LEU A 14 -6.538 -0.280 -1.966 1.00 62.14 H new ATOM 0 HD12 LEU A 14 -5.784 0.115 -0.404 1.00 62.14 H new ATOM 0 HD13 LEU A 14 -5.840 1.335 -1.698 1.00 62.14 H new ATOM 0 HD21 LEU A 14 -5.165 -0.624 -3.960 1.00 13.30 H new ATOM 0 HD22 LEU A 14 -4.404 0.974 -3.781 1.00 13.30 H new ATOM 0 HD23 LEU A 14 -3.393 -0.487 -3.872 1.00 13.30 H new ATOM 218 N LEU A 15 -3.572 -2.100 0.503 1.00 3.12 N ATOM 219 CA LEU A 15 -3.284 -3.516 0.626 1.00 25.33 C ATOM 220 C LEU A 15 -4.317 -4.355 -0.065 1.00 35.41 C ATOM 221 O LEU A 15 -5.481 -4.378 0.331 1.00 33.43 O ATOM 222 CB LEU A 15 -3.171 -3.951 2.088 1.00 15.24 C ATOM 223 CG LEU A 15 -3.042 -5.474 2.316 1.00 31.50 C ATOM 224 CD1 LEU A 15 -1.808 -6.037 1.620 1.00 73.32 C ATOM 225 CD2 LEU A 15 -3.010 -5.795 3.799 1.00 11.23 C ATOM 0 H LEU A 15 -4.558 -1.853 0.590 1.00 3.12 H new ATOM 0 HA LEU A 15 -2.321 -3.673 0.140 1.00 25.33 H new ATOM 0 HB2 LEU A 15 -2.304 -3.459 2.530 1.00 15.24 H new ATOM 0 HB3 LEU A 15 -4.049 -3.593 2.625 1.00 15.24 H new ATOM 0 HG LEU A 15 -3.920 -5.949 1.878 1.00 31.50 H new ATOM 0 HD11 LEU A 15 -1.747 -7.110 1.800 1.00 73.32 H new ATOM 0 HD12 LEU A 15 -1.879 -5.852 0.548 1.00 73.32 H new ATOM 0 HD13 LEU A 15 -0.915 -5.551 2.014 1.00 73.32 H new ATOM 0 HD21 LEU A 15 -2.919 -6.872 3.936 1.00 11.23 H new ATOM 0 HD22 LEU A 15 -2.157 -5.297 4.261 1.00 11.23 H new ATOM 0 HD23 LEU A 15 -3.931 -5.446 4.267 1.00 11.23 H new ATOM 237 N VAL A 16 -3.890 -5.032 -1.094 1.00 22.01 N ATOM 238 CA VAL A 16 -4.729 -5.970 -1.775 1.00 23.02 C ATOM 239 C VAL A 16 -4.223 -7.381 -1.469 1.00 62.43 C ATOM 240 O VAL A 16 -3.103 -7.756 -1.847 1.00 45.45 O ATOM 241 CB VAL A 16 -4.779 -5.703 -3.309 1.00 22.43 C ATOM 242 CG1 VAL A 16 -3.390 -5.728 -3.929 1.00 44.11 C ATOM 243 CG2 VAL A 16 -5.700 -6.697 -4.001 1.00 25.12 C ATOM 0 H VAL A 16 -2.950 -4.947 -1.482 1.00 22.01 H new ATOM 0 HA VAL A 16 -5.753 -5.860 -1.418 1.00 23.02 H new ATOM 0 HB VAL A 16 -5.184 -4.701 -3.455 1.00 22.43 H new ATOM 0 HG11 VAL A 16 -3.466 -5.538 -5.000 1.00 44.11 H new ATOM 0 HG12 VAL A 16 -2.771 -4.959 -3.467 1.00 44.11 H new ATOM 0 HG13 VAL A 16 -2.936 -6.705 -3.765 1.00 44.11 H new ATOM 0 HG21 VAL A 16 -5.719 -6.491 -5.071 1.00 25.12 H new ATOM 0 HG22 VAL A 16 -5.334 -7.710 -3.833 1.00 25.12 H new ATOM 0 HG23 VAL A 16 -6.707 -6.603 -3.595 1.00 25.12 H new ATOM 253 N LYS A 17 -5.014 -8.135 -0.736 1.00 31.12 N ATOM 254 CA LYS A 17 -4.615 -9.471 -0.346 1.00 2.30 C ATOM 255 C LYS A 17 -4.826 -10.454 -1.480 1.00 21.24 C ATOM 256 O LYS A 17 -5.388 -10.108 -2.526 1.00 24.42 O ATOM 257 CB LYS A 17 -5.369 -9.931 0.901 1.00 12.33 C ATOM 258 CG LYS A 17 -5.096 -9.105 2.144 1.00 4.24 C ATOM 259 CD LYS A 17 -5.823 -9.676 3.354 1.00 34.50 C ATOM 260 CE LYS A 17 -5.694 -8.767 4.563 1.00 24.22 C ATOM 261 NZ LYS A 17 -6.318 -9.358 5.774 1.00 53.13 N ATOM 0 H LYS A 17 -5.933 -7.848 -0.399 1.00 31.12 H new ATOM 0 HA LYS A 17 -3.551 -9.440 -0.110 1.00 2.30 H new ATOM 0 HB2 LYS A 17 -6.439 -9.907 0.692 1.00 12.33 H new ATOM 0 HB3 LYS A 17 -5.107 -10.969 1.106 1.00 12.33 H new ATOM 0 HG2 LYS A 17 -4.024 -9.080 2.339 1.00 4.24 H new ATOM 0 HG3 LYS A 17 -5.414 -8.076 1.977 1.00 4.24 H new ATOM 0 HD2 LYS A 17 -6.877 -9.815 3.114 1.00 34.50 H new ATOM 0 HD3 LYS A 17 -5.418 -10.659 3.592 1.00 34.50 H new ATOM 0 HE2 LYS A 17 -4.640 -8.571 4.758 1.00 24.22 H new ATOM 0 HE3 LYS A 17 -6.162 -7.807 4.346 1.00 24.22 H new ATOM 0 HZ1 LYS A 17 -6.667 -8.597 6.391 1.00 53.13 H new ATOM 0 HZ2 LYS A 17 -7.112 -9.968 5.493 1.00 53.13 H new ATOM 0 HZ3 LYS A 17 -5.612 -9.923 6.288 1.00 53.13 H new ATOM 275 N HIS A 18 -4.384 -11.674 -1.275 1.00 71.43 N ATOM 276 CA HIS A 18 -4.493 -12.703 -2.285 1.00 54.10 C ATOM 277 C HIS A 18 -4.672 -14.065 -1.645 1.00 62.43 C ATOM 278 O HIS A 18 -4.554 -14.206 -0.429 1.00 72.40 O ATOM 279 CB HIS A 18 -3.272 -12.687 -3.240 1.00 72.53 C ATOM 280 CG HIS A 18 -1.922 -12.830 -2.571 1.00 53.24 C ATOM 281 ND1 HIS A 18 -0.965 -13.726 -2.990 1.00 33.54 N ATOM 282 CD2 HIS A 18 -1.365 -12.151 -1.542 1.00 34.02 C ATOM 283 CE1 HIS A 18 0.120 -13.592 -2.248 1.00 24.34 C ATOM 284 NE2 HIS A 18 -0.095 -12.642 -1.360 1.00 30.24 N ATOM 0 H HIS A 18 -3.941 -11.980 -0.409 1.00 71.43 H new ATOM 0 HA HIS A 18 -5.378 -12.493 -2.885 1.00 54.10 H new ATOM 0 HB2 HIS A 18 -3.387 -13.494 -3.963 1.00 72.53 H new ATOM 0 HB3 HIS A 18 -3.283 -11.753 -3.801 1.00 72.53 H new ATOM 0 HD2 HIS A 18 -1.834 -11.365 -0.968 1.00 34.02 H new ATOM 0 HE1 HIS A 18 1.030 -14.165 -2.352 1.00 24.34 H new ATOM 0 HE2 HIS A 18 0.571 -12.324 -0.655 1.00 30.24 H new ATOM 293 N SER A 19 -4.964 -15.050 -2.473 1.00 12.34 N ATOM 294 CA SER A 19 -5.189 -16.416 -2.035 1.00 24.55 C ATOM 295 C SER A 19 -4.028 -16.962 -1.197 1.00 0.13 C ATOM 296 O SER A 19 -4.242 -17.551 -0.133 1.00 14.32 O ATOM 297 CB SER A 19 -5.429 -17.295 -3.257 1.00 45.22 C ATOM 298 OG SER A 19 -4.573 -16.904 -4.332 1.00 41.33 O ATOM 0 H SER A 19 -5.053 -14.923 -3.481 1.00 12.34 H new ATOM 0 HA SER A 19 -6.066 -16.425 -1.388 1.00 24.55 H new ATOM 0 HB2 SER A 19 -5.248 -18.339 -3.002 1.00 45.22 H new ATOM 0 HB3 SER A 19 -6.471 -17.219 -3.568 1.00 45.22 H new ATOM 0 HG SER A 19 -4.739 -17.479 -5.108 1.00 41.33 H new ATOM 304 N GLN A 20 -2.810 -16.764 -1.673 1.00 21.03 N ATOM 305 CA GLN A 20 -1.638 -17.253 -0.966 1.00 54.41 C ATOM 306 C GLN A 20 -1.225 -16.301 0.150 1.00 64.22 C ATOM 307 O GLN A 20 -0.378 -15.431 -0.033 1.00 52.55 O ATOM 308 CB GLN A 20 -0.476 -17.489 -1.932 1.00 71.05 C ATOM 309 CG GLN A 20 -0.774 -18.516 -3.018 1.00 5.54 C ATOM 310 CD GLN A 20 -0.967 -19.930 -2.479 1.00 44.35 C ATOM 311 OE1 GLN A 20 -1.420 -20.135 -1.347 1.00 14.22 O ATOM 312 NE2 GLN A 20 -0.629 -20.908 -3.287 1.00 62.00 N ATOM 0 H GLN A 20 -2.607 -16.270 -2.542 1.00 21.03 H new ATOM 0 HA GLN A 20 -1.903 -18.207 -0.510 1.00 54.41 H new ATOM 0 HB2 GLN A 20 -0.211 -16.543 -2.404 1.00 71.05 H new ATOM 0 HB3 GLN A 20 0.395 -17.817 -1.364 1.00 71.05 H new ATOM 0 HG2 GLN A 20 -1.673 -18.214 -3.556 1.00 5.54 H new ATOM 0 HG3 GLN A 20 0.043 -18.519 -3.739 1.00 5.54 H new ATOM 0 HE21 GLN A 20 -0.259 -20.699 -4.214 1.00 62.00 H new ATOM 0 HE22 GLN A 20 -0.737 -21.877 -2.988 1.00 62.00 H new ATOM 321 N SER A 21 -1.865 -16.445 1.284 1.00 3.11 N ATOM 322 CA SER A 21 -1.561 -15.647 2.455 1.00 71.23 C ATOM 323 C SER A 21 -1.897 -16.439 3.707 1.00 25.30 C ATOM 324 O SER A 21 -2.644 -17.416 3.638 1.00 52.30 O ATOM 325 CB SER A 21 -2.342 -14.328 2.420 1.00 2.11 C ATOM 326 OG SER A 21 -1.969 -13.556 1.291 1.00 22.25 O ATOM 0 H SER A 21 -2.616 -17.121 1.426 1.00 3.11 H new ATOM 0 HA SER A 21 -0.498 -15.408 2.463 1.00 71.23 H new ATOM 0 HB2 SER A 21 -3.412 -14.534 2.389 1.00 2.11 H new ATOM 0 HB3 SER A 21 -2.152 -13.763 3.332 1.00 2.11 H new ATOM 0 HG SER A 21 -1.162 -13.937 0.886 1.00 22.25 H new ATOM 332 N ARG A 22 -1.349 -16.029 4.847 1.00 41.44 N ATOM 333 CA ARG A 22 -1.584 -16.746 6.100 1.00 33.22 C ATOM 334 C ARG A 22 -3.043 -16.626 6.550 1.00 71.44 C ATOM 335 O ARG A 22 -3.482 -17.328 7.453 1.00 64.03 O ATOM 336 CB ARG A 22 -0.626 -16.267 7.213 1.00 5.12 C ATOM 337 CG ARG A 22 -1.089 -15.040 8.008 1.00 33.40 C ATOM 338 CD ARG A 22 -1.027 -13.752 7.201 1.00 22.25 C ATOM 339 NE ARG A 22 -1.356 -12.588 8.032 1.00 61.04 N ATOM 340 CZ ARG A 22 -1.868 -11.442 7.577 1.00 23.40 C ATOM 341 NH1 ARG A 22 -2.098 -11.277 6.280 1.00 55.30 N ATOM 342 NH2 ARG A 22 -2.138 -10.455 8.425 1.00 74.11 N ATOM 0 H ARG A 22 -0.744 -15.212 4.931 1.00 41.44 H new ATOM 0 HA ARG A 22 -1.378 -17.800 5.911 1.00 33.22 H new ATOM 0 HB2 ARG A 22 -0.468 -17.090 7.910 1.00 5.12 H new ATOM 0 HB3 ARG A 22 0.341 -16.041 6.762 1.00 5.12 H new ATOM 0 HG2 ARG A 22 -2.112 -15.200 8.349 1.00 33.40 H new ATOM 0 HG3 ARG A 22 -0.469 -14.935 8.898 1.00 33.40 H new ATOM 0 HD2 ARG A 22 -0.029 -13.631 6.780 1.00 22.25 H new ATOM 0 HD3 ARG A 22 -1.721 -13.811 6.363 1.00 22.25 H new ATOM 0 HE ARG A 22 -1.180 -12.660 9.034 1.00 61.04 H new ATOM 0 HH11 ARG A 22 -1.883 -12.028 5.624 1.00 55.30 H new ATOM 0 HH12 ARG A 22 -2.489 -10.399 5.939 1.00 55.30 H new ATOM 0 HH21 ARG A 22 -1.954 -10.574 9.421 1.00 74.11 H new ATOM 0 HH22 ARG A 22 -2.529 -9.579 8.080 1.00 74.11 H new ATOM 356 N ARG A 23 -3.778 -15.733 5.909 1.00 64.24 N ATOM 357 CA ARG A 23 -5.178 -15.533 6.213 1.00 41.51 C ATOM 358 C ARG A 23 -5.861 -14.814 5.049 1.00 41.10 C ATOM 359 O ARG A 23 -5.852 -13.582 4.975 1.00 71.41 O ATOM 360 CB ARG A 23 -5.336 -14.741 7.515 1.00 53.00 C ATOM 361 CG ARG A 23 -6.740 -14.771 8.087 1.00 34.43 C ATOM 362 CD ARG A 23 -6.792 -14.106 9.448 1.00 13.43 C ATOM 363 NE ARG A 23 -8.120 -14.192 10.052 1.00 4.03 N ATOM 364 CZ ARG A 23 -8.422 -13.731 11.264 1.00 65.25 C ATOM 365 NH1 ARG A 23 -7.490 -13.137 12.004 1.00 72.42 N ATOM 366 NH2 ARG A 23 -9.656 -13.864 11.740 1.00 61.11 N ATOM 0 H ARG A 23 -3.420 -15.131 5.168 1.00 64.24 H new ATOM 0 HA ARG A 23 -5.656 -16.503 6.352 1.00 41.51 H new ATOM 0 HB2 ARG A 23 -4.644 -15.139 8.257 1.00 53.00 H new ATOM 0 HB3 ARG A 23 -5.050 -13.705 7.335 1.00 53.00 H new ATOM 0 HG2 ARG A 23 -7.424 -14.265 7.406 1.00 34.43 H new ATOM 0 HG3 ARG A 23 -7.079 -15.803 8.171 1.00 34.43 H new ATOM 0 HD2 ARG A 23 -6.063 -14.575 10.108 1.00 13.43 H new ATOM 0 HD3 ARG A 23 -6.506 -13.059 9.350 1.00 13.43 H new ATOM 0 HE ARG A 23 -8.863 -14.633 9.510 1.00 4.03 H new ATOM 0 HH11 ARG A 23 -6.542 -13.034 11.643 1.00 72.42 H new ATOM 0 HH12 ARG A 23 -7.724 -12.785 12.932 1.00 72.42 H new ATOM 0 HH21 ARG A 23 -10.374 -14.320 11.176 1.00 61.11 H new ATOM 0 HH22 ARG A 23 -9.885 -13.510 12.669 1.00 61.11 H new ATOM 380 N PRO A 24 -6.418 -15.583 4.094 1.00 44.12 N ATOM 381 CA PRO A 24 -7.096 -15.038 2.911 1.00 63.23 C ATOM 382 C PRO A 24 -8.497 -14.510 3.233 1.00 40.44 C ATOM 383 O PRO A 24 -9.500 -14.983 2.680 1.00 24.12 O ATOM 384 CB PRO A 24 -7.188 -16.249 1.953 1.00 24.45 C ATOM 385 CG PRO A 24 -6.411 -17.348 2.612 1.00 14.54 C ATOM 386 CD PRO A 24 -6.418 -17.046 4.077 1.00 72.03 C ATOM 0 HA PRO A 24 -6.557 -14.187 2.494 1.00 63.23 H new ATOM 0 HB2 PRO A 24 -8.225 -16.544 1.794 1.00 24.45 H new ATOM 0 HB3 PRO A 24 -6.772 -16.007 0.975 1.00 24.45 H new ATOM 0 HG2 PRO A 24 -6.865 -18.319 2.413 1.00 14.54 H new ATOM 0 HG3 PRO A 24 -5.392 -17.388 2.228 1.00 14.54 H new ATOM 0 HD2 PRO A 24 -7.297 -17.458 4.573 1.00 72.03 H new ATOM 0 HD3 PRO A 24 -5.544 -17.459 4.581 1.00 72.03 H new ATOM 394 N SER A 25 -8.558 -13.539 4.122 1.00 62.15 N ATOM 395 CA SER A 25 -9.810 -12.934 4.511 1.00 45.13 C ATOM 396 C SER A 25 -9.622 -11.456 4.821 1.00 1.21 C ATOM 397 O SER A 25 -8.516 -11.013 5.160 1.00 20.13 O ATOM 398 CB SER A 25 -10.391 -13.660 5.728 1.00 72.32 C ATOM 399 OG SER A 25 -9.424 -13.789 6.757 1.00 51.15 O ATOM 0 H SER A 25 -7.741 -13.150 4.593 1.00 62.15 H new ATOM 0 HA SER A 25 -10.508 -13.023 3.679 1.00 45.13 H new ATOM 0 HB2 SER A 25 -11.255 -13.112 6.104 1.00 72.32 H new ATOM 0 HB3 SER A 25 -10.744 -14.648 5.431 1.00 72.32 H new ATOM 0 HG SER A 25 -9.821 -14.254 7.523 1.00 51.15 H new ATOM 405 N SER A 26 -10.685 -10.699 4.678 1.00 21.02 N ATOM 406 CA SER A 26 -10.679 -9.292 4.988 1.00 23.51 C ATOM 407 C SER A 26 -12.098 -8.839 5.254 1.00 22.01 C ATOM 408 O SER A 26 -13.032 -9.644 5.184 1.00 61.12 O ATOM 409 CB SER A 26 -10.080 -8.495 3.826 1.00 22.55 C ATOM 410 OG SER A 26 -10.865 -8.621 2.647 1.00 63.43 O ATOM 0 H SER A 26 -11.583 -11.046 4.341 1.00 21.02 H new ATOM 0 HA SER A 26 -10.068 -9.118 5.874 1.00 23.51 H new ATOM 0 HB2 SER A 26 -10.006 -7.444 4.104 1.00 22.55 H new ATOM 0 HB3 SER A 26 -9.067 -8.844 3.628 1.00 22.55 H new ATOM 0 HG SER A 26 -10.910 -9.564 2.383 1.00 63.43 H new ATOM 416 N TRP A 27 -12.275 -7.565 5.558 1.00 15.41 N ATOM 417 CA TRP A 27 -13.605 -7.024 5.776 1.00 51.10 C ATOM 418 C TRP A 27 -14.311 -6.836 4.434 1.00 42.24 C ATOM 419 O TRP A 27 -15.529 -6.649 4.370 1.00 2.23 O ATOM 420 CB TRP A 27 -13.539 -5.697 6.551 1.00 62.42 C ATOM 421 CG TRP A 27 -12.756 -4.615 5.861 1.00 4.33 C ATOM 422 CD1 TRP A 27 -11.415 -4.381 5.959 1.00 25.34 C ATOM 423 CD2 TRP A 27 -13.274 -3.612 4.977 1.00 60.14 C ATOM 424 NE1 TRP A 27 -11.068 -3.303 5.182 1.00 51.13 N ATOM 425 CE2 TRP A 27 -12.191 -2.814 4.571 1.00 40.23 C ATOM 426 CE3 TRP A 27 -14.549 -3.318 4.486 1.00 11.24 C ATOM 427 CZ2 TRP A 27 -12.342 -1.741 3.696 1.00 51.22 C ATOM 428 CZ3 TRP A 27 -14.697 -2.254 3.621 1.00 33.22 C ATOM 429 CH2 TRP A 27 -13.600 -1.477 3.233 1.00 14.21 C ATOM 0 H TRP A 27 -11.518 -6.889 5.659 1.00 15.41 H new ATOM 0 HA TRP A 27 -14.176 -7.729 6.379 1.00 51.10 H new ATOM 0 HB2 TRP A 27 -14.554 -5.340 6.724 1.00 62.42 H new ATOM 0 HB3 TRP A 27 -13.095 -5.883 7.529 1.00 62.42 H new ATOM 0 HD1 TRP A 27 -10.728 -4.959 6.559 1.00 25.34 H new ATOM 0 HE1 TRP A 27 -10.125 -2.927 5.077 1.00 51.13 H new ATOM 0 HE3 TRP A 27 -15.402 -3.913 4.778 1.00 11.24 H new ATOM 0 HZ2 TRP A 27 -11.497 -1.140 3.395 1.00 51.22 H new ATOM 0 HZ3 TRP A 27 -15.678 -2.016 3.236 1.00 33.22 H new ATOM 0 HH2 TRP A 27 -13.751 -0.651 2.553 1.00 14.21 H new ATOM 440 N ARG A 28 -13.528 -6.907 3.369 1.00 10.41 N ATOM 441 CA ARG A 28 -14.030 -6.744 2.020 1.00 12.31 C ATOM 442 C ARG A 28 -14.463 -8.089 1.459 1.00 3.35 C ATOM 443 O ARG A 28 -15.548 -8.223 0.896 1.00 24.44 O ATOM 444 CB ARG A 28 -12.942 -6.145 1.132 1.00 11.25 C ATOM 445 CG ARG A 28 -12.284 -4.909 1.716 1.00 3.32 C ATOM 446 CD ARG A 28 -11.182 -4.391 0.816 1.00 53.12 C ATOM 447 NE ARG A 28 -11.701 -3.865 -0.438 1.00 22.51 N ATOM 448 CZ ARG A 28 -11.442 -4.379 -1.640 1.00 53.45 C ATOM 449 NH1 ARG A 28 -10.675 -5.470 -1.760 1.00 2.04 N ATOM 450 NH2 ARG A 28 -11.947 -3.803 -2.724 1.00 2.45 N ATOM 0 H ARG A 28 -12.524 -7.080 3.419 1.00 10.41 H new ATOM 0 HA ARG A 28 -14.889 -6.073 2.041 1.00 12.31 H new ATOM 0 HB2 ARG A 28 -12.178 -6.901 0.951 1.00 11.25 H new ATOM 0 HB3 ARG A 28 -13.375 -5.891 0.164 1.00 11.25 H new ATOM 0 HG2 ARG A 28 -13.033 -4.131 1.861 1.00 3.32 H new ATOM 0 HG3 ARG A 28 -11.873 -5.143 2.698 1.00 3.32 H new ATOM 0 HD2 ARG A 28 -10.628 -3.609 1.335 1.00 53.12 H new ATOM 0 HD3 ARG A 28 -10.477 -5.196 0.607 1.00 53.12 H new ATOM 0 HE ARG A 28 -12.306 -3.045 -0.394 1.00 22.51 H new ATOM 0 HH11 ARG A 28 -10.285 -5.913 -0.928 1.00 2.04 H new ATOM 0 HH12 ARG A 28 -10.481 -5.858 -2.683 1.00 2.04 H new ATOM 0 HH21 ARG A 28 -12.530 -2.971 -2.635 1.00 2.45 H new ATOM 0 HH22 ARG A 28 -11.752 -4.192 -3.646 1.00 2.45 H new ATOM 464 N GLN A 29 -13.606 -9.084 1.624 1.00 52.40 N ATOM 465 CA GLN A 29 -13.874 -10.423 1.137 1.00 41.34 C ATOM 466 C GLN A 29 -13.415 -11.449 2.174 1.00 61.42 C ATOM 467 O GLN A 29 -12.219 -11.595 2.428 1.00 54.50 O ATOM 468 CB GLN A 29 -13.163 -10.637 -0.211 1.00 35.44 C ATOM 469 CG GLN A 29 -13.472 -11.964 -0.883 1.00 50.54 C ATOM 470 CD GLN A 29 -12.980 -12.020 -2.323 1.00 35.21 C ATOM 471 OE1 GLN A 29 -11.851 -12.422 -2.599 1.00 42.41 O ATOM 472 NE2 GLN A 29 -13.825 -11.617 -3.247 1.00 53.34 N ATOM 0 H GLN A 29 -12.708 -8.984 2.098 1.00 52.40 H new ATOM 0 HA GLN A 29 -14.945 -10.552 0.981 1.00 41.34 H new ATOM 0 HB2 GLN A 29 -13.442 -9.828 -0.887 1.00 35.44 H new ATOM 0 HB3 GLN A 29 -12.087 -10.565 -0.055 1.00 35.44 H new ATOM 0 HG2 GLN A 29 -13.011 -12.771 -0.314 1.00 50.54 H new ATOM 0 HG3 GLN A 29 -14.548 -12.135 -0.864 1.00 50.54 H new ATOM 0 HE21 GLN A 29 -14.754 -11.290 -2.981 1.00 53.34 H new ATOM 0 HE22 GLN A 29 -13.551 -11.632 -4.230 1.00 53.34 H new ATOM 481 N GLU A 30 -14.374 -12.134 2.791 1.00 52.11 N ATOM 482 CA GLU A 30 -14.080 -13.111 3.841 1.00 13.45 C ATOM 483 C GLU A 30 -13.306 -14.311 3.294 1.00 34.41 C ATOM 484 O GLU A 30 -12.510 -14.920 4.005 1.00 73.14 O ATOM 485 CB GLU A 30 -15.369 -13.564 4.536 1.00 2.30 C ATOM 486 CG GLU A 30 -15.136 -14.480 5.727 1.00 13.13 C ATOM 487 CD GLU A 30 -16.398 -14.753 6.510 1.00 55.33 C ATOM 488 OE1 GLU A 30 -17.127 -15.707 6.165 1.00 13.11 O ATOM 489 OE2 GLU A 30 -16.666 -14.018 7.484 1.00 5.53 O ATOM 0 H GLU A 30 -15.367 -12.031 2.582 1.00 52.11 H new ATOM 0 HA GLU A 30 -13.444 -12.621 4.579 1.00 13.45 H new ATOM 0 HB2 GLU A 30 -15.920 -12.684 4.869 1.00 2.30 H new ATOM 0 HB3 GLU A 30 -15.999 -14.079 3.811 1.00 2.30 H new ATOM 0 HG2 GLU A 30 -14.719 -15.424 5.377 1.00 13.13 H new ATOM 0 HG3 GLU A 30 -14.395 -14.029 6.387 1.00 13.13 H new ATOM 496 N LYS A 31 -13.543 -14.650 2.051 1.00 34.21 N ATOM 497 CA LYS A 31 -12.819 -15.728 1.416 1.00 41.32 C ATOM 498 C LYS A 31 -12.230 -15.242 0.109 1.00 64.31 C ATOM 499 O LYS A 31 -12.894 -15.244 -0.931 1.00 5.35 O ATOM 500 CB LYS A 31 -13.722 -16.940 1.198 1.00 1.12 C ATOM 501 CG LYS A 31 -13.019 -18.129 0.559 1.00 24.10 C ATOM 502 CD LYS A 31 -13.964 -19.308 0.394 1.00 12.43 C ATOM 503 CE LYS A 31 -13.280 -20.480 -0.289 1.00 32.22 C ATOM 504 NZ LYS A 31 -12.821 -20.139 -1.660 1.00 11.30 N ATOM 0 H LYS A 31 -14.234 -14.194 1.455 1.00 34.21 H new ATOM 0 HA LYS A 31 -12.007 -16.044 2.071 1.00 41.32 H new ATOM 0 HB2 LYS A 31 -14.136 -17.249 2.158 1.00 1.12 H new ATOM 0 HB3 LYS A 31 -14.562 -16.646 0.568 1.00 1.12 H new ATOM 0 HG2 LYS A 31 -12.623 -17.839 -0.414 1.00 24.10 H new ATOM 0 HG3 LYS A 31 -12.169 -18.425 1.174 1.00 24.10 H new ATOM 0 HD2 LYS A 31 -14.332 -19.620 1.371 1.00 12.43 H new ATOM 0 HD3 LYS A 31 -14.831 -19.001 -0.190 1.00 12.43 H new ATOM 0 HE2 LYS A 31 -12.427 -20.800 0.309 1.00 32.22 H new ATOM 0 HE3 LYS A 31 -13.969 -21.323 -0.337 1.00 32.22 H new ATOM 0 HZ1 LYS A 31 -12.580 -21.011 -2.172 1.00 11.30 H new ATOM 0 HZ2 LYS A 31 -13.580 -19.639 -2.166 1.00 11.30 H new ATOM 0 HZ3 LYS A 31 -11.982 -19.528 -1.603 1.00 11.30 H new ATOM 518 N ILE A 32 -10.992 -14.797 0.179 1.00 62.22 N ATOM 519 CA ILE A 32 -10.311 -14.235 -0.965 1.00 11.15 C ATOM 520 C ILE A 32 -9.950 -15.301 -1.984 1.00 44.15 C ATOM 521 O ILE A 32 -9.212 -16.245 -1.689 1.00 11.13 O ATOM 522 CB ILE A 32 -9.062 -13.444 -0.537 1.00 54.13 C ATOM 523 CG1 ILE A 32 -9.481 -12.315 0.411 1.00 42.02 C ATOM 524 CG2 ILE A 32 -8.335 -12.884 -1.756 1.00 63.44 C ATOM 525 CD1 ILE A 32 -8.336 -11.486 0.920 1.00 42.01 C ATOM 0 H ILE A 32 -10.432 -14.816 1.031 1.00 62.22 H new ATOM 0 HA ILE A 32 -11.004 -13.543 -1.443 1.00 11.15 H new ATOM 0 HB ILE A 32 -8.374 -14.111 -0.018 1.00 54.13 H new ATOM 0 HG12 ILE A 32 -10.186 -11.664 -0.106 1.00 42.02 H new ATOM 0 HG13 ILE A 32 -10.010 -12.746 1.261 1.00 42.02 H new ATOM 0 HG21 ILE A 32 -7.455 -12.328 -1.431 1.00 63.44 H new ATOM 0 HG22 ILE A 32 -8.027 -13.704 -2.405 1.00 63.44 H new ATOM 0 HG23 ILE A 32 -9.002 -12.219 -2.304 1.00 63.44 H new ATOM 0 HD11 ILE A 32 -8.716 -10.709 1.584 1.00 42.01 H new ATOM 0 HD12 ILE A 32 -7.641 -12.123 1.467 1.00 42.01 H new ATOM 0 HD13 ILE A 32 -7.820 -11.024 0.079 1.00 42.01 H new ATOM 537 N THR A 33 -10.490 -15.144 -3.179 1.00 64.43 N ATOM 538 CA THR A 33 -10.272 -16.086 -4.255 1.00 53.34 C ATOM 539 C THR A 33 -9.407 -15.485 -5.358 1.00 42.01 C ATOM 540 O THR A 33 -9.208 -16.098 -6.407 1.00 30.42 O ATOM 541 CB THR A 33 -11.616 -16.520 -4.860 1.00 21.10 C ATOM 542 OG1 THR A 33 -12.406 -15.355 -5.161 1.00 43.12 O ATOM 543 CG2 THR A 33 -12.378 -17.413 -3.895 1.00 15.04 C ATOM 0 H THR A 33 -11.092 -14.359 -3.428 1.00 64.43 H new ATOM 0 HA THR A 33 -9.754 -16.948 -3.833 1.00 53.34 H new ATOM 0 HB THR A 33 -11.420 -17.082 -5.773 1.00 21.10 H new ATOM 0 HG1 THR A 33 -13.263 -15.632 -5.548 1.00 43.12 H new ATOM 0 HG21 THR A 33 -13.326 -17.708 -4.344 1.00 15.04 H new ATOM 0 HG22 THR A 33 -11.787 -18.303 -3.678 1.00 15.04 H new ATOM 0 HG23 THR A 33 -12.568 -16.870 -2.970 1.00 15.04 H new ATOM 551 N ARG A 34 -8.899 -14.286 -5.127 1.00 41.11 N ATOM 552 CA ARG A 34 -8.081 -13.621 -6.124 1.00 4.52 C ATOM 553 C ARG A 34 -6.611 -13.984 -5.932 1.00 71.42 C ATOM 554 O ARG A 34 -6.135 -14.111 -4.800 1.00 22.41 O ATOM 555 CB ARG A 34 -8.264 -12.093 -6.051 1.00 53.14 C ATOM 556 CG ARG A 34 -7.423 -11.419 -4.976 1.00 42.00 C ATOM 557 CD ARG A 34 -7.712 -9.936 -4.876 1.00 41.11 C ATOM 558 NE ARG A 34 -8.969 -9.664 -4.178 1.00 61.33 N ATOM 559 CZ ARG A 34 -9.045 -9.070 -2.983 1.00 72.12 C ATOM 560 NH1 ARG A 34 -7.936 -8.759 -2.325 1.00 50.43 N ATOM 561 NH2 ARG A 34 -10.230 -8.814 -2.440 1.00 11.34 N ATOM 0 H ARG A 34 -9.037 -13.758 -4.265 1.00 41.11 H new ATOM 0 HA ARG A 34 -8.402 -13.960 -7.109 1.00 4.52 H new ATOM 0 HB2 ARG A 34 -8.012 -11.661 -7.019 1.00 53.14 H new ATOM 0 HB3 ARG A 34 -9.315 -11.872 -5.867 1.00 53.14 H new ATOM 0 HG2 ARG A 34 -7.618 -11.892 -4.014 1.00 42.00 H new ATOM 0 HG3 ARG A 34 -6.366 -11.568 -5.196 1.00 42.00 H new ATOM 0 HD2 ARG A 34 -6.893 -9.442 -4.352 1.00 41.11 H new ATOM 0 HD3 ARG A 34 -7.754 -9.507 -5.877 1.00 41.11 H new ATOM 0 HE ARG A 34 -9.839 -9.944 -4.630 1.00 61.33 H new ATOM 0 HH11 ARG A 34 -7.025 -8.973 -2.731 1.00 50.43 H new ATOM 0 HH12 ARG A 34 -7.994 -8.306 -1.413 1.00 50.43 H new ATOM 0 HH21 ARG A 34 -11.084 -9.071 -2.935 1.00 11.34 H new ATOM 0 HH22 ARG A 34 -10.286 -8.361 -1.528 1.00 11.34 H new ATOM 575 N THR A 35 -5.904 -14.169 -7.020 1.00 11.04 N ATOM 576 CA THR A 35 -4.496 -14.469 -6.945 1.00 40.43 C ATOM 577 C THR A 35 -3.677 -13.175 -7.023 1.00 74.15 C ATOM 578 O THR A 35 -4.216 -12.103 -7.331 1.00 4.35 O ATOM 579 CB THR A 35 -4.054 -15.459 -8.061 1.00 23.44 C ATOM 580 OG1 THR A 35 -2.686 -15.836 -7.867 1.00 52.43 O ATOM 581 CG2 THR A 35 -4.216 -14.841 -9.438 1.00 43.42 C ATOM 0 H THR A 35 -6.280 -14.117 -7.967 1.00 11.04 H new ATOM 0 HA THR A 35 -4.311 -14.955 -5.987 1.00 40.43 H new ATOM 0 HB THR A 35 -4.692 -16.341 -8.000 1.00 23.44 H new ATOM 0 HG1 THR A 35 -2.292 -16.091 -8.727 1.00 52.43 H new ATOM 0 HG21 THR A 35 -3.899 -15.556 -10.197 1.00 43.42 H new ATOM 0 HG22 THR A 35 -5.262 -14.580 -9.599 1.00 43.42 H new ATOM 0 HG23 THR A 35 -3.603 -13.942 -9.508 1.00 43.42 H new ATOM 589 N LYS A 36 -2.385 -13.278 -6.742 1.00 2.20 N ATOM 590 CA LYS A 36 -1.494 -12.124 -6.758 1.00 61.04 C ATOM 591 C LYS A 36 -1.397 -11.538 -8.165 1.00 55.20 C ATOM 592 O LYS A 36 -1.328 -10.321 -8.338 1.00 12.12 O ATOM 593 CB LYS A 36 -0.105 -12.532 -6.223 1.00 12.30 C ATOM 594 CG LYS A 36 0.947 -11.418 -6.205 1.00 32.24 C ATOM 595 CD LYS A 36 1.709 -11.309 -7.533 1.00 64.42 C ATOM 596 CE LYS A 36 2.818 -12.361 -7.666 1.00 72.32 C ATOM 597 NZ LYS A 36 2.303 -13.761 -7.667 1.00 15.15 N ATOM 0 H LYS A 36 -1.927 -14.156 -6.498 1.00 2.20 H new ATOM 0 HA LYS A 36 -1.900 -11.349 -6.108 1.00 61.04 H new ATOM 0 HB2 LYS A 36 -0.223 -12.913 -5.209 1.00 12.30 H new ATOM 0 HB3 LYS A 36 0.272 -13.355 -6.831 1.00 12.30 H new ATOM 0 HG2 LYS A 36 0.461 -10.467 -5.990 1.00 32.24 H new ATOM 0 HG3 LYS A 36 1.655 -11.604 -5.397 1.00 32.24 H new ATOM 0 HD2 LYS A 36 1.008 -11.420 -8.360 1.00 64.42 H new ATOM 0 HD3 LYS A 36 2.146 -10.314 -7.616 1.00 64.42 H new ATOM 0 HE2 LYS A 36 3.370 -12.183 -8.589 1.00 72.32 H new ATOM 0 HE3 LYS A 36 3.524 -12.241 -6.844 1.00 72.32 H new ATOM 0 HZ1 LYS A 36 3.000 -14.387 -8.118 1.00 15.15 H new ATOM 0 HZ2 LYS A 36 2.141 -14.072 -6.688 1.00 15.15 H new ATOM 0 HZ3 LYS A 36 1.408 -13.801 -8.196 1.00 15.15 H new ATOM 611 N GLU A 37 -1.408 -12.415 -9.156 1.00 42.30 N ATOM 612 CA GLU A 37 -1.332 -12.018 -10.556 1.00 72.11 C ATOM 613 C GLU A 37 -2.452 -11.043 -10.906 1.00 35.44 C ATOM 614 O GLU A 37 -2.231 -10.043 -11.595 1.00 13.04 O ATOM 615 CB GLU A 37 -1.397 -13.246 -11.477 1.00 42.03 C ATOM 616 CG GLU A 37 -0.268 -14.259 -11.277 1.00 62.04 C ATOM 617 CD GLU A 37 -0.407 -15.060 -10.001 1.00 34.11 C ATOM 618 OE1 GLU A 37 0.169 -14.656 -8.971 1.00 24.42 O ATOM 619 OE2 GLU A 37 -1.113 -16.087 -10.017 1.00 33.43 O ATOM 0 H GLU A 37 -1.470 -13.423 -9.014 1.00 42.30 H new ATOM 0 HA GLU A 37 -0.375 -11.518 -10.708 1.00 72.11 H new ATOM 0 HB2 GLU A 37 -2.351 -13.750 -11.320 1.00 42.03 H new ATOM 0 HB3 GLU A 37 -1.383 -12.907 -12.513 1.00 42.03 H new ATOM 0 HG2 GLU A 37 -0.246 -14.942 -12.127 1.00 62.04 H new ATOM 0 HG3 GLU A 37 0.686 -13.733 -11.266 1.00 62.04 H new ATOM 626 N GLU A 38 -3.649 -11.332 -10.411 1.00 72.33 N ATOM 627 CA GLU A 38 -4.802 -10.481 -10.645 1.00 53.12 C ATOM 628 C GLU A 38 -4.643 -9.165 -9.909 1.00 25.43 C ATOM 629 O GLU A 38 -4.875 -8.096 -10.468 1.00 40.12 O ATOM 630 CB GLU A 38 -6.078 -11.175 -10.174 1.00 35.41 C ATOM 631 CG GLU A 38 -6.418 -12.436 -10.940 1.00 60.44 C ATOM 632 CD GLU A 38 -6.719 -12.168 -12.391 1.00 61.55 C ATOM 633 OE1 GLU A 38 -5.984 -12.684 -13.259 1.00 54.31 O ATOM 634 OE2 GLU A 38 -7.697 -11.437 -12.677 1.00 24.21 O ATOM 0 H GLU A 38 -3.844 -12.156 -9.842 1.00 72.33 H new ATOM 0 HA GLU A 38 -4.873 -10.288 -11.715 1.00 53.12 H new ATOM 0 HB2 GLU A 38 -5.975 -11.422 -9.117 1.00 35.41 H new ATOM 0 HB3 GLU A 38 -6.910 -10.476 -10.258 1.00 35.41 H new ATOM 0 HG2 GLU A 38 -5.585 -13.136 -10.869 1.00 60.44 H new ATOM 0 HG3 GLU A 38 -7.279 -12.917 -10.477 1.00 60.44 H new ATOM 641 N ALA A 39 -4.228 -9.257 -8.653 1.00 55.12 N ATOM 642 CA ALA A 39 -4.049 -8.089 -7.803 1.00 73.52 C ATOM 643 C ALA A 39 -3.083 -7.083 -8.427 1.00 14.13 C ATOM 644 O ALA A 39 -3.299 -5.873 -8.345 1.00 41.25 O ATOM 645 CB ALA A 39 -3.558 -8.514 -6.429 1.00 61.50 C ATOM 0 H ALA A 39 -4.006 -10.142 -8.196 1.00 55.12 H new ATOM 0 HA ALA A 39 -5.016 -7.597 -7.700 1.00 73.52 H new ATOM 0 HB1 ALA A 39 -3.427 -7.633 -5.801 1.00 61.50 H new ATOM 0 HB2 ALA A 39 -4.289 -9.181 -5.972 1.00 61.50 H new ATOM 0 HB3 ALA A 39 -2.605 -9.034 -6.528 1.00 61.50 H new ATOM 651 N LEU A 40 -2.034 -7.592 -9.063 1.00 0.12 N ATOM 652 CA LEU A 40 -1.026 -6.742 -9.686 1.00 70.44 C ATOM 653 C LEU A 40 -1.632 -5.871 -10.789 1.00 1.25 C ATOM 654 O LEU A 40 -1.276 -4.698 -10.925 1.00 53.03 O ATOM 655 CB LEU A 40 0.130 -7.589 -10.234 1.00 44.34 C ATOM 656 CG LEU A 40 1.304 -6.807 -10.842 1.00 42.41 C ATOM 657 CD1 LEU A 40 1.893 -5.839 -9.826 1.00 51.12 C ATOM 658 CD2 LEU A 40 2.374 -7.763 -11.346 1.00 13.42 C ATOM 0 H LEU A 40 -1.859 -8.592 -9.161 1.00 0.12 H new ATOM 0 HA LEU A 40 -0.633 -6.075 -8.919 1.00 70.44 H new ATOM 0 HB2 LEU A 40 0.513 -8.212 -9.426 1.00 44.34 H new ATOM 0 HB3 LEU A 40 -0.266 -8.261 -10.995 1.00 44.34 H new ATOM 0 HG LEU A 40 0.928 -6.229 -11.686 1.00 42.41 H new ATOM 0 HD11 LEU A 40 2.723 -5.296 -10.279 1.00 51.12 H new ATOM 0 HD12 LEU A 40 1.126 -5.132 -9.510 1.00 51.12 H new ATOM 0 HD13 LEU A 40 2.253 -6.395 -8.960 1.00 51.12 H new ATOM 0 HD21 LEU A 40 3.199 -7.193 -11.774 1.00 13.42 H new ATOM 0 HD22 LEU A 40 2.742 -8.367 -10.517 1.00 13.42 H new ATOM 0 HD23 LEU A 40 1.949 -8.415 -12.109 1.00 13.42 H new ATOM 670 N GLU A 41 -2.560 -6.437 -11.559 1.00 2.32 N ATOM 671 CA GLU A 41 -3.215 -5.688 -12.629 1.00 0.31 C ATOM 672 C GLU A 41 -3.997 -4.517 -12.050 1.00 4.34 C ATOM 673 O GLU A 41 -3.957 -3.403 -12.583 1.00 5.03 O ATOM 674 CB GLU A 41 -4.146 -6.587 -13.444 1.00 65.14 C ATOM 675 CG GLU A 41 -3.444 -7.724 -14.172 1.00 1.43 C ATOM 676 CD GLU A 41 -2.355 -7.247 -15.118 1.00 23.54 C ATOM 677 OE1 GLU A 41 -1.268 -7.866 -15.132 1.00 35.24 O ATOM 678 OE2 GLU A 41 -2.574 -6.256 -15.847 1.00 52.34 O ATOM 0 H GLU A 41 -2.873 -7.403 -11.463 1.00 2.32 H new ATOM 0 HA GLU A 41 -2.441 -5.307 -13.295 1.00 0.31 H new ATOM 0 HB2 GLU A 41 -4.899 -7.008 -12.778 1.00 65.14 H new ATOM 0 HB3 GLU A 41 -4.674 -5.975 -14.175 1.00 65.14 H new ATOM 0 HG2 GLU A 41 -3.008 -8.402 -13.438 1.00 1.43 H new ATOM 0 HG3 GLU A 41 -4.181 -8.296 -14.736 1.00 1.43 H new ATOM 685 N LEU A 42 -4.700 -4.771 -10.951 1.00 11.32 N ATOM 686 CA LEU A 42 -5.459 -3.728 -10.271 1.00 10.55 C ATOM 687 C LEU A 42 -4.523 -2.642 -9.764 1.00 33.55 C ATOM 688 O LEU A 42 -4.793 -1.452 -9.927 1.00 30.44 O ATOM 689 CB LEU A 42 -6.275 -4.299 -9.096 1.00 43.41 C ATOM 690 CG LEU A 42 -7.601 -4.997 -9.447 1.00 24.21 C ATOM 691 CD1 LEU A 42 -7.369 -6.266 -10.247 1.00 43.20 C ATOM 692 CD2 LEU A 42 -8.388 -5.302 -8.183 1.00 64.12 C ATOM 0 H LEU A 42 -4.760 -5.690 -10.512 1.00 11.32 H new ATOM 0 HA LEU A 42 -6.155 -3.301 -10.994 1.00 10.55 H new ATOM 0 HB2 LEU A 42 -5.647 -5.011 -8.561 1.00 43.41 H new ATOM 0 HB3 LEU A 42 -6.492 -3.484 -8.405 1.00 43.41 H new ATOM 0 HG LEU A 42 -8.181 -4.316 -10.069 1.00 24.21 H new ATOM 0 HD11 LEU A 42 -8.327 -6.732 -10.477 1.00 43.20 H new ATOM 0 HD12 LEU A 42 -6.853 -6.022 -11.175 1.00 43.20 H new ATOM 0 HD13 LEU A 42 -6.760 -6.957 -9.664 1.00 43.20 H new ATOM 0 HD21 LEU A 42 -9.323 -5.796 -8.447 1.00 64.12 H new ATOM 0 HD22 LEU A 42 -7.802 -5.957 -7.538 1.00 64.12 H new ATOM 0 HD23 LEU A 42 -8.604 -4.373 -7.656 1.00 64.12 H new ATOM 704 N ILE A 43 -3.413 -3.065 -9.164 1.00 44.21 N ATOM 705 CA ILE A 43 -2.418 -2.142 -8.632 1.00 51.12 C ATOM 706 C ILE A 43 -1.895 -1.214 -9.720 1.00 14.41 C ATOM 707 O ILE A 43 -1.882 0.005 -9.547 1.00 13.43 O ATOM 708 CB ILE A 43 -1.235 -2.897 -7.971 1.00 73.44 C ATOM 709 CG1 ILE A 43 -1.719 -3.677 -6.744 1.00 64.21 C ATOM 710 CG2 ILE A 43 -0.116 -1.934 -7.586 1.00 43.32 C ATOM 711 CD1 ILE A 43 -2.343 -2.808 -5.668 1.00 21.12 C ATOM 0 H ILE A 43 -3.180 -4.050 -9.034 1.00 44.21 H new ATOM 0 HA ILE A 43 -2.914 -1.544 -7.867 1.00 51.12 H new ATOM 0 HB ILE A 43 -0.835 -3.603 -8.698 1.00 73.44 H new ATOM 0 HG12 ILE A 43 -2.448 -4.421 -7.064 1.00 64.21 H new ATOM 0 HG13 ILE A 43 -0.876 -4.220 -6.315 1.00 64.21 H new ATOM 0 HG21 ILE A 43 0.700 -2.490 -7.125 1.00 43.32 H new ATOM 0 HG22 ILE A 43 0.250 -1.426 -8.478 1.00 43.32 H new ATOM 0 HG23 ILE A 43 -0.497 -1.197 -6.879 1.00 43.32 H new ATOM 0 HD11 ILE A 43 -2.660 -3.434 -4.834 1.00 21.12 H new ATOM 0 HD12 ILE A 43 -1.611 -2.080 -5.318 1.00 21.12 H new ATOM 0 HD13 ILE A 43 -3.207 -2.285 -6.078 1.00 21.12 H new ATOM 723 N ASN A 44 -1.487 -1.791 -10.847 1.00 62.45 N ATOM 724 CA ASN A 44 -0.989 -0.997 -11.972 1.00 25.43 C ATOM 725 C ASN A 44 -2.059 -0.030 -12.444 1.00 54.22 C ATOM 726 O ASN A 44 -1.765 1.112 -12.810 1.00 5.51 O ATOM 727 CB ASN A 44 -0.550 -1.891 -13.131 1.00 61.24 C ATOM 728 CG ASN A 44 0.643 -2.761 -12.795 1.00 21.44 C ATOM 729 OD1 ASN A 44 1.476 -2.405 -11.960 1.00 41.24 O ATOM 730 ND2 ASN A 44 0.738 -3.901 -13.451 1.00 61.42 N ATOM 0 H ASN A 44 -1.490 -2.798 -11.008 1.00 62.45 H new ATOM 0 HA ASN A 44 -0.121 -0.436 -11.627 1.00 25.43 H new ATOM 0 HB2 ASN A 44 -1.384 -2.528 -13.426 1.00 61.24 H new ATOM 0 HB3 ASN A 44 -0.306 -1.267 -13.990 1.00 61.24 H new ATOM 0 HD21 ASN A 44 1.524 -4.527 -13.275 1.00 61.42 H new ATOM 0 HD22 ASN A 44 0.025 -4.157 -14.134 1.00 61.42 H new ATOM 737 N GLY A 45 -3.307 -0.492 -12.418 1.00 21.22 N ATOM 738 CA GLY A 45 -4.420 0.341 -12.808 1.00 41.32 C ATOM 739 C GLY A 45 -4.559 1.556 -11.915 1.00 11.44 C ATOM 740 O GLY A 45 -4.849 2.656 -12.390 1.00 13.02 O ATOM 0 H GLY A 45 -3.563 -1.437 -12.131 1.00 21.22 H new ATOM 0 HA2 GLY A 45 -4.287 0.663 -13.841 1.00 41.32 H new ATOM 0 HA3 GLY A 45 -5.340 -0.243 -12.772 1.00 41.32 H new ATOM 744 N TYR A 46 -4.352 1.360 -10.615 1.00 32.50 N ATOM 745 CA TYR A 46 -4.402 2.459 -9.662 1.00 5.31 C ATOM 746 C TYR A 46 -3.219 3.378 -9.886 1.00 33.24 C ATOM 747 O TYR A 46 -3.362 4.596 -9.878 1.00 62.15 O ATOM 748 CB TYR A 46 -4.386 1.949 -8.215 1.00 74.11 C ATOM 749 CG TYR A 46 -5.498 0.982 -7.876 1.00 64.22 C ATOM 750 CD1 TYR A 46 -5.237 -0.164 -7.139 1.00 63.40 C ATOM 751 CD2 TYR A 46 -6.803 1.209 -8.297 1.00 12.44 C ATOM 752 CE1 TYR A 46 -6.241 -1.057 -6.830 1.00 51.23 C ATOM 753 CE2 TYR A 46 -7.813 0.320 -7.991 1.00 11.42 C ATOM 754 CZ TYR A 46 -7.525 -0.812 -7.257 1.00 61.35 C ATOM 755 OH TYR A 46 -8.526 -1.702 -6.953 1.00 41.33 O ATOM 0 H TYR A 46 -4.148 0.450 -10.201 1.00 32.50 H new ATOM 0 HA TYR A 46 -5.334 3.002 -9.821 1.00 5.31 H new ATOM 0 HB2 TYR A 46 -3.429 1.463 -8.026 1.00 74.11 H new ATOM 0 HB3 TYR A 46 -4.448 2.804 -7.542 1.00 74.11 H new ATOM 0 HD1 TYR A 46 -4.230 -0.360 -6.801 1.00 63.40 H new ATOM 0 HD2 TYR A 46 -7.030 2.094 -8.872 1.00 12.44 H new ATOM 0 HE1 TYR A 46 -6.020 -1.944 -6.255 1.00 51.23 H new ATOM 0 HE2 TYR A 46 -8.823 0.509 -8.324 1.00 11.42 H new ATOM 0 HH TYR A 46 -9.087 -1.332 -6.239 1.00 41.33 H new ATOM 765 N ILE A 47 -2.051 2.774 -10.105 1.00 21.14 N ATOM 766 CA ILE A 47 -0.818 3.514 -10.352 1.00 11.31 C ATOM 767 C ILE A 47 -0.998 4.519 -11.485 1.00 12.12 C ATOM 768 O ILE A 47 -0.611 5.684 -11.361 1.00 61.42 O ATOM 769 CB ILE A 47 0.359 2.555 -10.689 1.00 61.25 C ATOM 770 CG1 ILE A 47 0.732 1.719 -9.461 1.00 64.35 C ATOM 771 CG2 ILE A 47 1.574 3.327 -11.206 1.00 63.14 C ATOM 772 CD1 ILE A 47 1.842 0.723 -9.714 1.00 12.32 C ATOM 0 H ILE A 47 -1.935 1.761 -10.116 1.00 21.14 H new ATOM 0 HA ILE A 47 -0.579 4.053 -9.435 1.00 11.31 H new ATOM 0 HB ILE A 47 0.031 1.884 -11.483 1.00 61.25 H new ATOM 0 HG12 ILE A 47 1.034 2.388 -8.656 1.00 64.35 H new ATOM 0 HG13 ILE A 47 -0.152 1.183 -9.116 1.00 64.35 H new ATOM 0 HG21 ILE A 47 2.379 2.628 -11.433 1.00 63.14 H new ATOM 0 HG22 ILE A 47 1.301 3.872 -12.110 1.00 63.14 H new ATOM 0 HG23 ILE A 47 1.908 4.032 -10.445 1.00 63.14 H new ATOM 0 HD11 ILE A 47 2.050 0.169 -8.798 1.00 12.32 H new ATOM 0 HD12 ILE A 47 1.536 0.029 -10.497 1.00 12.32 H new ATOM 0 HD13 ILE A 47 2.741 1.252 -10.029 1.00 12.32 H new ATOM 784 N GLN A 48 -1.603 4.066 -12.576 1.00 55.01 N ATOM 785 CA GLN A 48 -1.842 4.923 -13.730 1.00 5.34 C ATOM 786 C GLN A 48 -2.724 6.106 -13.350 1.00 72.03 C ATOM 787 O GLN A 48 -2.463 7.242 -13.749 1.00 70.40 O ATOM 788 CB GLN A 48 -2.495 4.131 -14.867 1.00 4.01 C ATOM 789 CG GLN A 48 -1.678 2.940 -15.348 1.00 5.14 C ATOM 790 CD GLN A 48 -0.257 3.314 -15.716 1.00 74.23 C ATOM 791 OE1 GLN A 48 0.030 3.684 -16.853 1.00 50.34 O ATOM 792 NE2 GLN A 48 0.645 3.198 -14.763 1.00 61.51 N ATOM 0 H GLN A 48 -1.937 3.109 -12.686 1.00 55.01 H new ATOM 0 HA GLN A 48 -0.878 5.300 -14.073 1.00 5.34 H new ATOM 0 HB2 GLN A 48 -3.471 3.777 -14.534 1.00 4.01 H new ATOM 0 HB3 GLN A 48 -2.669 4.802 -15.709 1.00 4.01 H new ATOM 0 HG2 GLN A 48 -1.658 2.180 -14.567 1.00 5.14 H new ATOM 0 HG3 GLN A 48 -2.168 2.495 -16.214 1.00 5.14 H new ATOM 0 HE21 GLN A 48 0.366 2.888 -13.832 1.00 61.51 H new ATOM 0 HE22 GLN A 48 1.622 3.419 -14.956 1.00 61.51 H new ATOM 801 N LYS A 49 -3.750 5.829 -12.558 1.00 24.15 N ATOM 802 CA LYS A 49 -4.699 6.848 -12.122 1.00 73.22 C ATOM 803 C LYS A 49 -4.047 7.850 -11.187 1.00 24.10 C ATOM 804 O LYS A 49 -4.281 9.048 -11.290 1.00 72.42 O ATOM 805 CB LYS A 49 -5.891 6.197 -11.427 1.00 70.42 C ATOM 806 CG LYS A 49 -6.708 5.304 -12.332 1.00 45.12 C ATOM 807 CD LYS A 49 -7.766 4.544 -11.557 1.00 74.25 C ATOM 808 CE LYS A 49 -8.603 3.679 -12.482 1.00 24.44 C ATOM 809 NZ LYS A 49 -7.769 2.726 -13.257 1.00 15.30 N ATOM 0 H LYS A 49 -3.949 4.895 -12.200 1.00 24.15 H new ATOM 0 HA LYS A 49 -5.042 7.381 -13.009 1.00 73.22 H new ATOM 0 HB2 LYS A 49 -5.532 5.611 -10.581 1.00 70.42 H new ATOM 0 HB3 LYS A 49 -6.536 6.978 -11.023 1.00 70.42 H new ATOM 0 HG2 LYS A 49 -7.185 5.907 -13.105 1.00 45.12 H new ATOM 0 HG3 LYS A 49 -6.050 4.598 -12.839 1.00 45.12 H new ATOM 0 HD2 LYS A 49 -7.290 3.919 -10.801 1.00 74.25 H new ATOM 0 HD3 LYS A 49 -8.410 5.247 -11.029 1.00 74.25 H new ATOM 0 HE2 LYS A 49 -9.336 3.125 -11.896 1.00 24.44 H new ATOM 0 HE3 LYS A 49 -9.160 4.316 -13.169 1.00 24.44 H new ATOM 0 HZ1 LYS A 49 -8.230 1.794 -13.272 1.00 15.30 H new ATOM 0 HZ2 LYS A 49 -7.659 3.074 -14.231 1.00 15.30 H new ATOM 0 HZ3 LYS A 49 -6.833 2.642 -12.811 1.00 15.30 H new ATOM 823 N ILE A 50 -3.236 7.358 -10.277 1.00 24.14 N ATOM 824 CA ILE A 50 -2.579 8.210 -9.302 1.00 34.42 C ATOM 825 C ILE A 50 -1.528 9.101 -9.962 1.00 70.43 C ATOM 826 O ILE A 50 -1.472 10.300 -9.703 1.00 41.12 O ATOM 827 CB ILE A 50 -1.928 7.376 -8.172 1.00 43.43 C ATOM 828 CG1 ILE A 50 -2.994 6.524 -7.473 1.00 40.20 C ATOM 829 CG2 ILE A 50 -1.226 8.285 -7.164 1.00 11.45 C ATOM 830 CD1 ILE A 50 -2.434 5.540 -6.471 1.00 60.40 C ATOM 0 H ILE A 50 -3.013 6.367 -10.189 1.00 24.14 H new ATOM 0 HA ILE A 50 -3.348 8.846 -8.864 1.00 34.42 H new ATOM 0 HB ILE A 50 -1.179 6.717 -8.612 1.00 43.43 H new ATOM 0 HG12 ILE A 50 -3.697 7.184 -6.965 1.00 40.20 H new ATOM 0 HG13 ILE A 50 -3.559 5.977 -8.227 1.00 40.20 H new ATOM 0 HG21 ILE A 50 -0.776 7.678 -6.379 1.00 11.45 H new ATOM 0 HG22 ILE A 50 -0.449 8.858 -7.670 1.00 11.45 H new ATOM 0 HG23 ILE A 50 -1.952 8.968 -6.723 1.00 11.45 H new ATOM 0 HD11 ILE A 50 -3.250 4.976 -6.020 1.00 60.40 H new ATOM 0 HD12 ILE A 50 -1.754 4.854 -6.976 1.00 60.40 H new ATOM 0 HD13 ILE A 50 -1.893 6.080 -5.694 1.00 60.40 H new ATOM 842 N LYS A 51 -0.715 8.520 -10.834 1.00 23.11 N ATOM 843 CA LYS A 51 0.349 9.275 -11.494 1.00 12.12 C ATOM 844 C LYS A 51 -0.206 10.317 -12.464 1.00 43.35 C ATOM 845 O LYS A 51 0.299 11.436 -12.529 1.00 55.22 O ATOM 846 CB LYS A 51 1.321 8.341 -12.221 1.00 52.14 C ATOM 847 CG LYS A 51 2.119 7.425 -11.295 1.00 11.40 C ATOM 848 CD LYS A 51 3.111 8.200 -10.419 1.00 23.51 C ATOM 849 CE LYS A 51 4.461 8.421 -11.114 1.00 62.00 C ATOM 850 NZ LYS A 51 4.367 9.297 -12.312 1.00 24.04 N ATOM 0 H LYS A 51 -0.768 7.537 -11.101 1.00 23.11 H new ATOM 0 HA LYS A 51 0.892 9.804 -10.711 1.00 12.12 H new ATOM 0 HB2 LYS A 51 0.759 7.727 -12.925 1.00 52.14 H new ATOM 0 HB3 LYS A 51 2.016 8.943 -12.806 1.00 52.14 H new ATOM 0 HG2 LYS A 51 1.432 6.870 -10.657 1.00 11.40 H new ATOM 0 HG3 LYS A 51 2.661 6.692 -11.892 1.00 11.40 H new ATOM 0 HD2 LYS A 51 2.680 9.166 -10.155 1.00 23.51 H new ATOM 0 HD3 LYS A 51 3.270 7.656 -9.488 1.00 23.51 H new ATOM 0 HE2 LYS A 51 5.160 8.862 -10.403 1.00 62.00 H new ATOM 0 HE3 LYS A 51 4.873 7.456 -11.409 1.00 62.00 H new ATOM 0 HZ1 LYS A 51 5.307 9.682 -12.535 1.00 24.04 H new ATOM 0 HZ2 LYS A 51 4.019 8.743 -13.121 1.00 24.04 H new ATOM 0 HZ3 LYS A 51 3.709 10.079 -12.119 1.00 24.04 H new ATOM 864 N SER A 52 -1.243 9.957 -13.206 1.00 23.24 N ATOM 865 CA SER A 52 -1.824 10.878 -14.172 1.00 44.32 C ATOM 866 C SER A 52 -2.766 11.877 -13.491 1.00 11.43 C ATOM 867 O SER A 52 -2.889 13.027 -13.929 1.00 21.42 O ATOM 868 CB SER A 52 -2.547 10.103 -15.277 1.00 15.54 C ATOM 869 OG SER A 52 -3.199 10.975 -16.189 1.00 74.23 O ATOM 0 H SER A 52 -1.695 9.044 -13.159 1.00 23.24 H new ATOM 0 HA SER A 52 -1.015 11.451 -14.626 1.00 44.32 H new ATOM 0 HB2 SER A 52 -1.830 9.483 -15.815 1.00 15.54 H new ATOM 0 HB3 SER A 52 -3.279 9.430 -14.830 1.00 15.54 H new ATOM 0 HG SER A 52 -4.161 10.786 -16.192 1.00 74.23 H new ATOM 875 N GLY A 53 -3.407 11.453 -12.415 1.00 14.41 N ATOM 876 CA GLY A 53 -4.273 12.349 -11.679 1.00 70.44 C ATOM 877 C GLY A 53 -5.755 12.106 -11.922 1.00 70.31 C ATOM 878 O GLY A 53 -6.550 13.050 -11.908 1.00 63.53 O ATOM 0 H GLY A 53 -3.344 10.507 -12.038 1.00 14.41 H new ATOM 0 HA2 GLY A 53 -4.067 12.245 -10.614 1.00 70.44 H new ATOM 0 HA3 GLY A 53 -4.033 13.377 -11.951 1.00 70.44 H new ATOM 882 N GLU A 54 -6.134 10.856 -12.145 1.00 54.12 N ATOM 883 CA GLU A 54 -7.542 10.517 -12.339 1.00 41.44 C ATOM 884 C GLU A 54 -8.258 10.421 -11.002 1.00 12.32 C ATOM 885 O GLU A 54 -9.278 11.070 -10.787 1.00 34.12 O ATOM 886 CB GLU A 54 -7.713 9.194 -13.100 1.00 30.42 C ATOM 887 CG GLU A 54 -7.451 9.274 -14.596 1.00 33.25 C ATOM 888 CD GLU A 54 -6.010 9.549 -14.928 1.00 42.31 C ATOM 889 OE1 GLU A 54 -5.737 10.531 -15.655 1.00 73.14 O ATOM 890 OE2 GLU A 54 -5.143 8.785 -14.475 1.00 23.43 O ATOM 0 H GLU A 54 -5.494 10.063 -12.196 1.00 54.12 H new ATOM 0 HA GLU A 54 -7.982 11.316 -12.936 1.00 41.44 H new ATOM 0 HB2 GLU A 54 -7.040 8.454 -12.668 1.00 30.42 H new ATOM 0 HB3 GLU A 54 -8.729 8.831 -12.943 1.00 30.42 H new ATOM 0 HG2 GLU A 54 -7.753 8.336 -15.062 1.00 33.25 H new ATOM 0 HG3 GLU A 54 -8.073 10.059 -15.026 1.00 33.25 H new ATOM 897 N GLU A 55 -7.713 9.615 -10.103 1.00 31.23 N ATOM 898 CA GLU A 55 -8.320 9.405 -8.799 1.00 34.51 C ATOM 899 C GLU A 55 -7.293 9.565 -7.692 1.00 51.33 C ATOM 900 O GLU A 55 -6.098 9.334 -7.900 1.00 64.24 O ATOM 901 CB GLU A 55 -8.972 8.018 -8.725 1.00 14.11 C ATOM 902 CG GLU A 55 -10.108 7.823 -9.718 1.00 24.22 C ATOM 903 CD GLU A 55 -10.809 6.494 -9.562 1.00 1.13 C ATOM 904 OE1 GLU A 55 -10.621 5.608 -10.424 1.00 0.21 O ATOM 905 OE2 GLU A 55 -11.573 6.332 -8.591 1.00 34.22 O ATOM 0 H GLU A 55 -6.849 9.095 -10.254 1.00 31.23 H new ATOM 0 HA GLU A 55 -9.093 10.161 -8.661 1.00 34.51 H new ATOM 0 HB2 GLU A 55 -8.211 7.258 -8.903 1.00 14.11 H new ATOM 0 HB3 GLU A 55 -9.352 7.858 -7.716 1.00 14.11 H new ATOM 0 HG2 GLU A 55 -10.834 8.627 -9.593 1.00 24.22 H new ATOM 0 HG3 GLU A 55 -9.715 7.903 -10.731 1.00 24.22 H new ATOM 912 N ASP A 56 -7.759 9.966 -6.523 1.00 40.54 N ATOM 913 CA ASP A 56 -6.889 10.170 -5.372 1.00 42.42 C ATOM 914 C ASP A 56 -6.593 8.855 -4.692 1.00 25.12 C ATOM 915 O ASP A 56 -7.482 8.006 -4.550 1.00 45.14 O ATOM 916 CB ASP A 56 -7.535 11.114 -4.348 1.00 13.43 C ATOM 917 CG ASP A 56 -7.751 12.515 -4.866 1.00 15.44 C ATOM 918 OD1 ASP A 56 -6.778 13.298 -4.903 1.00 12.42 O ATOM 919 OD2 ASP A 56 -8.903 12.850 -5.217 1.00 11.33 O ATOM 0 H ASP A 56 -8.744 10.159 -6.342 1.00 40.54 H new ATOM 0 HA ASP A 56 -5.965 10.615 -5.740 1.00 42.42 H new ATOM 0 HB2 ASP A 56 -8.494 10.699 -4.039 1.00 13.43 H new ATOM 0 HB3 ASP A 56 -6.905 11.158 -3.459 1.00 13.43 H new ATOM 924 N PHE A 57 -5.359 8.690 -4.252 1.00 13.21 N ATOM 925 CA PHE A 57 -4.961 7.501 -3.525 1.00 2.11 C ATOM 926 C PHE A 57 -5.762 7.405 -2.237 1.00 35.21 C ATOM 927 O PHE A 57 -6.103 6.318 -1.784 1.00 73.55 O ATOM 928 CB PHE A 57 -3.459 7.532 -3.215 1.00 0.23 C ATOM 929 CG PHE A 57 -2.983 6.355 -2.407 1.00 4.44 C ATOM 930 CD1 PHE A 57 -2.639 6.505 -1.073 1.00 42.10 C ATOM 931 CD2 PHE A 57 -2.890 5.099 -2.979 1.00 64.13 C ATOM 932 CE1 PHE A 57 -2.211 5.424 -0.330 1.00 55.15 C ATOM 933 CE2 PHE A 57 -2.462 4.016 -2.241 1.00 23.20 C ATOM 934 CZ PHE A 57 -2.121 4.178 -0.915 1.00 43.12 C ATOM 0 H PHE A 57 -4.611 9.370 -4.387 1.00 13.21 H new ATOM 0 HA PHE A 57 -5.161 6.625 -4.142 1.00 2.11 H new ATOM 0 HB2 PHE A 57 -2.904 7.566 -4.153 1.00 0.23 H new ATOM 0 HB3 PHE A 57 -3.228 8.450 -2.674 1.00 0.23 H new ATOM 0 HD1 PHE A 57 -2.707 7.478 -0.610 1.00 42.10 H new ATOM 0 HD2 PHE A 57 -3.156 4.965 -4.017 1.00 64.13 H new ATOM 0 HE1 PHE A 57 -1.947 5.553 0.709 1.00 55.15 H new ATOM 0 HE2 PHE A 57 -2.394 3.041 -2.701 1.00 23.20 H new ATOM 0 HZ PHE A 57 -1.784 3.331 -0.336 1.00 43.12 H new ATOM 944 N GLU A 58 -6.074 8.564 -1.673 1.00 64.32 N ATOM 945 CA GLU A 58 -6.861 8.658 -0.448 1.00 61.43 C ATOM 946 C GLU A 58 -8.208 7.952 -0.617 1.00 72.51 C ATOM 947 O GLU A 58 -8.677 7.257 0.284 1.00 22.50 O ATOM 948 CB GLU A 58 -7.105 10.126 -0.102 1.00 25.35 C ATOM 949 CG GLU A 58 -5.850 10.983 -0.100 1.00 12.31 C ATOM 950 CD GLU A 58 -4.832 10.526 0.916 1.00 23.43 C ATOM 951 OE1 GLU A 58 -5.087 10.689 2.124 1.00 53.34 O ATOM 952 OE2 GLU A 58 -3.771 10.022 0.517 1.00 4.41 O ATOM 0 H GLU A 58 -5.789 9.467 -2.051 1.00 64.32 H new ATOM 0 HA GLU A 58 -6.305 8.175 0.356 1.00 61.43 H new ATOM 0 HB2 GLU A 58 -7.815 10.543 -0.817 1.00 25.35 H new ATOM 0 HB3 GLU A 58 -7.572 10.183 0.881 1.00 25.35 H new ATOM 0 HG2 GLU A 58 -5.400 10.963 -1.093 1.00 12.31 H new ATOM 0 HG3 GLU A 58 -6.123 12.018 0.106 1.00 12.31 H new ATOM 959 N SER A 59 -8.810 8.130 -1.783 1.00 13.03 N ATOM 960 CA SER A 59 -10.104 7.541 -2.080 1.00 12.11 C ATOM 961 C SER A 59 -9.972 6.039 -2.351 1.00 1.34 C ATOM 962 O SER A 59 -10.879 5.259 -2.056 1.00 34.53 O ATOM 963 CB SER A 59 -10.736 8.251 -3.288 1.00 62.04 C ATOM 964 OG SER A 59 -12.062 7.806 -3.520 1.00 1.14 O ATOM 0 H SER A 59 -8.417 8.683 -2.545 1.00 13.03 H new ATOM 0 HA SER A 59 -10.751 7.670 -1.213 1.00 12.11 H new ATOM 0 HB2 SER A 59 -10.737 9.328 -3.118 1.00 62.04 H new ATOM 0 HB3 SER A 59 -10.130 8.069 -4.176 1.00 62.04 H new ATOM 0 HG SER A 59 -12.435 8.278 -4.294 1.00 1.14 H new ATOM 970 N LEU A 60 -8.838 5.641 -2.897 1.00 72.54 N ATOM 971 CA LEU A 60 -8.598 4.243 -3.221 1.00 74.31 C ATOM 972 C LEU A 60 -8.252 3.441 -1.967 1.00 20.51 C ATOM 973 O LEU A 60 -8.786 2.351 -1.744 1.00 1.40 O ATOM 974 CB LEU A 60 -7.467 4.122 -4.249 1.00 45.25 C ATOM 975 CG LEU A 60 -7.654 4.921 -5.546 1.00 40.21 C ATOM 976 CD1 LEU A 60 -6.450 4.753 -6.457 1.00 43.15 C ATOM 977 CD2 LEU A 60 -8.927 4.499 -6.263 1.00 15.23 C ATOM 0 H LEU A 60 -8.065 6.266 -3.127 1.00 72.54 H new ATOM 0 HA LEU A 60 -9.514 3.834 -3.648 1.00 74.31 H new ATOM 0 HB2 LEU A 60 -6.538 4.443 -3.778 1.00 45.25 H new ATOM 0 HB3 LEU A 60 -7.347 3.070 -4.507 1.00 45.25 H new ATOM 0 HG LEU A 60 -7.744 5.975 -5.284 1.00 40.21 H new ATOM 0 HD11 LEU A 60 -6.602 5.327 -7.371 1.00 43.15 H new ATOM 0 HD12 LEU A 60 -5.556 5.112 -5.948 1.00 43.15 H new ATOM 0 HD13 LEU A 60 -6.327 3.699 -6.707 1.00 43.15 H new ATOM 0 HD21 LEU A 60 -9.038 5.079 -7.179 1.00 15.23 H new ATOM 0 HD22 LEU A 60 -8.871 3.439 -6.509 1.00 15.23 H new ATOM 0 HD23 LEU A 60 -9.785 4.676 -5.615 1.00 15.23 H new ATOM 989 N ALA A 61 -7.381 4.003 -1.141 1.00 33.25 N ATOM 990 CA ALA A 61 -6.907 3.338 0.070 1.00 51.24 C ATOM 991 C ALA A 61 -7.998 3.204 1.129 1.00 53.11 C ATOM 992 O ALA A 61 -7.866 2.420 2.065 1.00 54.14 O ATOM 993 CB ALA A 61 -5.702 4.070 0.638 1.00 64.20 C ATOM 0 H ALA A 61 -6.982 4.930 -1.288 1.00 33.25 H new ATOM 0 HA ALA A 61 -6.614 2.327 -0.214 1.00 51.24 H new ATOM 0 HB1 ALA A 61 -5.360 3.563 1.540 1.00 64.20 H new ATOM 0 HB2 ALA A 61 -4.900 4.078 -0.100 1.00 64.20 H new ATOM 0 HB3 ALA A 61 -5.981 5.095 0.882 1.00 64.20 H new ATOM 999 N SER A 62 -9.068 3.959 0.981 1.00 24.32 N ATOM 1000 CA SER A 62 -10.164 3.905 1.935 1.00 45.31 C ATOM 1001 C SER A 62 -11.256 2.938 1.477 1.00 21.10 C ATOM 1002 O SER A 62 -12.300 2.817 2.122 1.00 74.33 O ATOM 1003 CB SER A 62 -10.745 5.303 2.150 1.00 44.23 C ATOM 1004 OG SER A 62 -10.938 5.969 0.914 1.00 1.04 O ATOM 0 H SER A 62 -9.205 4.616 0.213 1.00 24.32 H new ATOM 0 HA SER A 62 -9.769 3.535 2.881 1.00 45.31 H new ATOM 0 HB2 SER A 62 -11.695 5.228 2.679 1.00 44.23 H new ATOM 0 HB3 SER A 62 -10.074 5.886 2.781 1.00 44.23 H new ATOM 0 HG SER A 62 -10.162 6.536 0.723 1.00 1.04 H new ATOM 1010 N GLN A 63 -11.013 2.246 0.368 1.00 44.33 N ATOM 1011 CA GLN A 63 -12.005 1.319 -0.171 1.00 1.22 C ATOM 1012 C GLN A 63 -11.387 -0.012 -0.587 1.00 64.33 C ATOM 1013 O GLN A 63 -11.923 -1.072 -0.280 1.00 61.11 O ATOM 1014 CB GLN A 63 -12.717 1.938 -1.376 1.00 21.42 C ATOM 1015 CG GLN A 63 -13.505 3.195 -1.064 1.00 32.24 C ATOM 1016 CD GLN A 63 -14.176 3.769 -2.291 1.00 34.42 C ATOM 1017 OE1 GLN A 63 -15.312 3.421 -2.612 1.00 74.01 O ATOM 1018 NE2 GLN A 63 -13.485 4.646 -2.983 1.00 12.14 N ATOM 0 H GLN A 63 -10.149 2.307 -0.170 1.00 44.33 H new ATOM 0 HA GLN A 63 -12.721 1.127 0.628 1.00 1.22 H new ATOM 0 HB2 GLN A 63 -11.975 2.170 -2.140 1.00 21.42 H new ATOM 0 HB3 GLN A 63 -13.393 1.197 -1.802 1.00 21.42 H new ATOM 0 HG2 GLN A 63 -14.260 2.970 -0.311 1.00 32.24 H new ATOM 0 HG3 GLN A 63 -12.838 3.942 -0.634 1.00 32.24 H new ATOM 0 HE21 GLN A 63 -12.546 4.907 -2.682 1.00 12.14 H new ATOM 0 HE22 GLN A 63 -13.887 5.066 -3.821 1.00 12.14 H new ATOM 1027 N PHE A 64 -10.258 0.048 -1.278 1.00 21.53 N ATOM 1028 CA PHE A 64 -9.641 -1.155 -1.831 1.00 34.12 C ATOM 1029 C PHE A 64 -8.622 -1.792 -0.886 1.00 54.23 C ATOM 1030 O PHE A 64 -7.953 -2.752 -1.253 1.00 1.55 O ATOM 1031 CB PHE A 64 -8.994 -0.846 -3.182 1.00 74.14 C ATOM 1032 CG PHE A 64 -9.965 -0.332 -4.210 1.00 44.44 C ATOM 1033 CD1 PHE A 64 -10.832 -1.197 -4.855 1.00 62.13 C ATOM 1034 CD2 PHE A 64 -10.007 1.014 -4.530 1.00 74.55 C ATOM 1035 CE1 PHE A 64 -11.724 -0.729 -5.801 1.00 0.14 C ATOM 1036 CE2 PHE A 64 -10.897 1.488 -5.474 1.00 40.34 C ATOM 1037 CZ PHE A 64 -11.756 0.616 -6.110 1.00 1.31 C ATOM 0 H PHE A 64 -9.750 0.911 -1.470 1.00 21.53 H new ATOM 0 HA PHE A 64 -10.440 -1.884 -1.967 1.00 34.12 H new ATOM 0 HB2 PHE A 64 -8.205 -0.107 -3.038 1.00 74.14 H new ATOM 0 HB3 PHE A 64 -8.518 -1.750 -3.563 1.00 74.14 H new ATOM 0 HD1 PHE A 64 -10.811 -2.250 -4.616 1.00 62.13 H new ATOM 0 HD2 PHE A 64 -9.336 1.701 -4.036 1.00 74.55 H new ATOM 0 HE1 PHE A 64 -12.395 -1.414 -6.298 1.00 0.14 H new ATOM 0 HE2 PHE A 64 -10.920 2.541 -5.714 1.00 40.34 H new ATOM 0 HZ PHE A 64 -12.452 0.985 -6.848 1.00 1.31 H new ATOM 1047 N SER A 65 -8.503 -1.266 0.316 1.00 55.41 N ATOM 1048 CA SER A 65 -7.585 -1.837 1.288 1.00 23.11 C ATOM 1049 C SER A 65 -8.262 -2.956 2.065 1.00 21.21 C ATOM 1050 O SER A 65 -9.232 -2.721 2.785 1.00 40.33 O ATOM 1051 CB SER A 65 -7.078 -0.770 2.258 1.00 32.11 C ATOM 1052 OG SER A 65 -6.349 0.234 1.582 1.00 54.10 O ATOM 0 H SER A 65 -9.023 -0.452 0.644 1.00 55.41 H new ATOM 0 HA SER A 65 -6.733 -2.243 0.743 1.00 23.11 H new ATOM 0 HB2 SER A 65 -7.922 -0.320 2.780 1.00 32.11 H new ATOM 0 HB3 SER A 65 -6.446 -1.234 3.015 1.00 32.11 H new ATOM 0 HG SER A 65 -6.744 1.110 1.774 1.00 54.10 H new ATOM 1058 N ASP A 66 -7.757 -4.177 1.905 1.00 32.42 N ATOM 1059 CA ASP A 66 -8.298 -5.332 2.622 1.00 11.11 C ATOM 1060 C ASP A 66 -8.005 -5.227 4.111 1.00 10.23 C ATOM 1061 O ASP A 66 -8.647 -5.886 4.932 1.00 41.13 O ATOM 1062 CB ASP A 66 -7.727 -6.644 2.074 1.00 51.31 C ATOM 1063 CG ASP A 66 -8.349 -7.077 0.757 1.00 43.02 C ATOM 1064 OD1 ASP A 66 -9.591 -7.247 0.699 1.00 13.42 O ATOM 1065 OD2 ASP A 66 -7.599 -7.283 -0.211 1.00 11.33 O ATOM 0 H ASP A 66 -6.975 -4.393 1.287 1.00 32.42 H new ATOM 0 HA ASP A 66 -9.377 -5.334 2.471 1.00 11.11 H new ATOM 0 HB2 ASP A 66 -6.651 -6.533 1.939 1.00 51.31 H new ATOM 0 HB3 ASP A 66 -7.876 -7.432 2.813 1.00 51.31 H new ATOM 1070 N CYS A 67 -7.024 -4.407 4.450 1.00 11.15 N ATOM 1071 CA CYS A 67 -6.660 -4.174 5.832 1.00 34.44 C ATOM 1072 C CYS A 67 -7.612 -3.169 6.476 1.00 24.11 C ATOM 1073 O CYS A 67 -8.401 -2.514 5.788 1.00 72.24 O ATOM 1074 CB CYS A 67 -5.217 -3.681 5.918 1.00 4.13 C ATOM 1075 SG CYS A 67 -4.787 -2.442 4.675 1.00 24.35 S ATOM 0 H CYS A 67 -6.462 -3.888 3.776 1.00 11.15 H new ATOM 0 HA CYS A 67 -6.740 -5.114 6.378 1.00 34.44 H new ATOM 0 HB2 CYS A 67 -5.046 -3.261 6.909 1.00 4.13 H new ATOM 0 HB3 CYS A 67 -4.546 -4.534 5.813 1.00 4.13 H new ATOM 0 HG CYS A 67 -5.197 -1.273 5.068 1.00 24.35 H new ATOM 1081 N SER A 68 -7.526 -3.035 7.785 1.00 71.54 N ATOM 1082 CA SER A 68 -8.419 -2.156 8.522 1.00 34.32 C ATOM 1083 C SER A 68 -7.970 -0.685 8.449 1.00 45.34 C ATOM 1084 O SER A 68 -8.576 0.184 9.066 1.00 55.13 O ATOM 1085 CB SER A 68 -8.519 -2.613 9.983 1.00 14.02 C ATOM 1086 OG SER A 68 -9.502 -1.871 10.687 1.00 12.21 O ATOM 0 H SER A 68 -6.844 -3.525 8.364 1.00 71.54 H new ATOM 0 HA SER A 68 -9.403 -2.218 8.056 1.00 34.32 H new ATOM 0 HB2 SER A 68 -8.766 -3.674 10.019 1.00 14.02 H new ATOM 0 HB3 SER A 68 -7.552 -2.494 10.471 1.00 14.02 H new ATOM 0 HG SER A 68 -9.546 -2.184 11.615 1.00 12.21 H new ATOM 1092 N SER A 69 -6.922 -0.415 7.690 1.00 45.22 N ATOM 1093 CA SER A 69 -6.418 0.943 7.539 1.00 30.25 C ATOM 1094 C SER A 69 -7.353 1.794 6.689 1.00 51.41 C ATOM 1095 O SER A 69 -7.299 3.021 6.738 1.00 34.24 O ATOM 1096 CB SER A 69 -5.010 0.939 6.945 1.00 65.32 C ATOM 1097 OG SER A 69 -4.989 0.298 5.678 1.00 55.40 O ATOM 0 H SER A 69 -6.401 -1.119 7.167 1.00 45.22 H new ATOM 0 HA SER A 69 -6.373 1.387 8.533 1.00 30.25 H new ATOM 0 HB2 SER A 69 -4.653 1.964 6.843 1.00 65.32 H new ATOM 0 HB3 SER A 69 -4.327 0.429 7.625 1.00 65.32 H new ATOM 0 HG SER A 69 -4.088 -0.044 5.499 1.00 55.40 H new ATOM 1103 N ALA A 70 -8.191 1.129 5.891 1.00 44.35 N ATOM 1104 CA ALA A 70 -9.132 1.804 4.992 1.00 50.50 C ATOM 1105 C ALA A 70 -9.956 2.870 5.716 1.00 2.32 C ATOM 1106 O ALA A 70 -10.201 3.946 5.173 1.00 24.14 O ATOM 1107 CB ALA A 70 -10.052 0.790 4.335 1.00 63.23 C ATOM 0 H ALA A 70 -8.237 0.111 5.849 1.00 44.35 H new ATOM 0 HA ALA A 70 -8.543 2.309 4.226 1.00 50.50 H new ATOM 0 HB1 ALA A 70 -10.745 1.305 3.670 1.00 63.23 H new ATOM 0 HB2 ALA A 70 -9.459 0.079 3.760 1.00 63.23 H new ATOM 0 HB3 ALA A 70 -10.613 0.257 5.102 1.00 63.23 H new ATOM 1113 N LYS A 71 -10.363 2.571 6.951 1.00 14.51 N ATOM 1114 CA LYS A 71 -11.160 3.504 7.751 1.00 23.11 C ATOM 1115 C LYS A 71 -10.406 4.812 8.015 1.00 4.12 C ATOM 1116 O LYS A 71 -11.015 5.856 8.244 1.00 50.32 O ATOM 1117 CB LYS A 71 -11.587 2.858 9.078 1.00 34.24 C ATOM 1118 CG LYS A 71 -10.427 2.420 9.961 1.00 43.51 C ATOM 1119 CD LYS A 71 -10.917 1.696 11.206 1.00 63.20 C ATOM 1120 CE LYS A 71 -9.758 1.142 12.025 1.00 34.23 C ATOM 1121 NZ LYS A 71 -8.885 2.213 12.565 1.00 4.00 N ATOM 0 H LYS A 71 -10.154 1.689 7.420 1.00 14.51 H new ATOM 0 HA LYS A 71 -12.053 3.744 7.174 1.00 23.11 H new ATOM 0 HB2 LYS A 71 -12.203 3.566 9.632 1.00 34.24 H new ATOM 0 HB3 LYS A 71 -12.212 1.992 8.863 1.00 34.24 H new ATOM 0 HG2 LYS A 71 -9.765 1.765 9.395 1.00 43.51 H new ATOM 0 HG3 LYS A 71 -9.841 3.292 10.253 1.00 43.51 H new ATOM 0 HD2 LYS A 71 -11.502 2.381 11.819 1.00 63.20 H new ATOM 0 HD3 LYS A 71 -11.581 0.881 10.916 1.00 63.20 H new ATOM 0 HE2 LYS A 71 -10.151 0.547 12.849 1.00 34.23 H new ATOM 0 HE3 LYS A 71 -9.164 0.472 11.403 1.00 34.23 H new ATOM 0 HZ1 LYS A 71 -8.162 1.793 13.183 1.00 4.00 H new ATOM 0 HZ2 LYS A 71 -8.421 2.712 11.779 1.00 4.00 H new ATOM 0 HZ3 LYS A 71 -9.459 2.886 13.112 1.00 4.00 H new ATOM 1135 N ALA A 72 -9.087 4.747 7.960 1.00 42.44 N ATOM 1136 CA ALA A 72 -8.250 5.909 8.196 1.00 4.40 C ATOM 1137 C ALA A 72 -7.576 6.358 6.903 1.00 21.10 C ATOM 1138 O ALA A 72 -6.504 6.968 6.927 1.00 42.15 O ATOM 1139 CB ALA A 72 -7.210 5.592 9.257 1.00 42.23 C ATOM 0 H ALA A 72 -8.569 3.893 7.752 1.00 42.44 H new ATOM 0 HA ALA A 72 -8.878 6.726 8.552 1.00 4.40 H new ATOM 0 HB1 ALA A 72 -6.586 6.469 9.428 1.00 42.23 H new ATOM 0 HB2 ALA A 72 -7.710 5.315 10.185 1.00 42.23 H new ATOM 0 HB3 ALA A 72 -6.587 4.764 8.920 1.00 42.23 H new ATOM 1145 N ARG A 73 -8.212 6.032 5.767 1.00 72.11 N ATOM 1146 CA ARG A 73 -7.716 6.417 4.434 1.00 31.12 C ATOM 1147 C ARG A 73 -6.382 5.750 4.099 1.00 63.14 C ATOM 1148 O ARG A 73 -5.674 6.178 3.190 1.00 65.32 O ATOM 1149 CB ARG A 73 -7.603 7.942 4.317 1.00 5.20 C ATOM 1150 CG ARG A 73 -8.940 8.653 4.215 1.00 11.11 C ATOM 1151 CD ARG A 73 -8.807 10.143 4.494 1.00 13.32 C ATOM 1152 NE ARG A 73 -7.786 10.794 3.665 1.00 72.31 N ATOM 1153 CZ ARG A 73 -7.729 12.112 3.454 1.00 14.10 C ATOM 1154 NH1 ARG A 73 -8.652 12.910 3.975 1.00 61.51 N ATOM 1155 NH2 ARG A 73 -6.752 12.626 2.726 1.00 51.51 N ATOM 0 H ARG A 73 -9.080 5.497 5.745 1.00 72.11 H new ATOM 0 HA ARG A 73 -8.445 6.062 3.706 1.00 31.12 H new ATOM 0 HB2 ARG A 73 -7.065 8.324 5.185 1.00 5.20 H new ATOM 0 HB3 ARG A 73 -7.005 8.186 3.439 1.00 5.20 H new ATOM 0 HG2 ARG A 73 -9.356 8.505 3.218 1.00 11.11 H new ATOM 0 HG3 ARG A 73 -9.642 8.211 4.922 1.00 11.11 H new ATOM 0 HD2 ARG A 73 -9.769 10.626 4.322 1.00 13.32 H new ATOM 0 HD3 ARG A 73 -8.560 10.289 5.546 1.00 13.32 H new ATOM 0 HE ARG A 73 -7.079 10.206 3.224 1.00 72.31 H new ATOM 0 HH11 ARG A 73 -9.407 12.517 4.538 1.00 61.51 H new ATOM 0 HH12 ARG A 73 -8.607 13.916 3.813 1.00 61.51 H new ATOM 0 HH21 ARG A 73 -6.040 12.016 2.324 1.00 51.51 H new ATOM 0 HH22 ARG A 73 -6.710 13.633 2.566 1.00 51.51 H new ATOM 1169 N GLY A 74 -6.052 4.694 4.831 1.00 3.34 N ATOM 1170 CA GLY A 74 -4.824 3.967 4.576 1.00 25.34 C ATOM 1171 C GLY A 74 -3.613 4.618 5.210 1.00 62.45 C ATOM 1172 O GLY A 74 -2.503 4.088 5.126 1.00 52.13 O ATOM 0 H GLY A 74 -6.615 4.327 5.599 1.00 3.34 H new ATOM 0 HA2 GLY A 74 -4.924 2.950 4.955 1.00 25.34 H new ATOM 0 HA3 GLY A 74 -4.669 3.892 3.500 1.00 25.34 H new ATOM 1176 N ASP A 75 -3.823 5.752 5.848 1.00 61.11 N ATOM 1177 CA ASP A 75 -2.741 6.493 6.481 1.00 5.10 C ATOM 1178 C ASP A 75 -2.363 5.894 7.825 1.00 41.43 C ATOM 1179 O ASP A 75 -3.233 5.547 8.631 1.00 1.35 O ATOM 1180 CB ASP A 75 -3.129 7.958 6.647 1.00 23.41 C ATOM 1181 CG ASP A 75 -2.204 8.711 7.572 1.00 40.23 C ATOM 1182 OD1 ASP A 75 -2.686 9.249 8.591 1.00 40.11 O ATOM 1183 OD2 ASP A 75 -0.995 8.763 7.300 1.00 64.34 O ATOM 0 H ASP A 75 -4.741 6.187 5.944 1.00 61.11 H new ATOM 0 HA ASP A 75 -1.869 6.426 5.830 1.00 5.10 H new ATOM 0 HB2 ASP A 75 -3.129 8.441 5.670 1.00 23.41 H new ATOM 0 HB3 ASP A 75 -4.147 8.017 7.032 1.00 23.41 H new ATOM 1188 N LEU A 76 -1.065 5.767 8.058 1.00 65.43 N ATOM 1189 CA LEU A 76 -0.558 5.237 9.317 1.00 62.25 C ATOM 1190 C LEU A 76 -0.111 6.373 10.221 1.00 61.44 C ATOM 1191 O LEU A 76 0.159 6.170 11.409 1.00 55.23 O ATOM 1192 CB LEU A 76 0.639 4.282 9.092 1.00 3.42 C ATOM 1193 CG LEU A 76 0.381 3.004 8.277 1.00 74.11 C ATOM 1194 CD1 LEU A 76 -0.885 2.304 8.736 1.00 1.01 C ATOM 1195 CD2 LEU A 76 0.338 3.299 6.787 1.00 64.22 C ATOM 0 H LEU A 76 -0.340 6.025 7.389 1.00 65.43 H new ATOM 0 HA LEU A 76 -1.370 4.679 9.784 1.00 62.25 H new ATOM 0 HB2 LEU A 76 1.430 4.844 8.595 1.00 3.42 H new ATOM 0 HB3 LEU A 76 1.023 3.987 10.069 1.00 3.42 H new ATOM 0 HG LEU A 76 1.216 2.326 8.455 1.00 74.11 H new ATOM 0 HD11 LEU A 76 -1.040 1.404 8.140 1.00 1.01 H new ATOM 0 HD12 LEU A 76 -0.789 2.031 9.787 1.00 1.01 H new ATOM 0 HD13 LEU A 76 -1.736 2.973 8.611 1.00 1.01 H new ATOM 0 HD21 LEU A 76 0.154 2.375 6.238 1.00 64.22 H new ATOM 0 HD22 LEU A 76 -0.462 4.010 6.580 1.00 64.22 H new ATOM 0 HD23 LEU A 76 1.291 3.724 6.473 1.00 64.22 H new ATOM 1207 N GLY A 77 -0.043 7.568 9.660 1.00 54.32 N ATOM 1208 CA GLY A 77 0.446 8.699 10.401 1.00 13.24 C ATOM 1209 C GLY A 77 1.952 8.686 10.438 1.00 0.31 C ATOM 1210 O GLY A 77 2.583 7.992 9.640 1.00 43.51 O ATOM 0 H GLY A 77 -0.320 7.771 8.700 1.00 54.32 H new ATOM 0 HA2 GLY A 77 0.094 9.623 9.942 1.00 13.24 H new ATOM 0 HA3 GLY A 77 0.050 8.676 11.416 1.00 13.24 H new ATOM 1214 N ALA A 78 2.534 9.437 11.339 1.00 31.23 N ATOM 1215 CA ALA A 78 3.972 9.443 11.474 1.00 53.21 C ATOM 1216 C ALA A 78 4.409 8.242 12.293 1.00 53.14 C ATOM 1217 O ALA A 78 3.983 8.075 13.441 1.00 2.11 O ATOM 1218 CB ALA A 78 4.445 10.736 12.119 1.00 64.02 C ATOM 0 H ALA A 78 2.039 10.049 11.987 1.00 31.23 H new ATOM 0 HA ALA A 78 4.423 9.380 10.484 1.00 53.21 H new ATOM 0 HB1 ALA A 78 5.531 10.720 12.212 1.00 64.02 H new ATOM 0 HB2 ALA A 78 4.146 11.582 11.500 1.00 64.02 H new ATOM 0 HB3 ALA A 78 3.998 10.834 13.108 1.00 64.02 H new ATOM 1224 N PHE A 79 5.236 7.405 11.708 1.00 42.34 N ATOM 1225 CA PHE A 79 5.713 6.215 12.388 1.00 73.10 C ATOM 1226 C PHE A 79 7.217 6.080 12.258 1.00 22.51 C ATOM 1227 O PHE A 79 7.820 6.601 11.315 1.00 72.13 O ATOM 1228 CB PHE A 79 5.005 4.951 11.860 1.00 64.22 C ATOM 1229 CG PHE A 79 5.220 4.674 10.393 1.00 22.43 C ATOM 1230 CD1 PHE A 79 6.160 3.743 9.979 1.00 51.21 C ATOM 1231 CD2 PHE A 79 4.476 5.339 9.434 1.00 72.01 C ATOM 1232 CE1 PHE A 79 6.354 3.484 8.637 1.00 4.33 C ATOM 1233 CE2 PHE A 79 4.666 5.086 8.092 1.00 41.22 C ATOM 1234 CZ PHE A 79 5.606 4.157 7.691 1.00 34.33 C ATOM 0 H PHE A 79 5.595 7.524 10.761 1.00 42.34 H new ATOM 0 HA PHE A 79 5.472 6.320 13.446 1.00 73.10 H new ATOM 0 HB2 PHE A 79 5.352 4.091 12.433 1.00 64.22 H new ATOM 0 HB3 PHE A 79 3.935 5.047 12.045 1.00 64.22 H new ATOM 0 HD1 PHE A 79 6.747 3.214 10.715 1.00 51.21 H new ATOM 0 HD2 PHE A 79 3.738 6.065 9.741 1.00 72.01 H new ATOM 0 HE1 PHE A 79 7.090 2.756 8.327 1.00 4.33 H new ATOM 0 HE2 PHE A 79 4.080 5.614 7.355 1.00 41.22 H new ATOM 0 HZ PHE A 79 5.756 3.957 6.640 1.00 34.33 H new ATOM 1244 N SER A 80 7.811 5.397 13.209 1.00 33.44 N ATOM 1245 CA SER A 80 9.238 5.177 13.236 1.00 12.54 C ATOM 1246 C SER A 80 9.599 3.883 12.515 1.00 10.33 C ATOM 1247 O SER A 80 8.729 3.054 12.236 1.00 34.13 O ATOM 1248 CB SER A 80 9.707 5.129 14.690 1.00 51.31 C ATOM 1249 OG SER A 80 8.733 4.486 15.511 1.00 22.10 O ATOM 0 H SER A 80 7.313 4.975 13.992 1.00 33.44 H new ATOM 0 HA SER A 80 9.738 5.996 12.719 1.00 12.54 H new ATOM 0 HB2 SER A 80 10.655 4.595 14.755 1.00 51.31 H new ATOM 0 HB3 SER A 80 9.886 6.141 15.054 1.00 51.31 H new ATOM 0 HG SER A 80 9.050 4.463 16.438 1.00 22.10 H new ATOM 1255 N ARG A 81 10.875 3.712 12.203 1.00 31.32 N ATOM 1256 CA ARG A 81 11.323 2.499 11.549 1.00 62.02 C ATOM 1257 C ARG A 81 11.509 1.383 12.559 1.00 11.31 C ATOM 1258 O ARG A 81 11.857 1.625 13.717 1.00 3.24 O ATOM 1259 CB ARG A 81 12.607 2.720 10.759 1.00 40.51 C ATOM 1260 CG ARG A 81 12.437 3.604 9.544 1.00 75.35 C ATOM 1261 CD ARG A 81 13.586 3.436 8.572 1.00 62.14 C ATOM 1262 NE ARG A 81 13.673 2.062 8.060 1.00 52.11 N ATOM 1263 CZ ARG A 81 14.390 1.696 6.992 1.00 0.44 C ATOM 1264 NH1 ARG A 81 15.059 2.599 6.285 1.00 34.22 N ATOM 1265 NH2 ARG A 81 14.438 0.423 6.634 1.00 61.13 N ATOM 0 H ARG A 81 11.610 4.393 12.391 1.00 31.32 H new ATOM 0 HA ARG A 81 10.547 2.208 10.841 1.00 62.02 H new ATOM 0 HB2 ARG A 81 13.354 3.164 11.417 1.00 40.51 H new ATOM 0 HB3 ARG A 81 12.997 1.753 10.441 1.00 40.51 H new ATOM 0 HG2 ARG A 81 11.498 3.362 9.045 1.00 75.35 H new ATOM 0 HG3 ARG A 81 12.373 4.646 9.857 1.00 75.35 H new ATOM 0 HD2 ARG A 81 13.460 4.127 7.738 1.00 62.14 H new ATOM 0 HD3 ARG A 81 14.521 3.699 9.066 1.00 62.14 H new ATOM 0 HE ARG A 81 13.151 1.337 8.553 1.00 52.11 H new ATOM 0 HH11 ARG A 81 15.029 3.582 6.555 1.00 34.22 H new ATOM 0 HH12 ARG A 81 15.603 2.309 5.472 1.00 34.22 H new ATOM 0 HH21 ARG A 81 13.929 -0.278 7.172 1.00 61.13 H new ATOM 0 HH22 ARG A 81 14.984 0.142 5.820 1.00 61.13 H new ATOM 1279 N GLY A 82 11.277 0.167 12.113 1.00 74.00 N ATOM 1280 CA GLY A 82 11.358 -0.983 12.971 1.00 72.13 C ATOM 1281 C GLY A 82 9.983 -1.511 13.273 1.00 61.51 C ATOM 1282 O GLY A 82 9.789 -2.282 14.211 1.00 73.33 O ATOM 0 H GLY A 82 11.028 -0.046 11.147 1.00 74.00 H new ATOM 0 HA2 GLY A 82 11.956 -1.759 12.493 1.00 72.13 H new ATOM 0 HA3 GLY A 82 11.864 -0.717 13.899 1.00 72.13 H new ATOM 1286 N GLN A 83 9.019 -1.094 12.465 1.00 30.03 N ATOM 1287 CA GLN A 83 7.631 -1.476 12.667 1.00 44.14 C ATOM 1288 C GLN A 83 7.120 -2.322 11.506 1.00 33.25 C ATOM 1289 O GLN A 83 6.250 -3.181 11.685 1.00 14.33 O ATOM 1290 CB GLN A 83 6.752 -0.225 12.815 1.00 5.21 C ATOM 1291 CG GLN A 83 7.224 0.754 13.887 1.00 62.25 C ATOM 1292 CD GLN A 83 7.249 0.156 15.283 1.00 5.32 C ATOM 1293 OE1 GLN A 83 6.335 -0.753 15.561 1.00 52.12 O flip ATOM 1294 NE2 GLN A 83 8.077 0.527 16.111 1.00 3.41 N flip ATOM 0 H GLN A 83 9.175 -0.488 11.660 1.00 30.03 H new ATOM 0 HA GLN A 83 7.577 -2.069 13.580 1.00 44.14 H new ATOM 0 HB2 GLN A 83 6.715 0.294 11.857 1.00 5.21 H new ATOM 0 HB3 GLN A 83 5.734 -0.537 13.048 1.00 5.21 H new ATOM 0 HG2 GLN A 83 8.224 1.105 13.633 1.00 62.25 H new ATOM 0 HG3 GLN A 83 6.570 1.626 13.885 1.00 62.25 H new ATOM 0 HE21 GLN A 83 8.769 1.233 15.859 1.00 3.41 H new ATOM 0 HE22 GLN A 83 8.072 0.129 17.050 1.00 3.41 H new ATOM 1303 N MET A 84 7.664 -2.087 10.318 1.00 51.23 N ATOM 1304 CA MET A 84 7.219 -2.797 9.125 1.00 74.43 C ATOM 1305 C MET A 84 8.363 -3.582 8.497 1.00 11.23 C ATOM 1306 O MET A 84 9.516 -3.474 8.930 1.00 54.11 O ATOM 1307 CB MET A 84 6.635 -1.812 8.104 1.00 24.13 C ATOM 1308 CG MET A 84 5.413 -1.049 8.600 1.00 45.02 C ATOM 1309 SD MET A 84 4.007 -2.124 8.958 1.00 54.32 S ATOM 1310 CE MET A 84 2.799 -0.921 9.510 1.00 64.23 C ATOM 0 H MET A 84 8.412 -1.413 10.155 1.00 51.23 H new ATOM 0 HA MET A 84 6.443 -3.502 9.423 1.00 74.43 H new ATOM 0 HB2 MET A 84 7.408 -1.096 7.824 1.00 24.13 H new ATOM 0 HB3 MET A 84 6.366 -2.360 7.201 1.00 24.13 H new ATOM 0 HG2 MET A 84 5.678 -0.495 9.501 1.00 45.02 H new ATOM 0 HG3 MET A 84 5.120 -0.315 7.849 1.00 45.02 H new ATOM 0 HE1 MET A 84 1.871 -1.430 9.769 1.00 64.23 H new ATOM 0 HE2 MET A 84 3.182 -0.396 10.385 1.00 64.23 H new ATOM 0 HE3 MET A 84 2.609 -0.204 8.712 1.00 64.23 H new ATOM 1320 N GLN A 85 8.042 -4.373 7.477 1.00 74.23 N ATOM 1321 CA GLN A 85 9.041 -5.177 6.778 1.00 23.03 C ATOM 1322 C GLN A 85 10.000 -4.294 5.988 1.00 31.33 C ATOM 1323 O GLN A 85 9.642 -3.189 5.581 1.00 42.24 O ATOM 1324 CB GLN A 85 8.371 -6.189 5.845 1.00 3.44 C ATOM 1325 CG GLN A 85 7.514 -7.217 6.565 1.00 73.22 C ATOM 1326 CD GLN A 85 8.292 -8.006 7.601 1.00 35.32 C ATOM 1327 OE1 GLN A 85 9.497 -8.227 7.462 1.00 63.05 O ATOM 1328 NE2 GLN A 85 7.611 -8.436 8.641 1.00 24.11 N ATOM 0 H GLN A 85 7.094 -4.475 7.115 1.00 74.23 H new ATOM 0 HA GLN A 85 9.612 -5.720 7.531 1.00 23.03 H new ATOM 0 HB2 GLN A 85 7.751 -5.652 5.128 1.00 3.44 H new ATOM 0 HB3 GLN A 85 9.141 -6.708 5.275 1.00 3.44 H new ATOM 0 HG2 GLN A 85 6.679 -6.712 7.051 1.00 73.22 H new ATOM 0 HG3 GLN A 85 7.089 -7.905 5.834 1.00 73.22 H new ATOM 0 HE21 GLN A 85 6.615 -8.231 8.718 1.00 24.11 H new ATOM 0 HE22 GLN A 85 8.079 -8.974 9.370 1.00 24.11 H new ATOM 1337 N LYS A 86 11.207 -4.807 5.763 1.00 63.53 N ATOM 1338 CA LYS A 86 12.273 -4.081 5.061 1.00 73.34 C ATOM 1339 C LYS A 86 11.805 -3.430 3.736 1.00 13.22 C ATOM 1340 O LYS A 86 11.913 -2.213 3.589 1.00 72.43 O ATOM 1341 CB LYS A 86 13.482 -5.007 4.816 1.00 13.35 C ATOM 1342 CG LYS A 86 14.611 -4.373 4.012 1.00 10.10 C ATOM 1343 CD LYS A 86 15.268 -3.230 4.766 1.00 72.34 C ATOM 1344 CE LYS A 86 16.399 -2.610 3.960 1.00 40.33 C ATOM 1345 NZ LYS A 86 17.484 -3.583 3.673 1.00 74.22 N ATOM 0 H LYS A 86 11.479 -5.743 6.063 1.00 63.53 H new ATOM 0 HA LYS A 86 12.570 -3.260 5.714 1.00 73.34 H new ATOM 0 HB2 LYS A 86 13.876 -5.331 5.779 1.00 13.35 H new ATOM 0 HB3 LYS A 86 13.139 -5.901 4.295 1.00 13.35 H new ATOM 0 HG2 LYS A 86 15.359 -5.130 3.776 1.00 10.10 H new ATOM 0 HG3 LYS A 86 14.220 -4.005 3.063 1.00 10.10 H new ATOM 0 HD2 LYS A 86 14.523 -2.468 4.996 1.00 72.34 H new ATOM 0 HD3 LYS A 86 15.655 -3.595 5.717 1.00 72.34 H new ATOM 0 HE2 LYS A 86 16.003 -2.222 3.021 1.00 40.33 H new ATOM 0 HE3 LYS A 86 16.810 -1.762 4.507 1.00 40.33 H new ATOM 0 HZ1 LYS A 86 18.321 -3.076 3.322 1.00 74.22 H new ATOM 0 HZ2 LYS A 86 17.730 -4.096 4.544 1.00 74.22 H new ATOM 0 HZ3 LYS A 86 17.162 -4.260 2.952 1.00 74.22 H new ATOM 1359 N PRO A 87 11.265 -4.220 2.759 1.00 11.42 N ATOM 1360 CA PRO A 87 10.849 -3.685 1.448 1.00 73.35 C ATOM 1361 C PRO A 87 9.840 -2.541 1.560 1.00 75.30 C ATOM 1362 O PRO A 87 9.911 -1.568 0.817 1.00 53.45 O ATOM 1363 CB PRO A 87 10.201 -4.894 0.747 1.00 34.35 C ATOM 1364 CG PRO A 87 9.935 -5.881 1.835 1.00 32.01 C ATOM 1365 CD PRO A 87 11.017 -5.673 2.845 1.00 24.15 C ATOM 0 HA PRO A 87 11.697 -3.261 0.910 1.00 73.35 H new ATOM 0 HB2 PRO A 87 9.279 -4.608 0.241 1.00 34.35 H new ATOM 0 HB3 PRO A 87 10.864 -5.312 -0.010 1.00 34.35 H new ATOM 0 HG2 PRO A 87 8.951 -5.721 2.277 1.00 32.01 H new ATOM 0 HG3 PRO A 87 9.950 -6.901 1.450 1.00 32.01 H new ATOM 0 HD2 PRO A 87 10.701 -5.972 3.845 1.00 24.15 H new ATOM 0 HD3 PRO A 87 11.910 -6.251 2.607 1.00 24.15 H new ATOM 1373 N PHE A 88 8.912 -2.670 2.487 1.00 52.43 N ATOM 1374 CA PHE A 88 7.879 -1.668 2.676 1.00 72.22 C ATOM 1375 C PHE A 88 8.420 -0.445 3.415 1.00 3.44 C ATOM 1376 O PHE A 88 8.306 0.684 2.943 1.00 43.13 O ATOM 1377 CB PHE A 88 6.694 -2.274 3.448 1.00 51.53 C ATOM 1378 CG PHE A 88 5.572 -1.303 3.716 1.00 74.32 C ATOM 1379 CD1 PHE A 88 5.558 -0.537 4.874 1.00 14.11 C ATOM 1380 CD2 PHE A 88 4.536 -1.157 2.812 1.00 40.22 C ATOM 1381 CE1 PHE A 88 4.535 0.354 5.121 1.00 72.42 C ATOM 1382 CE2 PHE A 88 3.508 -0.267 3.055 1.00 70.04 C ATOM 1383 CZ PHE A 88 3.509 0.489 4.211 1.00 72.11 C ATOM 0 H PHE A 88 8.851 -3.463 3.125 1.00 52.43 H new ATOM 0 HA PHE A 88 7.539 -1.342 1.693 1.00 72.22 H new ATOM 0 HB2 PHE A 88 6.301 -3.120 2.884 1.00 51.53 H new ATOM 0 HB3 PHE A 88 7.056 -2.666 4.399 1.00 51.53 H new ATOM 0 HD1 PHE A 88 6.359 -0.640 5.591 1.00 14.11 H new ATOM 0 HD2 PHE A 88 4.531 -1.745 1.906 1.00 40.22 H new ATOM 0 HE1 PHE A 88 4.538 0.944 6.025 1.00 72.42 H new ATOM 0 HE2 PHE A 88 2.704 -0.162 2.342 1.00 70.04 H new ATOM 0 HZ PHE A 88 2.706 1.186 4.402 1.00 72.11 H new ATOM 1393 N GLU A 89 9.020 -0.693 4.559 1.00 62.40 N ATOM 1394 CA GLU A 89 9.493 0.361 5.438 1.00 11.44 C ATOM 1395 C GLU A 89 10.589 1.208 4.798 1.00 4.10 C ATOM 1396 O GLU A 89 10.525 2.435 4.824 1.00 4.12 O ATOM 1397 CB GLU A 89 9.996 -0.252 6.730 1.00 2.03 C ATOM 1398 CG GLU A 89 10.299 0.748 7.813 1.00 64.53 C ATOM 1399 CD GLU A 89 10.791 0.079 9.057 1.00 63.21 C ATOM 1400 OE1 GLU A 89 12.028 -0.036 9.228 1.00 22.44 O ATOM 1401 OE2 GLU A 89 9.955 -0.358 9.873 1.00 13.41 O ATOM 0 H GLU A 89 9.196 -1.635 4.910 1.00 62.40 H new ATOM 0 HA GLU A 89 8.654 1.027 5.638 1.00 11.44 H new ATOM 0 HB2 GLU A 89 9.250 -0.955 7.100 1.00 2.03 H new ATOM 0 HB3 GLU A 89 10.898 -0.826 6.519 1.00 2.03 H new ATOM 0 HG2 GLU A 89 11.049 1.454 7.458 1.00 64.53 H new ATOM 0 HG3 GLU A 89 9.401 1.324 8.039 1.00 64.53 H new ATOM 1408 N ASP A 90 11.583 0.557 4.212 1.00 23.32 N ATOM 1409 CA ASP A 90 12.707 1.282 3.624 1.00 12.31 C ATOM 1410 C ASP A 90 12.256 2.120 2.436 1.00 22.40 C ATOM 1411 O ASP A 90 12.824 3.175 2.151 1.00 70.21 O ATOM 1412 CB ASP A 90 13.830 0.327 3.211 1.00 3.32 C ATOM 1413 CG ASP A 90 15.097 1.065 2.827 1.00 61.22 C ATOM 1414 OD1 ASP A 90 15.466 1.042 1.639 1.00 42.12 O ATOM 1415 OD2 ASP A 90 15.725 1.682 3.721 1.00 73.21 O ATOM 0 H ASP A 90 11.638 -0.458 4.130 1.00 23.32 H new ATOM 0 HA ASP A 90 13.099 1.954 4.388 1.00 12.31 H new ATOM 0 HB2 ASP A 90 14.044 -0.356 4.033 1.00 3.32 H new ATOM 0 HB3 ASP A 90 13.497 -0.281 2.370 1.00 3.32 H new ATOM 1420 N ALA A 91 11.226 1.657 1.753 1.00 34.15 N ATOM 1421 CA ALA A 91 10.688 2.381 0.620 1.00 60.35 C ATOM 1422 C ALA A 91 9.876 3.583 1.088 1.00 54.52 C ATOM 1423 O ALA A 91 10.002 4.671 0.543 1.00 21.22 O ATOM 1424 CB ALA A 91 9.839 1.466 -0.248 1.00 12.14 C ATOM 0 H ALA A 91 10.746 0.782 1.964 1.00 34.15 H new ATOM 0 HA ALA A 91 11.522 2.744 0.019 1.00 60.35 H new ATOM 0 HB1 ALA A 91 9.444 2.030 -1.093 1.00 12.14 H new ATOM 0 HB2 ALA A 91 10.451 0.642 -0.615 1.00 12.14 H new ATOM 0 HB3 ALA A 91 9.012 1.070 0.341 1.00 12.14 H new ATOM 1430 N ALA A 92 9.069 3.384 2.127 1.00 12.15 N ATOM 1431 CA ALA A 92 8.216 4.447 2.672 1.00 25.21 C ATOM 1432 C ALA A 92 9.028 5.674 3.091 1.00 21.40 C ATOM 1433 O ALA A 92 8.545 6.804 3.031 1.00 2.32 O ATOM 1434 CB ALA A 92 7.406 3.922 3.850 1.00 35.35 C ATOM 0 H ALA A 92 8.985 2.492 2.614 1.00 12.15 H new ATOM 0 HA ALA A 92 7.536 4.760 1.880 1.00 25.21 H new ATOM 0 HB1 ALA A 92 6.778 4.721 4.244 1.00 35.35 H new ATOM 0 HB2 ALA A 92 6.777 3.095 3.520 1.00 35.35 H new ATOM 0 HB3 ALA A 92 8.083 3.574 4.630 1.00 35.35 H new ATOM 1440 N PHE A 93 10.262 5.443 3.500 1.00 50.25 N ATOM 1441 CA PHE A 93 11.140 6.520 3.937 1.00 73.52 C ATOM 1442 C PHE A 93 12.049 7.004 2.801 1.00 64.32 C ATOM 1443 O PHE A 93 12.937 7.827 3.021 1.00 1.21 O ATOM 1444 CB PHE A 93 11.998 6.055 5.127 1.00 74.12 C ATOM 1445 CG PHE A 93 11.236 5.890 6.420 1.00 22.24 C ATOM 1446 CD1 PHE A 93 10.276 4.900 6.561 1.00 3.23 C ATOM 1447 CD2 PHE A 93 11.490 6.724 7.495 1.00 71.22 C ATOM 1448 CE1 PHE A 93 9.582 4.749 7.746 1.00 55.25 C ATOM 1449 CE2 PHE A 93 10.799 6.576 8.684 1.00 4.32 C ATOM 1450 CZ PHE A 93 9.844 5.588 8.809 1.00 62.24 C ATOM 0 H PHE A 93 10.683 4.515 3.540 1.00 50.25 H new ATOM 0 HA PHE A 93 10.510 7.355 4.245 1.00 73.52 H new ATOM 0 HB2 PHE A 93 12.466 5.104 4.872 1.00 74.12 H new ATOM 0 HB3 PHE A 93 12.802 6.775 5.283 1.00 74.12 H new ATOM 0 HD1 PHE A 93 10.068 4.238 5.734 1.00 3.23 H new ATOM 0 HD2 PHE A 93 12.236 7.499 7.404 1.00 71.22 H new ATOM 0 HE1 PHE A 93 8.835 3.975 7.840 1.00 55.25 H new ATOM 0 HE2 PHE A 93 11.007 7.234 9.515 1.00 4.32 H new ATOM 0 HZ PHE A 93 9.303 5.472 9.737 1.00 62.24 H new ATOM 1460 N ALA A 94 11.819 6.507 1.587 1.00 74.04 N ATOM 1461 CA ALA A 94 12.671 6.860 0.452 1.00 14.22 C ATOM 1462 C ALA A 94 11.954 7.717 -0.599 1.00 12.32 C ATOM 1463 O ALA A 94 12.608 8.354 -1.431 1.00 22.51 O ATOM 1464 CB ALA A 94 13.234 5.606 -0.193 1.00 54.53 C ATOM 0 H ALA A 94 11.058 5.865 1.365 1.00 74.04 H new ATOM 0 HA ALA A 94 13.483 7.468 0.851 1.00 14.22 H new ATOM 0 HB1 ALA A 94 13.866 5.883 -1.036 1.00 54.53 H new ATOM 0 HB2 ALA A 94 13.825 5.055 0.538 1.00 54.53 H new ATOM 0 HB3 ALA A 94 12.415 4.978 -0.544 1.00 54.53 H new ATOM 1470 N LEU A 95 10.628 7.735 -0.576 1.00 5.10 N ATOM 1471 CA LEU A 95 9.879 8.516 -1.564 1.00 41.44 C ATOM 1472 C LEU A 95 9.846 10.002 -1.213 1.00 72.54 C ATOM 1473 O LEU A 95 10.034 10.388 -0.059 1.00 34.41 O ATOM 1474 CB LEU A 95 8.453 7.974 -1.770 1.00 31.21 C ATOM 1475 CG LEU A 95 8.308 6.751 -2.699 1.00 2.12 C ATOM 1476 CD1 LEU A 95 9.034 6.972 -4.014 1.00 23.02 C ATOM 1477 CD2 LEU A 95 8.803 5.491 -2.027 1.00 71.12 C ATOM 0 H LEU A 95 10.054 7.230 0.099 1.00 5.10 H new ATOM 0 HA LEU A 95 10.414 8.408 -2.508 1.00 41.44 H new ATOM 0 HB2 LEU A 95 8.044 7.712 -0.794 1.00 31.21 H new ATOM 0 HB3 LEU A 95 7.836 8.780 -2.168 1.00 31.21 H new ATOM 0 HG LEU A 95 7.246 6.627 -2.912 1.00 2.12 H new ATOM 0 HD11 LEU A 95 8.914 6.093 -4.648 1.00 23.02 H new ATOM 0 HD12 LEU A 95 8.616 7.843 -4.518 1.00 23.02 H new ATOM 0 HD13 LEU A 95 10.094 7.138 -3.821 1.00 23.02 H new ATOM 0 HD21 LEU A 95 8.688 4.647 -2.707 1.00 71.12 H new ATOM 0 HD22 LEU A 95 9.855 5.607 -1.767 1.00 71.12 H new ATOM 0 HD23 LEU A 95 8.224 5.310 -1.122 1.00 71.12 H new ATOM 1489 N ARG A 96 9.600 10.825 -2.224 1.00 34.31 N ATOM 1490 CA ARG A 96 9.575 12.279 -2.071 1.00 32.42 C ATOM 1491 C ARG A 96 8.159 12.778 -1.761 1.00 45.12 C ATOM 1492 O ARG A 96 7.251 11.981 -1.511 1.00 40.33 O ATOM 1493 CB ARG A 96 10.090 12.947 -3.359 1.00 72.52 C ATOM 1494 CG ARG A 96 9.260 12.602 -4.583 1.00 35.53 C ATOM 1495 CD ARG A 96 9.758 13.289 -5.842 1.00 73.44 C ATOM 1496 NE ARG A 96 8.997 12.849 -7.015 1.00 42.02 N ATOM 1497 CZ ARG A 96 8.796 13.567 -8.118 1.00 44.25 C ATOM 1498 NH1 ARG A 96 9.296 14.791 -8.232 1.00 20.43 N ATOM 1499 NH2 ARG A 96 8.082 13.053 -9.104 1.00 41.05 N ATOM 0 H ARG A 96 9.412 10.506 -3.174 1.00 34.31 H new ATOM 0 HA ARG A 96 10.222 12.545 -1.235 1.00 32.42 H new ATOM 0 HB2 ARG A 96 10.094 14.029 -3.223 1.00 72.52 H new ATOM 0 HB3 ARG A 96 11.123 12.643 -3.531 1.00 72.52 H new ATOM 0 HG2 ARG A 96 9.274 11.523 -4.734 1.00 35.53 H new ATOM 0 HG3 ARG A 96 8.223 12.886 -4.405 1.00 35.53 H new ATOM 0 HD2 ARG A 96 9.669 14.370 -5.731 1.00 73.44 H new ATOM 0 HD3 ARG A 96 10.816 13.069 -5.987 1.00 73.44 H new ATOM 0 HE ARG A 96 8.587 11.915 -6.984 1.00 42.02 H new ATOM 0 HH11 ARG A 96 9.842 15.192 -7.469 1.00 20.43 H new ATOM 0 HH12 ARG A 96 9.135 15.331 -9.082 1.00 20.43 H new ATOM 0 HH21 ARG A 96 7.691 12.115 -9.015 1.00 41.05 H new ATOM 0 HH22 ARG A 96 7.922 13.594 -9.954 1.00 41.05 H new ATOM 1513 N THR A 97 7.989 14.095 -1.790 1.00 70.41 N ATOM 1514 CA THR A 97 6.705 14.731 -1.525 1.00 13.00 C ATOM 1515 C THR A 97 5.662 14.334 -2.575 1.00 63.31 C ATOM 1516 O THR A 97 5.841 14.599 -3.772 1.00 44.12 O ATOM 1517 CB THR A 97 6.858 16.267 -1.533 1.00 2.24 C ATOM 1518 OG1 THR A 97 7.954 16.644 -0.691 1.00 25.32 O ATOM 1519 CG2 THR A 97 5.587 16.949 -1.043 1.00 41.12 C ATOM 0 H THR A 97 8.740 14.753 -1.999 1.00 70.41 H new ATOM 0 HA THR A 97 6.368 14.394 -0.545 1.00 13.00 H new ATOM 0 HB THR A 97 7.047 16.586 -2.558 1.00 2.24 H new ATOM 0 HG1 THR A 97 7.804 16.301 0.215 1.00 25.32 H new ATOM 0 HG21 THR A 97 5.725 18.030 -1.060 1.00 41.12 H new ATOM 0 HG22 THR A 97 4.755 16.679 -1.694 1.00 41.12 H new ATOM 0 HG23 THR A 97 5.370 16.626 -0.025 1.00 41.12 H new ATOM 1527 N GLY A 98 4.591 13.688 -2.122 1.00 42.04 N ATOM 1528 CA GLY A 98 3.520 13.292 -3.016 1.00 41.33 C ATOM 1529 C GLY A 98 3.983 12.321 -4.072 1.00 60.40 C ATOM 1530 O GLY A 98 3.701 12.499 -5.260 1.00 13.40 O ATOM 0 H GLY A 98 4.447 13.431 -1.145 1.00 42.04 H new ATOM 0 HA2 GLY A 98 2.716 12.838 -2.437 1.00 41.33 H new ATOM 0 HA3 GLY A 98 3.106 14.178 -3.497 1.00 41.33 H new ATOM 1534 N GLU A 99 4.700 11.301 -3.651 1.00 0.15 N ATOM 1535 CA GLU A 99 5.209 10.316 -4.575 1.00 25.14 C ATOM 1536 C GLU A 99 4.768 8.920 -4.171 1.00 12.31 C ATOM 1537 O GLU A 99 4.605 8.621 -2.980 1.00 73.04 O ATOM 1538 CB GLU A 99 6.731 10.396 -4.652 1.00 13.23 C ATOM 1539 CG GLU A 99 7.345 9.511 -5.723 1.00 70.31 C ATOM 1540 CD GLU A 99 6.845 9.844 -7.110 1.00 61.12 C ATOM 1541 OE1 GLU A 99 7.501 10.641 -7.803 1.00 2.23 O ATOM 1542 OE2 GLU A 99 5.796 9.298 -7.515 1.00 73.13 O ATOM 0 H GLU A 99 4.942 11.134 -2.674 1.00 0.15 H new ATOM 0 HA GLU A 99 4.800 10.529 -5.563 1.00 25.14 H new ATOM 0 HB2 GLU A 99 7.021 11.430 -4.840 1.00 13.23 H new ATOM 0 HB3 GLU A 99 7.148 10.119 -3.684 1.00 13.23 H new ATOM 0 HG2 GLU A 99 8.430 9.615 -5.697 1.00 70.31 H new ATOM 0 HG3 GLU A 99 7.120 8.468 -5.500 1.00 70.31 H new ATOM 1549 N MET A 100 4.585 8.076 -5.163 1.00 33.32 N ATOM 1550 CA MET A 100 4.140 6.720 -4.954 1.00 30.24 C ATOM 1551 C MET A 100 5.236 5.728 -5.326 1.00 53.23 C ATOM 1552 O MET A 100 5.870 5.852 -6.375 1.00 1.44 O ATOM 1553 CB MET A 100 2.886 6.461 -5.785 1.00 25.14 C ATOM 1554 CG MET A 100 2.417 5.019 -5.776 1.00 24.45 C ATOM 1555 SD MET A 100 0.965 4.765 -6.807 1.00 74.11 S ATOM 1556 CE MET A 100 1.517 5.503 -8.339 1.00 4.35 C ATOM 0 H MET A 100 4.742 8.315 -6.142 1.00 33.32 H new ATOM 0 HA MET A 100 3.907 6.585 -3.898 1.00 30.24 H new ATOM 0 HB2 MET A 100 2.081 7.095 -5.413 1.00 25.14 H new ATOM 0 HB3 MET A 100 3.079 6.762 -6.815 1.00 25.14 H new ATOM 0 HG2 MET A 100 3.224 4.375 -6.125 1.00 24.45 H new ATOM 0 HG3 MET A 100 2.190 4.720 -4.753 1.00 24.45 H new ATOM 0 HE1 MET A 100 0.796 5.287 -9.127 1.00 4.35 H new ATOM 0 HE2 MET A 100 1.604 6.582 -8.212 1.00 4.35 H new ATOM 0 HE3 MET A 100 2.488 5.090 -8.613 1.00 4.35 H new ATOM 1566 N SER A 101 5.454 4.752 -4.462 1.00 0.31 N ATOM 1567 CA SER A 101 6.468 3.731 -4.684 1.00 11.42 C ATOM 1568 C SER A 101 6.050 2.781 -5.806 1.00 52.40 C ATOM 1569 O SER A 101 6.866 2.385 -6.640 1.00 75.32 O ATOM 1570 CB SER A 101 6.697 2.941 -3.393 1.00 12.13 C ATOM 1571 OG SER A 101 7.767 2.021 -3.524 1.00 4.20 O ATOM 0 H SER A 101 4.937 4.643 -3.590 1.00 0.31 H new ATOM 0 HA SER A 101 7.394 4.224 -4.980 1.00 11.42 H new ATOM 0 HB2 SER A 101 6.909 3.631 -2.577 1.00 12.13 H new ATOM 0 HB3 SER A 101 5.786 2.404 -3.128 1.00 12.13 H new ATOM 0 HG SER A 101 7.886 1.535 -2.681 1.00 4.20 H new ATOM 1577 N GLY A 102 4.781 2.429 -5.826 1.00 32.14 N ATOM 1578 CA GLY A 102 4.290 1.503 -6.813 1.00 74.45 C ATOM 1579 C GLY A 102 3.849 0.206 -6.174 1.00 20.43 C ATOM 1580 O GLY A 102 3.350 0.218 -5.046 1.00 1.25 O ATOM 0 H GLY A 102 4.077 2.771 -5.171 1.00 32.14 H new ATOM 0 HA2 GLY A 102 3.453 1.950 -7.350 1.00 74.45 H new ATOM 0 HA3 GLY A 102 5.070 1.303 -7.548 1.00 74.45 H new ATOM 1584 N PRO A 103 4.033 -0.932 -6.856 1.00 21.33 N ATOM 1585 CA PRO A 103 3.642 -2.229 -6.343 1.00 64.32 C ATOM 1586 C PRO A 103 4.719 -2.854 -5.462 1.00 44.55 C ATOM 1587 O PRO A 103 5.726 -3.364 -5.958 1.00 63.02 O ATOM 1588 CB PRO A 103 3.443 -3.081 -7.613 1.00 51.44 C ATOM 1589 CG PRO A 103 3.911 -2.231 -8.765 1.00 33.45 C ATOM 1590 CD PRO A 103 4.631 -1.048 -8.178 1.00 51.12 C ATOM 0 HA PRO A 103 2.754 -2.159 -5.714 1.00 64.32 H new ATOM 0 HB2 PRO A 103 4.015 -4.007 -7.554 1.00 51.44 H new ATOM 0 HB3 PRO A 103 2.396 -3.360 -7.735 1.00 51.44 H new ATOM 0 HG2 PRO A 103 4.573 -2.799 -9.419 1.00 33.45 H new ATOM 0 HG3 PRO A 103 3.066 -1.905 -9.372 1.00 33.45 H new ATOM 0 HD2 PRO A 103 5.707 -1.216 -8.122 1.00 51.12 H new ATOM 0 HD3 PRO A 103 4.479 -0.146 -8.771 1.00 51.12 H new ATOM 1598 N VAL A 104 4.523 -2.789 -4.165 1.00 1.31 N ATOM 1599 CA VAL A 104 5.445 -3.395 -3.229 1.00 15.52 C ATOM 1600 C VAL A 104 4.930 -4.769 -2.839 1.00 72.34 C ATOM 1601 O VAL A 104 3.894 -4.892 -2.182 1.00 12.31 O ATOM 1602 CB VAL A 104 5.629 -2.526 -1.963 1.00 5.23 C ATOM 1603 CG1 VAL A 104 6.607 -3.177 -0.991 1.00 1.23 C ATOM 1604 CG2 VAL A 104 6.100 -1.132 -2.345 1.00 2.13 C ATOM 0 H VAL A 104 3.728 -2.320 -3.731 1.00 1.31 H new ATOM 0 HA VAL A 104 6.417 -3.481 -3.715 1.00 15.52 H new ATOM 0 HB VAL A 104 4.665 -2.443 -1.462 1.00 5.23 H new ATOM 0 HG11 VAL A 104 6.718 -2.546 -0.110 1.00 1.23 H new ATOM 0 HG12 VAL A 104 6.227 -4.154 -0.692 1.00 1.23 H new ATOM 0 HG13 VAL A 104 7.576 -3.298 -1.476 1.00 1.23 H new ATOM 0 HG21 VAL A 104 6.225 -0.531 -1.444 1.00 2.13 H new ATOM 0 HG22 VAL A 104 7.052 -1.201 -2.871 1.00 2.13 H new ATOM 0 HG23 VAL A 104 5.360 -0.663 -2.994 1.00 2.13 H new ATOM 1614 N PHE A 105 5.639 -5.792 -3.262 1.00 1.21 N ATOM 1615 CA PHE A 105 5.226 -7.157 -3.010 1.00 34.34 C ATOM 1616 C PHE A 105 5.544 -7.576 -1.586 1.00 61.10 C ATOM 1617 O PHE A 105 6.679 -7.443 -1.126 1.00 42.21 O ATOM 1618 CB PHE A 105 5.887 -8.107 -4.011 1.00 32.11 C ATOM 1619 CG PHE A 105 5.541 -7.802 -5.443 1.00 24.32 C ATOM 1620 CD1 PHE A 105 4.387 -8.313 -6.016 1.00 10.44 C ATOM 1621 CD2 PHE A 105 6.368 -7.000 -6.216 1.00 52.41 C ATOM 1622 CE1 PHE A 105 4.066 -8.031 -7.329 1.00 75.05 C ATOM 1623 CE2 PHE A 105 6.052 -6.716 -7.528 1.00 22.20 C ATOM 1624 CZ PHE A 105 4.899 -7.232 -8.086 1.00 2.12 C ATOM 0 H PHE A 105 6.510 -5.704 -3.786 1.00 1.21 H new ATOM 0 HA PHE A 105 4.145 -7.210 -3.138 1.00 34.34 H new ATOM 0 HB2 PHE A 105 6.969 -8.057 -3.888 1.00 32.11 H new ATOM 0 HB3 PHE A 105 5.587 -9.130 -3.782 1.00 32.11 H new ATOM 0 HD1 PHE A 105 3.731 -8.939 -5.429 1.00 10.44 H new ATOM 0 HD2 PHE A 105 7.271 -6.593 -5.785 1.00 52.41 H new ATOM 0 HE1 PHE A 105 3.164 -8.435 -7.763 1.00 75.05 H new ATOM 0 HE2 PHE A 105 6.705 -6.091 -8.118 1.00 22.20 H new ATOM 0 HZ PHE A 105 4.649 -7.011 -9.113 1.00 2.12 H new ATOM 1634 N THR A 106 4.536 -8.067 -0.896 1.00 4.31 N ATOM 1635 CA THR A 106 4.682 -8.526 0.466 1.00 25.31 C ATOM 1636 C THR A 106 3.969 -9.863 0.649 1.00 74.21 C ATOM 1637 O THR A 106 3.332 -10.366 -0.282 1.00 24.22 O ATOM 1638 CB THR A 106 4.129 -7.495 1.478 1.00 63.53 C ATOM 1639 OG1 THR A 106 2.833 -7.045 1.060 1.00 2.42 O ATOM 1640 CG2 THR A 106 5.066 -6.299 1.613 1.00 71.25 C ATOM 0 H THR A 106 3.590 -8.159 -1.267 1.00 4.31 H new ATOM 0 HA THR A 106 5.747 -8.651 0.660 1.00 25.31 H new ATOM 0 HB THR A 106 4.052 -7.984 2.449 1.00 63.53 H new ATOM 0 HG1 THR A 106 2.487 -7.644 0.365 1.00 2.42 H new ATOM 0 HG21 THR A 106 4.651 -5.591 2.331 1.00 71.25 H new ATOM 0 HG22 THR A 106 6.042 -6.639 1.960 1.00 71.25 H new ATOM 0 HG23 THR A 106 5.175 -5.811 0.644 1.00 71.25 H new ATOM 1648 N ASP A 107 4.067 -10.428 1.841 1.00 44.41 N ATOM 1649 CA ASP A 107 3.460 -11.723 2.138 1.00 53.45 C ATOM 1650 C ASP A 107 1.943 -11.679 1.982 1.00 74.44 C ATOM 1651 O ASP A 107 1.358 -12.475 1.233 1.00 51.34 O ATOM 1652 CB ASP A 107 3.815 -12.175 3.560 1.00 63.44 C ATOM 1653 CG ASP A 107 5.305 -12.219 3.816 1.00 12.14 C ATOM 1654 OD1 ASP A 107 5.873 -11.182 4.217 1.00 24.42 O ATOM 1655 OD2 ASP A 107 5.919 -13.290 3.620 1.00 35.33 O ATOM 0 H ASP A 107 4.564 -10.009 2.627 1.00 44.41 H new ATOM 0 HA ASP A 107 3.861 -12.439 1.421 1.00 53.45 H new ATOM 0 HB2 ASP A 107 3.350 -11.498 4.276 1.00 63.44 H new ATOM 0 HB3 ASP A 107 3.393 -13.165 3.736 1.00 63.44 H new ATOM 1660 N SER A 108 1.314 -10.732 2.667 1.00 20.31 N ATOM 1661 CA SER A 108 -0.138 -10.611 2.668 1.00 22.44 C ATOM 1662 C SER A 108 -0.690 -10.122 1.325 1.00 14.04 C ATOM 1663 O SER A 108 -1.890 -10.220 1.075 1.00 12.21 O ATOM 1664 CB SER A 108 -0.594 -9.677 3.794 1.00 23.54 C ATOM 1665 OG SER A 108 -2.012 -9.618 3.868 1.00 61.41 O ATOM 0 H SER A 108 1.792 -10.031 3.233 1.00 20.31 H new ATOM 0 HA SER A 108 -0.538 -11.611 2.836 1.00 22.44 H new ATOM 0 HB2 SER A 108 -0.191 -10.026 4.745 1.00 23.54 H new ATOM 0 HB3 SER A 108 -0.194 -8.677 3.626 1.00 23.54 H new ATOM 0 HG SER A 108 -2.278 -8.902 4.482 1.00 61.41 H new ATOM 1671 N GLY A 109 0.169 -9.598 0.470 1.00 62.34 N ATOM 1672 CA GLY A 109 -0.296 -9.120 -0.811 1.00 32.43 C ATOM 1673 C GLY A 109 0.574 -8.038 -1.377 1.00 42.14 C ATOM 1674 O GLY A 109 1.785 -8.037 -1.175 1.00 2.42 O ATOM 0 H GLY A 109 1.170 -9.495 0.637 1.00 62.34 H new ATOM 0 HA2 GLY A 109 -0.335 -9.953 -1.513 1.00 32.43 H new ATOM 0 HA3 GLY A 109 -1.314 -8.744 -0.706 1.00 32.43 H new ATOM 1678 N ILE A 110 -0.031 -7.117 -2.082 1.00 12.12 N ATOM 1679 CA ILE A 110 0.703 -6.031 -2.690 1.00 53.22 C ATOM 1680 C ILE A 110 0.359 -4.719 -2.003 1.00 62.34 C ATOM 1681 O ILE A 110 -0.813 -4.428 -1.744 1.00 62.42 O ATOM 1682 CB ILE A 110 0.407 -5.931 -4.204 1.00 43.13 C ATOM 1683 CG1 ILE A 110 0.651 -7.288 -4.873 1.00 51.14 C ATOM 1684 CG2 ILE A 110 1.279 -4.855 -4.847 1.00 2.35 C ATOM 1685 CD1 ILE A 110 0.251 -7.337 -6.329 1.00 74.24 C ATOM 0 H ILE A 110 -1.037 -7.096 -2.251 1.00 12.12 H new ATOM 0 HA ILE A 110 1.767 -6.233 -2.567 1.00 53.22 H new ATOM 0 HB ILE A 110 -0.638 -5.653 -4.342 1.00 43.13 H new ATOM 0 HG12 ILE A 110 1.709 -7.538 -4.789 1.00 51.14 H new ATOM 0 HG13 ILE A 110 0.098 -8.054 -4.329 1.00 51.14 H new ATOM 0 HG21 ILE A 110 1.059 -4.797 -5.913 1.00 2.35 H new ATOM 0 HG22 ILE A 110 1.072 -3.892 -4.381 1.00 2.35 H new ATOM 0 HG23 ILE A 110 2.330 -5.107 -4.707 1.00 2.35 H new ATOM 0 HD11 ILE A 110 0.455 -8.330 -6.729 1.00 74.24 H new ATOM 0 HD12 ILE A 110 -0.813 -7.120 -6.421 1.00 74.24 H new ATOM 0 HD13 ILE A 110 0.822 -6.596 -6.888 1.00 74.24 H new ATOM 1697 N HIS A 111 1.378 -3.949 -1.686 1.00 54.11 N ATOM 1698 CA HIS A 111 1.198 -2.679 -1.017 1.00 3.22 C ATOM 1699 C HIS A 111 1.592 -1.524 -1.905 1.00 44.12 C ATOM 1700 O HIS A 111 2.604 -1.577 -2.591 1.00 72.24 O ATOM 1701 CB HIS A 111 2.041 -2.606 0.259 1.00 41.22 C ATOM 1702 CG HIS A 111 1.459 -3.301 1.444 1.00 52.53 C ATOM 1703 ND1 HIS A 111 0.328 -2.859 2.091 1.00 21.31 N ATOM 1704 CD2 HIS A 111 1.882 -4.382 2.133 1.00 3.00 C ATOM 1705 CE1 HIS A 111 0.089 -3.632 3.130 1.00 62.23 C ATOM 1706 NE2 HIS A 111 1.014 -4.562 3.175 1.00 50.33 N ATOM 0 H HIS A 111 2.350 -4.185 -1.884 1.00 54.11 H new ATOM 0 HA HIS A 111 0.139 -2.606 -0.771 1.00 3.22 H new ATOM 0 HB2 HIS A 111 3.022 -3.034 0.052 1.00 41.22 H new ATOM 0 HB3 HIS A 111 2.197 -1.558 0.513 1.00 41.22 H new ATOM 0 HD1 HIS A 111 -0.237 -2.058 1.810 1.00 21.31 H new ATOM 0 HD2 HIS A 111 2.744 -4.991 1.904 1.00 3.00 H new ATOM 0 HE1 HIS A 111 -0.729 -3.520 3.826 1.00 62.23 H new ATOM 1715 N ILE A 112 0.785 -0.491 -1.897 1.00 71.33 N ATOM 1716 CA ILE A 112 1.134 0.740 -2.567 1.00 0.14 C ATOM 1717 C ILE A 112 1.581 1.734 -1.513 1.00 73.10 C ATOM 1718 O ILE A 112 0.897 1.918 -0.503 1.00 52.25 O ATOM 1719 CB ILE A 112 -0.043 1.336 -3.380 1.00 21.14 C ATOM 1720 CG1 ILE A 112 -0.466 0.374 -4.496 1.00 71.31 C ATOM 1721 CG2 ILE A 112 0.342 2.692 -3.961 1.00 11.43 C ATOM 1722 CD1 ILE A 112 -1.535 0.935 -5.417 1.00 60.03 C ATOM 0 H ILE A 112 -0.123 -0.478 -1.432 1.00 71.33 H new ATOM 0 HA ILE A 112 1.929 0.528 -3.282 1.00 0.14 H new ATOM 0 HB ILE A 112 -0.889 1.477 -2.708 1.00 21.14 H new ATOM 0 HG12 ILE A 112 0.410 0.113 -5.089 1.00 71.31 H new ATOM 0 HG13 ILE A 112 -0.834 -0.549 -4.047 1.00 71.31 H new ATOM 0 HG21 ILE A 112 -0.496 3.096 -4.529 1.00 11.43 H new ATOM 0 HG22 ILE A 112 0.595 3.376 -3.151 1.00 11.43 H new ATOM 0 HG23 ILE A 112 1.203 2.575 -4.619 1.00 11.43 H new ATOM 0 HD11 ILE A 112 -1.782 0.197 -6.180 1.00 60.03 H new ATOM 0 HD12 ILE A 112 -2.428 1.170 -4.837 1.00 60.03 H new ATOM 0 HD13 ILE A 112 -1.164 1.841 -5.895 1.00 60.03 H new ATOM 1734 N ILE A 113 2.724 2.349 -1.727 1.00 24.43 N ATOM 1735 CA ILE A 113 3.280 3.276 -0.759 1.00 24.11 C ATOM 1736 C ILE A 113 3.205 4.707 -1.262 1.00 51.31 C ATOM 1737 O ILE A 113 3.731 5.029 -2.329 1.00 14.42 O ATOM 1738 CB ILE A 113 4.753 2.924 -0.447 1.00 61.14 C ATOM 1739 CG1 ILE A 113 4.845 1.544 0.203 1.00 51.23 C ATOM 1740 CG2 ILE A 113 5.399 3.983 0.435 1.00 33.25 C ATOM 1741 CD1 ILE A 113 6.258 1.112 0.515 1.00 33.12 C ATOM 0 H ILE A 113 3.290 2.224 -2.566 1.00 24.43 H new ATOM 0 HA ILE A 113 2.686 3.189 0.151 1.00 24.11 H new ATOM 0 HB ILE A 113 5.302 2.900 -1.389 1.00 61.14 H new ATOM 0 HG12 ILE A 113 4.264 1.547 1.125 1.00 51.23 H new ATOM 0 HG13 ILE A 113 4.388 0.809 -0.460 1.00 51.23 H new ATOM 0 HG21 ILE A 113 6.434 3.707 0.637 1.00 33.25 H new ATOM 0 HG22 ILE A 113 5.373 4.946 -0.075 1.00 33.25 H new ATOM 0 HG23 ILE A 113 4.853 4.055 1.376 1.00 33.25 H new ATOM 0 HD11 ILE A 113 6.243 0.124 0.974 1.00 33.12 H new ATOM 0 HD12 ILE A 113 6.839 1.075 -0.406 1.00 33.12 H new ATOM 0 HD13 ILE A 113 6.713 1.825 1.203 1.00 33.12 H new ATOM 1753 N LEU A 114 2.539 5.551 -0.494 1.00 51.41 N ATOM 1754 CA LEU A 114 2.411 6.960 -0.816 1.00 63.40 C ATOM 1755 C LEU A 114 3.067 7.784 0.294 1.00 40.22 C ATOM 1756 O LEU A 114 2.693 7.668 1.466 1.00 44.13 O ATOM 1757 CB LEU A 114 0.913 7.328 -0.964 1.00 71.35 C ATOM 1758 CG LEU A 114 0.567 8.682 -1.636 1.00 14.42 C ATOM 1759 CD1 LEU A 114 0.946 9.868 -0.761 1.00 65.14 C ATOM 1760 CD2 LEU A 114 1.227 8.791 -3.003 1.00 24.23 C ATOM 0 H LEU A 114 2.072 5.278 0.371 1.00 51.41 H new ATOM 0 HA LEU A 114 2.910 7.176 -1.761 1.00 63.40 H new ATOM 0 HB2 LEU A 114 0.428 6.536 -1.535 1.00 71.35 H new ATOM 0 HB3 LEU A 114 0.467 7.323 0.030 1.00 71.35 H new ATOM 0 HG LEU A 114 -0.515 8.709 -1.767 1.00 14.42 H new ATOM 0 HD11 LEU A 114 0.685 10.795 -1.272 1.00 65.14 H new ATOM 0 HD12 LEU A 114 0.406 9.810 0.184 1.00 65.14 H new ATOM 0 HD13 LEU A 114 2.019 9.849 -0.568 1.00 65.14 H new ATOM 0 HD21 LEU A 114 0.970 9.749 -3.456 1.00 24.23 H new ATOM 0 HD22 LEU A 114 2.309 8.721 -2.891 1.00 24.23 H new ATOM 0 HD23 LEU A 114 0.875 7.982 -3.643 1.00 24.23 H new ATOM 1772 N ARG A 115 4.051 8.586 -0.072 1.00 73.44 N ATOM 1773 CA ARG A 115 4.751 9.432 0.889 1.00 32.22 C ATOM 1774 C ARG A 115 4.276 10.876 0.765 1.00 14.52 C ATOM 1775 O ARG A 115 4.225 11.430 -0.333 1.00 3.12 O ATOM 1776 CB ARG A 115 6.267 9.337 0.682 1.00 42.24 C ATOM 1777 CG ARG A 115 7.093 10.234 1.600 1.00 54.24 C ATOM 1778 CD ARG A 115 6.850 9.928 3.073 1.00 0.23 C ATOM 1779 NE ARG A 115 7.713 10.739 3.934 1.00 44.42 N ATOM 1780 CZ ARG A 115 7.286 11.575 4.885 1.00 21.31 C ATOM 1781 NH1 ARG A 115 5.989 11.677 5.169 1.00 41.41 N ATOM 1782 NH2 ARG A 115 8.167 12.292 5.571 1.00 5.42 N ATOM 0 H ARG A 115 4.387 8.672 -1.031 1.00 73.44 H new ATOM 0 HA ARG A 115 4.524 9.081 1.896 1.00 32.22 H new ATOM 0 HB2 ARG A 115 6.577 8.303 0.832 1.00 42.24 H new ATOM 0 HB3 ARG A 115 6.495 9.591 -0.353 1.00 42.24 H new ATOM 0 HG2 ARG A 115 8.152 10.106 1.374 1.00 54.24 H new ATOM 0 HG3 ARG A 115 6.848 11.278 1.402 1.00 54.24 H new ATOM 0 HD2 ARG A 115 5.805 10.118 3.319 1.00 0.23 H new ATOM 0 HD3 ARG A 115 7.034 8.870 3.262 1.00 0.23 H new ATOM 0 HE ARG A 115 8.721 10.659 3.797 1.00 44.42 H new ATOM 0 HH11 ARG A 115 5.309 11.113 4.658 1.00 41.41 H new ATOM 0 HH12 ARG A 115 5.675 12.319 5.897 1.00 41.41 H new ATOM 0 HH21 ARG A 115 9.163 12.203 5.371 1.00 5.42 H new ATOM 0 HH22 ARG A 115 7.848 12.932 6.298 1.00 5.42 H new ATOM 1796 N THR A 116 3.922 11.473 1.891 1.00 1.34 N ATOM 1797 CA THR A 116 3.401 12.823 1.912 1.00 30.00 C ATOM 1798 C THR A 116 4.509 13.899 1.981 1.00 20.41 C ATOM 1799 O THR A 116 4.599 14.749 1.098 1.00 53.43 O ATOM 1800 CB THR A 116 2.418 13.001 3.078 1.00 1.44 C ATOM 1801 OG1 THR A 116 2.985 12.438 4.271 1.00 12.04 O ATOM 1802 CG2 THR A 116 1.092 12.318 2.775 1.00 2.43 C ATOM 0 H THR A 116 3.988 11.035 2.810 1.00 1.34 H new ATOM 0 HA THR A 116 2.878 12.968 0.967 1.00 30.00 H new ATOM 0 HB THR A 116 2.236 14.066 3.220 1.00 1.44 H new ATOM 0 HG1 THR A 116 2.884 13.072 5.012 1.00 12.04 H new ATOM 0 HG21 THR A 116 0.411 12.457 3.615 1.00 2.43 H new ATOM 0 HG22 THR A 116 0.655 12.754 1.877 1.00 2.43 H new ATOM 0 HG23 THR A 116 1.259 11.253 2.616 1.00 2.43 H new ATOM 1810 N GLU A 117 5.341 13.860 3.023 1.00 1.32 N ATOM 1811 CA GLU A 117 6.399 14.866 3.194 1.00 44.44 C ATOM 1812 C GLU A 117 7.646 14.505 2.395 1.00 74.14 C ATOM 1813 O GLU A 117 7.936 15.200 1.410 1.00 0.00 O ATOM 1814 CB GLU A 117 6.778 15.067 4.674 1.00 4.04 C ATOM 1815 CG GLU A 117 5.671 15.624 5.562 1.00 1.52 C ATOM 1816 CD GLU A 117 4.620 14.600 5.904 1.00 43.31 C ATOM 1817 OE1 GLU A 117 4.941 13.630 6.633 1.00 33.02 O ATOM 1818 OE2 GLU A 117 3.475 14.747 5.449 1.00 65.14 O ATOM 1819 OXT GLU A 117 8.336 13.538 2.766 1.00 0.00 O ATOM 0 H GLU A 117 5.307 13.152 3.756 1.00 1.32 H new ATOM 0 HA GLU A 117 5.991 15.803 2.815 1.00 44.44 H new ATOM 0 HB2 GLU A 117 7.101 14.109 5.082 1.00 4.04 H new ATOM 0 HB3 GLU A 117 7.634 15.740 4.724 1.00 4.04 H new ATOM 0 HG2 GLU A 117 6.110 16.008 6.483 1.00 1.52 H new ATOM 0 HG3 GLU A 117 5.199 16.467 5.059 1.00 1.52 H new