USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 983 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 85 MET CE :methyl -121:sc= -7.36! (180deg=-5.73!) USER MOD Set 1.2: A 112 MET CE :methyl -135:sc= -2.49! (180deg=-2.66!) USER MOD Set 2.1: A 74 THR OG1 : rot 101:sc= 1.3 USER MOD Set 2.2: A 109 HIS : no HE2:sc= -0.674 K(o=0.62,f=-5.9!) USER MOD Set 3.1: A 54 ASN : amide:sc= -3.55! C(o=-2.1!,f=-8!) USER MOD Set 3.2: A 58 ASN : amide:sc= -0.341 K(o=-2.1,f=-7) USER MOD Set 3.3: A 89 LYS NZ :NH3+ -115:sc= 2.35 (180deg=-0.489) USER MOD Set 3.4: A 90 GLN : amide:sc= -0.542 K(o=-2.1,f=-18!) USER MOD Set 4.1: A 39 THR OG1 : rot 49:sc= 0.208 USER MOD Set 4.2: A 43 GLN :FLIP amide:sc= -3.13! C(o=-5.7!,f=-2.9!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 GLN :FLIP amide:sc= -1.2 F(o=-4.3!,f=-1.2) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 54:sc= 1.03 USER MOD Single : A 21 TYR OH : rot -169:sc= 0.332 USER MOD Single : A 26 CYS SG : rot 180:sc= -0.399 USER MOD Single : A 29 ASN : amide:sc= -0.752 K(o=-0.75,f=-5.2!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc=-0.000335 F(o=-1.4!,f=-0.00033) USER MOD Single : A 95 SER OG : rot 152:sc= 0.59 USER MOD Single : A 100 SER OG : rot -26:sc= 1.3 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot -160:sc= -0.152 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD ----------------------------------------------------------------- ATOM 50 N ILE A 4 -13.952 -1.833 6.240 1.00 2.22 N ATOM 51 CA ILE A 4 -13.645 -3.125 5.615 1.00 64.22 C ATOM 52 C ILE A 4 -13.007 -3.006 4.224 1.00 32.22 C ATOM 53 O ILE A 4 -12.023 -2.289 4.035 1.00 44.24 O ATOM 54 CB ILE A 4 -14.878 -4.074 5.581 1.00 74.43 C ATOM 55 CG1 ILE A 4 -16.067 -3.468 4.826 1.00 45.53 C ATOM 56 CG2 ILE A 4 -15.295 -4.432 7.002 1.00 21.13 C ATOM 57 CD1 ILE A 4 -17.189 -4.452 4.592 1.00 32.24 C ATOM 0 HA ILE A 4 -12.891 -3.573 6.262 1.00 64.22 H new ATOM 0 HB ILE A 4 -14.578 -4.973 5.042 1.00 74.43 H new ATOM 0 HG12 ILE A 4 -16.451 -2.617 5.389 1.00 45.53 H new ATOM 0 HG13 ILE A 4 -15.722 -3.085 3.865 1.00 45.53 H new ATOM 0 HG21 ILE A 4 -16.159 -5.096 6.971 1.00 21.13 H new ATOM 0 HG22 ILE A 4 -14.470 -4.933 7.508 1.00 21.13 H new ATOM 0 HG23 ILE A 4 -15.556 -3.523 7.545 1.00 21.13 H new ATOM 0 HD11 ILE A 4 -17.999 -3.959 4.053 1.00 32.24 H new ATOM 0 HD12 ILE A 4 -16.820 -5.292 4.003 1.00 32.24 H new ATOM 0 HD13 ILE A 4 -17.560 -4.816 5.550 1.00 32.24 H new ATOM 69 N ASP A 5 -13.554 -3.748 3.277 1.00 62.20 N ATOM 70 CA ASP A 5 -12.997 -3.864 1.931 1.00 10.25 C ATOM 71 C ASP A 5 -13.744 -2.951 0.950 1.00 2.44 C ATOM 72 O ASP A 5 -13.628 -3.093 -0.267 1.00 22.34 O ATOM 73 CB ASP A 5 -13.101 -5.336 1.493 1.00 15.23 C ATOM 74 CG ASP A 5 -12.284 -5.689 0.261 1.00 65.12 C ATOM 75 OD1 ASP A 5 -11.081 -5.985 0.404 1.00 52.33 O ATOM 76 OD2 ASP A 5 -12.858 -5.731 -0.849 1.00 31.41 O ATOM 0 H ASP A 5 -14.404 -4.293 3.417 1.00 62.20 H new ATOM 0 HA ASP A 5 -11.953 -3.550 1.934 1.00 10.25 H new ATOM 0 HB2 ASP A 5 -12.781 -5.971 2.319 1.00 15.23 H new ATOM 0 HB3 ASP A 5 -14.148 -5.570 1.298 1.00 15.23 H new ATOM 81 N ASP A 6 -14.498 -1.997 1.483 1.00 14.21 N ATOM 82 CA ASP A 6 -15.310 -1.109 0.649 1.00 35.15 C ATOM 83 C ASP A 6 -14.535 0.166 0.320 1.00 12.34 C ATOM 84 O ASP A 6 -13.631 0.558 1.060 1.00 14.51 O ATOM 85 CB ASP A 6 -16.627 -0.777 1.364 1.00 44.45 C ATOM 86 CG ASP A 6 -17.607 -0.014 0.491 1.00 41.30 C ATOM 87 OD1 ASP A 6 -18.311 -0.648 -0.325 1.00 24.41 O ATOM 88 OD2 ASP A 6 -17.694 1.220 0.630 1.00 11.42 O ATOM 0 H ASP A 6 -14.566 -1.816 2.484 1.00 14.21 H new ATOM 0 HA ASP A 6 -15.543 -1.616 -0.287 1.00 35.15 H new ATOM 0 HB2 ASP A 6 -17.094 -1.703 1.699 1.00 44.45 H new ATOM 0 HB3 ASP A 6 -16.410 -0.188 2.255 1.00 44.45 H new ATOM 93 N TYR A 7 -14.877 0.810 -0.791 1.00 1.14 N ATOM 94 CA TYR A 7 -14.136 1.984 -1.239 1.00 65.54 C ATOM 95 C TYR A 7 -14.907 3.275 -0.931 1.00 3.44 C ATOM 96 O TYR A 7 -16.053 3.450 -1.350 1.00 4.43 O ATOM 97 CB TYR A 7 -13.808 1.885 -2.741 1.00 43.11 C ATOM 98 CG TYR A 7 -14.988 2.117 -3.662 1.00 72.44 C ATOM 99 CD1 TYR A 7 -15.934 1.124 -3.889 1.00 4.14 C ATOM 100 CD2 TYR A 7 -15.161 3.343 -4.294 1.00 63.40 C ATOM 101 CE1 TYR A 7 -17.015 1.348 -4.719 1.00 11.12 C ATOM 102 CE2 TYR A 7 -16.240 3.576 -5.119 1.00 64.43 C ATOM 103 CZ TYR A 7 -17.162 2.577 -5.329 1.00 53.13 C ATOM 104 OH TYR A 7 -18.243 2.811 -6.144 1.00 54.42 O ATOM 0 H TYR A 7 -15.655 0.542 -1.393 1.00 1.14 H new ATOM 0 HA TYR A 7 -13.196 2.017 -0.688 1.00 65.54 H new ATOM 0 HB2 TYR A 7 -13.031 2.612 -2.978 1.00 43.11 H new ATOM 0 HB3 TYR A 7 -13.394 0.897 -2.945 1.00 43.11 H new ATOM 0 HD1 TYR A 7 -15.822 0.163 -3.409 1.00 4.14 H new ATOM 0 HD2 TYR A 7 -14.436 4.128 -4.135 1.00 63.40 H new ATOM 0 HE1 TYR A 7 -17.741 0.566 -4.889 1.00 11.12 H new ATOM 0 HE2 TYR A 7 -16.361 4.537 -5.598 1.00 64.43 H new ATOM 0 HH TYR A 7 -18.197 3.725 -6.493 1.00 54.42 H new ATOM 114 N PRO A 8 -14.298 4.177 -0.151 1.00 51.34 N ATOM 115 CA PRO A 8 -14.882 5.468 0.178 1.00 74.41 C ATOM 116 C PRO A 8 -14.305 6.632 -0.636 1.00 21.31 C ATOM 117 O PRO A 8 -14.691 7.787 -0.440 1.00 10.14 O ATOM 118 CB PRO A 8 -14.490 5.612 1.649 1.00 73.11 C ATOM 119 CG PRO A 8 -13.165 4.914 1.775 1.00 62.31 C ATOM 120 CD PRO A 8 -13.025 3.986 0.557 1.00 51.33 C ATOM 0 HA PRO A 8 -15.951 5.503 -0.034 1.00 74.41 H new ATOM 0 HB2 PRO A 8 -14.411 6.661 1.934 1.00 73.11 H new ATOM 0 HB3 PRO A 8 -15.237 5.160 2.301 1.00 73.11 H new ATOM 0 HG2 PRO A 8 -12.350 5.637 1.804 1.00 62.31 H new ATOM 0 HG3 PRO A 8 -13.117 4.343 2.702 1.00 62.31 H new ATOM 0 HD2 PRO A 8 -12.172 4.261 -0.064 1.00 51.33 H new ATOM 0 HD3 PRO A 8 -12.881 2.948 0.855 1.00 51.33 H new ATOM 128 N GLN A 9 -13.388 6.338 -1.555 1.00 21.14 N ATOM 129 CA GLN A 9 -12.675 7.391 -2.269 1.00 31.02 C ATOM 130 C GLN A 9 -12.298 6.933 -3.677 1.00 13.42 C ATOM 131 O GLN A 9 -12.331 5.739 -3.969 1.00 61.34 O ATOM 132 CB GLN A 9 -11.423 7.782 -1.482 1.00 71.42 C ATOM 133 CG GLN A 9 -10.828 9.116 -1.895 1.00 65.43 C ATOM 134 CD GLN A 9 -9.608 9.492 -1.080 1.00 41.32 C ATOM 135 OE1 GLN A 9 -8.825 8.500 -0.681 1.00 1.24 O flip ATOM 136 NE2 GLN A 9 -9.356 10.670 -0.833 1.00 21.24 N flip ATOM 0 H GLN A 9 -13.124 5.389 -1.820 1.00 21.14 H new ATOM 0 HA GLN A 9 -13.328 8.259 -2.362 1.00 31.02 H new ATOM 0 HB2 GLN A 9 -11.670 7.818 -0.421 1.00 71.42 H new ATOM 0 HB3 GLN A 9 -10.669 7.005 -1.608 1.00 71.42 H new ATOM 0 HG2 GLN A 9 -10.557 9.077 -2.950 1.00 65.43 H new ATOM 0 HG3 GLN A 9 -11.584 9.894 -1.789 1.00 65.43 H new ATOM 0 HE21 GLN A 9 -9.984 11.405 -1.158 1.00 21.24 H new ATOM 0 HE22 GLN A 9 -8.519 10.912 -0.303 1.00 21.24 H new ATOM 145 N ALA A 10 -11.928 7.888 -4.533 1.00 50.33 N ATOM 146 CA ALA A 10 -11.578 7.609 -5.914 1.00 44.10 C ATOM 147 C ALA A 10 -10.921 8.840 -6.528 1.00 30.50 C ATOM 148 O ALA A 10 -11.590 9.703 -7.088 1.00 31.11 O ATOM 149 CB ALA A 10 -12.807 7.201 -6.718 1.00 53.03 C ATOM 0 H ALA A 10 -11.865 8.874 -4.281 1.00 50.33 H new ATOM 0 HA ALA A 10 -10.876 6.775 -5.938 1.00 44.10 H new ATOM 0 HB1 ALA A 10 -12.516 6.998 -7.749 1.00 53.03 H new ATOM 0 HB2 ALA A 10 -13.246 6.304 -6.281 1.00 53.03 H new ATOM 0 HB3 ALA A 10 -13.538 8.009 -6.700 1.00 53.03 H new ATOM 155 N LYS A 11 -9.612 8.935 -6.375 1.00 62.32 N ATOM 156 CA LYS A 11 -8.857 10.075 -6.869 1.00 24.11 C ATOM 157 C LYS A 11 -7.615 9.564 -7.566 1.00 54.23 C ATOM 158 O LYS A 11 -7.243 8.422 -7.374 1.00 34.32 O ATOM 159 CB LYS A 11 -8.501 11.014 -5.709 1.00 23.34 C ATOM 160 CG LYS A 11 -8.002 12.380 -6.157 1.00 63.41 C ATOM 161 CD LYS A 11 -7.896 13.355 -4.996 1.00 2.33 C ATOM 162 CE LYS A 11 -6.812 12.952 -4.013 1.00 24.11 C ATOM 163 NZ LYS A 11 -6.695 13.921 -2.894 1.00 25.54 N ATOM 0 H LYS A 11 -9.044 8.228 -5.907 1.00 62.32 H new ATOM 0 HA LYS A 11 -9.454 10.646 -7.580 1.00 24.11 H new ATOM 0 HB2 LYS A 11 -9.380 11.147 -5.079 1.00 23.34 H new ATOM 0 HB3 LYS A 11 -7.736 10.542 -5.093 1.00 23.34 H new ATOM 0 HG2 LYS A 11 -7.026 12.272 -6.631 1.00 63.41 H new ATOM 0 HG3 LYS A 11 -8.679 12.784 -6.910 1.00 63.41 H new ATOM 0 HD2 LYS A 11 -7.685 14.353 -5.379 1.00 2.33 H new ATOM 0 HD3 LYS A 11 -8.854 13.408 -4.478 1.00 2.33 H new ATOM 0 HE2 LYS A 11 -7.032 11.962 -3.615 1.00 24.11 H new ATOM 0 HE3 LYS A 11 -5.857 12.881 -4.534 1.00 24.11 H new ATOM 0 HZ1 LYS A 11 -5.945 13.612 -2.244 1.00 25.54 H new ATOM 0 HZ2 LYS A 11 -6.460 14.861 -3.272 1.00 25.54 H new ATOM 0 HZ3 LYS A 11 -7.599 13.970 -2.381 1.00 25.54 H new ATOM 177 N ARG A 12 -7.000 10.379 -8.397 1.00 43.35 N ATOM 178 CA ARG A 12 -5.794 9.943 -9.100 1.00 43.45 C ATOM 179 C ARG A 12 -4.697 11.006 -9.116 1.00 23.33 C ATOM 180 O ARG A 12 -3.760 10.935 -8.330 1.00 30.24 O ATOM 181 CB ARG A 12 -6.115 9.480 -10.527 1.00 24.43 C ATOM 182 CG ARG A 12 -7.267 10.223 -11.186 1.00 22.03 C ATOM 183 CD ARG A 12 -7.420 9.822 -12.641 1.00 31.14 C ATOM 184 NE ARG A 12 -7.450 8.371 -12.815 1.00 61.04 N ATOM 185 CZ ARG A 12 -8.080 7.750 -13.810 1.00 11.55 C ATOM 186 NH1 ARG A 12 -8.762 8.446 -14.715 1.00 3.40 N ATOM 187 NH2 ARG A 12 -8.019 6.430 -13.899 1.00 51.21 N ATOM 0 H ARG A 12 -7.301 11.331 -8.605 1.00 43.35 H new ATOM 0 HA ARG A 12 -5.407 9.094 -8.536 1.00 43.45 H new ATOM 0 HB2 ARG A 12 -5.223 9.598 -11.143 1.00 24.43 H new ATOM 0 HB3 ARG A 12 -6.350 8.416 -10.506 1.00 24.43 H new ATOM 0 HG2 ARG A 12 -8.192 10.013 -10.649 1.00 22.03 H new ATOM 0 HG3 ARG A 12 -7.096 11.297 -11.119 1.00 22.03 H new ATOM 0 HD2 ARG A 12 -8.338 10.253 -13.040 1.00 31.14 H new ATOM 0 HD3 ARG A 12 -6.595 10.238 -13.219 1.00 31.14 H new ATOM 0 HE ARG A 12 -6.957 7.798 -12.131 1.00 61.04 H new ATOM 0 HH11 ARG A 12 -8.805 9.463 -14.650 1.00 3.40 H new ATOM 0 HH12 ARG A 12 -9.242 7.963 -15.474 1.00 3.40 H new ATOM 0 HH21 ARG A 12 -7.492 5.896 -13.208 1.00 51.21 H new ATOM 0 HH22 ARG A 12 -8.499 5.947 -14.659 1.00 51.21 H new ATOM 201 N VAL A 13 -4.826 12.000 -9.990 1.00 44.42 N ATOM 202 CA VAL A 13 -3.733 12.942 -10.258 1.00 74.25 C ATOM 203 C VAL A 13 -3.261 13.697 -9.005 1.00 15.44 C ATOM 204 O VAL A 13 -2.065 13.717 -8.719 1.00 4.33 O ATOM 205 CB VAL A 13 -4.108 13.957 -11.361 1.00 55.33 C ATOM 206 CG1 VAL A 13 -2.907 14.822 -11.729 1.00 21.20 C ATOM 207 CG2 VAL A 13 -4.648 13.241 -12.591 1.00 22.42 C ATOM 0 H VAL A 13 -5.675 12.178 -10.527 1.00 44.42 H new ATOM 0 HA VAL A 13 -2.904 12.325 -10.604 1.00 74.25 H new ATOM 0 HB VAL A 13 -4.892 14.607 -10.972 1.00 55.33 H new ATOM 0 HG11 VAL A 13 -3.193 15.530 -12.507 1.00 21.20 H new ATOM 0 HG12 VAL A 13 -2.569 15.368 -10.849 1.00 21.20 H new ATOM 0 HG13 VAL A 13 -2.100 14.187 -12.095 1.00 21.20 H new ATOM 0 HG21 VAL A 13 -4.906 13.974 -13.355 1.00 22.42 H new ATOM 0 HG22 VAL A 13 -3.888 12.563 -12.980 1.00 22.42 H new ATOM 0 HG23 VAL A 13 -5.537 12.672 -12.320 1.00 22.42 H new ATOM 217 N PRO A 14 -4.170 14.334 -8.238 1.00 64.52 N ATOM 218 CA PRO A 14 -3.794 15.089 -7.035 1.00 12.21 C ATOM 219 C PRO A 14 -3.533 14.185 -5.828 1.00 15.03 C ATOM 220 O PRO A 14 -3.944 14.498 -4.708 1.00 3.41 O ATOM 221 CB PRO A 14 -5.011 15.999 -6.769 1.00 51.43 C ATOM 222 CG PRO A 14 -5.944 15.786 -7.914 1.00 21.25 C ATOM 223 CD PRO A 14 -5.613 14.407 -8.467 1.00 53.33 C ATOM 0 HA PRO A 14 -2.864 15.637 -7.186 1.00 12.21 H new ATOM 0 HB2 PRO A 14 -5.489 15.744 -5.824 1.00 51.43 H new ATOM 0 HB3 PRO A 14 -4.709 17.044 -6.701 1.00 51.43 H new ATOM 0 HG2 PRO A 14 -6.983 15.837 -7.587 1.00 21.25 H new ATOM 0 HG3 PRO A 14 -5.811 16.555 -8.675 1.00 21.25 H new ATOM 0 HD2 PRO A 14 -6.151 13.616 -7.944 1.00 53.33 H new ATOM 0 HD3 PRO A 14 -5.865 14.319 -9.524 1.00 53.33 H new ATOM 231 N GLY A 15 -2.837 13.079 -6.050 1.00 41.41 N ATOM 232 CA GLY A 15 -2.500 12.187 -4.961 1.00 44.22 C ATOM 233 C GLY A 15 -3.546 11.117 -4.738 1.00 63.14 C ATOM 234 O GLY A 15 -4.357 11.228 -3.821 1.00 13.51 O ATOM 0 H GLY A 15 -2.500 12.784 -6.966 1.00 41.41 H new ATOM 0 HA2 GLY A 15 -1.540 11.714 -5.168 1.00 44.22 H new ATOM 0 HA3 GLY A 15 -2.378 12.767 -4.046 1.00 44.22 H new ATOM 238 N LEU A 16 -3.545 10.093 -5.581 1.00 4.31 N ATOM 239 CA LEU A 16 -4.442 8.946 -5.410 1.00 21.43 C ATOM 240 C LEU A 16 -4.158 8.256 -4.079 1.00 14.51 C ATOM 241 O LEU A 16 -3.008 7.967 -3.747 1.00 74.14 O ATOM 242 CB LEU A 16 -4.295 7.961 -6.588 1.00 12.21 C ATOM 243 CG LEU A 16 -4.672 6.493 -6.315 1.00 55.51 C ATOM 244 CD1 LEU A 16 -6.091 6.374 -5.792 1.00 52.03 C ATOM 245 CD2 LEU A 16 -4.503 5.658 -7.578 1.00 33.20 C ATOM 0 H LEU A 16 -2.933 10.029 -6.394 1.00 4.31 H new ATOM 0 HA LEU A 16 -5.472 9.302 -5.401 1.00 21.43 H new ATOM 0 HB2 LEU A 16 -4.910 8.322 -7.412 1.00 12.21 H new ATOM 0 HB3 LEU A 16 -3.259 7.989 -6.927 1.00 12.21 H new ATOM 0 HG LEU A 16 -3.999 6.113 -5.546 1.00 55.51 H new ATOM 0 HD11 LEU A 16 -6.325 5.325 -5.610 1.00 52.03 H new ATOM 0 HD12 LEU A 16 -6.184 6.933 -4.861 1.00 52.03 H new ATOM 0 HD13 LEU A 16 -6.785 6.778 -6.529 1.00 52.03 H new ATOM 0 HD21 LEU A 16 -4.773 4.623 -7.369 1.00 33.20 H new ATOM 0 HD22 LEU A 16 -5.150 6.050 -8.363 1.00 33.20 H new ATOM 0 HD23 LEU A 16 -3.465 5.702 -7.907 1.00 33.20 H new ATOM 257 N VAL A 17 -5.212 8.002 -3.318 1.00 24.21 N ATOM 258 CA VAL A 17 -5.067 7.457 -1.981 1.00 12.32 C ATOM 259 C VAL A 17 -5.818 6.139 -1.836 1.00 2.20 C ATOM 260 O VAL A 17 -7.051 6.117 -1.796 1.00 52.45 O ATOM 261 CB VAL A 17 -5.595 8.437 -0.916 1.00 74.22 C ATOM 262 CG1 VAL A 17 -4.855 8.254 0.393 1.00 23.42 C ATOM 263 CG2 VAL A 17 -5.498 9.875 -1.395 1.00 3.22 C ATOM 0 H VAL A 17 -6.177 8.165 -3.606 1.00 24.21 H new ATOM 0 HA VAL A 17 -4.001 7.290 -1.827 1.00 12.32 H new ATOM 0 HB VAL A 17 -6.649 8.214 -0.748 1.00 74.22 H new ATOM 0 HG11 VAL A 17 -5.243 8.956 1.131 1.00 23.42 H new ATOM 0 HG12 VAL A 17 -4.997 7.234 0.752 1.00 23.42 H new ATOM 0 HG13 VAL A 17 -3.792 8.440 0.239 1.00 23.42 H new ATOM 0 HG21 VAL A 17 -5.878 10.543 -0.622 1.00 3.22 H new ATOM 0 HG22 VAL A 17 -4.457 10.119 -1.605 1.00 3.22 H new ATOM 0 HG23 VAL A 17 -6.090 9.997 -2.302 1.00 3.22 H new ATOM 273 N VAL A 18 -5.074 5.045 -1.766 1.00 43.35 N ATOM 274 CA VAL A 18 -5.653 3.734 -1.501 1.00 61.51 C ATOM 275 C VAL A 18 -5.151 3.226 -0.154 1.00 43.03 C ATOM 276 O VAL A 18 -3.973 3.377 0.166 1.00 23.31 O ATOM 277 CB VAL A 18 -5.302 2.716 -2.612 1.00 61.34 C ATOM 278 CG1 VAL A 18 -5.833 1.328 -2.278 1.00 61.15 C ATOM 279 CG2 VAL A 18 -5.846 3.180 -3.954 1.00 61.12 C ATOM 0 H VAL A 18 -4.062 5.039 -1.890 1.00 43.35 H new ATOM 0 HA VAL A 18 -6.738 3.838 -1.482 1.00 61.51 H new ATOM 0 HB VAL A 18 -4.216 2.656 -2.676 1.00 61.34 H new ATOM 0 HG11 VAL A 18 -5.570 0.636 -3.078 1.00 61.15 H new ATOM 0 HG12 VAL A 18 -5.392 0.985 -1.342 1.00 61.15 H new ATOM 0 HG13 VAL A 18 -6.917 1.368 -2.175 1.00 61.15 H new ATOM 0 HG21 VAL A 18 -5.589 2.451 -4.723 1.00 61.12 H new ATOM 0 HG22 VAL A 18 -6.930 3.277 -3.893 1.00 61.12 H new ATOM 0 HG23 VAL A 18 -5.409 4.146 -4.209 1.00 61.12 H new ATOM 289 N TYR A 19 -6.035 2.638 0.642 1.00 33.42 N ATOM 290 CA TYR A 19 -5.667 2.238 1.992 1.00 64.30 C ATOM 291 C TYR A 19 -5.737 0.727 2.183 1.00 44.40 C ATOM 292 O TYR A 19 -6.404 0.019 1.424 1.00 64.42 O ATOM 293 CB TYR A 19 -6.549 2.950 3.028 1.00 54.54 C ATOM 294 CG TYR A 19 -8.013 2.550 3.014 1.00 13.43 C ATOM 295 CD1 TYR A 19 -8.899 3.083 2.085 1.00 31.42 C ATOM 296 CD2 TYR A 19 -8.510 1.652 3.949 1.00 23.32 C ATOM 297 CE1 TYR A 19 -10.236 2.727 2.093 1.00 61.44 C ATOM 298 CE2 TYR A 19 -9.844 1.298 3.967 1.00 71.41 C ATOM 299 CZ TYR A 19 -10.703 1.837 3.036 1.00 72.10 C ATOM 300 OH TYR A 19 -12.036 1.493 3.062 1.00 31.43 O ATOM 0 H TYR A 19 -6.999 2.430 0.380 1.00 33.42 H new ATOM 0 HA TYR A 19 -4.630 2.538 2.144 1.00 64.30 H new ATOM 0 HB2 TYR A 19 -6.145 2.755 4.021 1.00 54.54 H new ATOM 0 HB3 TYR A 19 -6.481 4.025 2.862 1.00 54.54 H new ATOM 0 HD1 TYR A 19 -8.539 3.784 1.347 1.00 31.42 H new ATOM 0 HD2 TYR A 19 -7.839 1.221 4.677 1.00 23.32 H new ATOM 0 HE1 TYR A 19 -10.912 3.146 1.362 1.00 61.44 H new ATOM 0 HE2 TYR A 19 -10.212 0.602 4.707 1.00 71.41 H new ATOM 0 HH TYR A 19 -12.310 1.177 2.176 1.00 31.43 H new ATOM 310 N ARG A 20 -5.014 0.250 3.190 1.00 23.14 N ATOM 311 CA ARG A 20 -5.054 -1.152 3.592 1.00 24.31 C ATOM 312 C ARG A 20 -6.442 -1.481 4.140 1.00 3.34 C ATOM 313 O ARG A 20 -6.900 -0.839 5.085 1.00 54.51 O ATOM 314 CB ARG A 20 -3.986 -1.417 4.663 1.00 52.43 C ATOM 315 CG ARG A 20 -2.588 -0.964 4.261 1.00 63.20 C ATOM 316 CD ARG A 20 -1.769 -2.092 3.653 1.00 64.42 C ATOM 317 NE ARG A 20 -1.036 -2.854 4.670 1.00 74.53 N ATOM 318 CZ ARG A 20 -1.029 -4.185 4.751 1.00 0.10 C ATOM 319 NH1 ARG A 20 -1.753 -4.908 3.905 1.00 65.14 N ATOM 320 NH2 ARG A 20 -0.295 -4.796 5.676 1.00 22.35 N ATOM 0 H ARG A 20 -4.384 0.824 3.751 1.00 23.14 H new ATOM 0 HA ARG A 20 -4.849 -1.786 2.729 1.00 24.31 H new ATOM 0 HB2 ARG A 20 -4.273 -0.907 5.583 1.00 52.43 H new ATOM 0 HB3 ARG A 20 -3.963 -2.484 4.884 1.00 52.43 H new ATOM 0 HG2 ARG A 20 -2.665 -0.147 3.544 1.00 63.20 H new ATOM 0 HG3 ARG A 20 -2.070 -0.572 5.136 1.00 63.20 H new ATOM 0 HD2 ARG A 20 -2.429 -2.763 3.104 1.00 64.42 H new ATOM 0 HD3 ARG A 20 -1.063 -1.679 2.932 1.00 64.42 H new ATOM 0 HE ARG A 20 -0.496 -2.332 5.360 1.00 74.53 H new ATOM 0 HH11 ARG A 20 -2.316 -4.445 3.191 1.00 65.14 H new ATOM 0 HH12 ARG A 20 -1.746 -5.926 3.969 1.00 65.14 H new ATOM 0 HH21 ARG A 20 0.266 -4.246 6.327 1.00 22.35 H new ATOM 0 HH22 ARG A 20 -0.293 -5.814 5.734 1.00 22.35 H new ATOM 334 N TYR A 21 -7.103 -2.472 3.548 1.00 54.30 N ATOM 335 CA TYR A 21 -8.494 -2.787 3.882 1.00 51.02 C ATOM 336 C TYR A 21 -8.659 -3.216 5.337 1.00 4.44 C ATOM 337 O TYR A 21 -7.705 -3.639 5.986 1.00 15.21 O ATOM 338 CB TYR A 21 -9.029 -3.893 2.978 1.00 73.22 C ATOM 339 CG TYR A 21 -8.938 -3.586 1.506 1.00 2.33 C ATOM 340 CD1 TYR A 21 -9.432 -2.396 0.984 1.00 34.21 C ATOM 341 CD2 TYR A 21 -8.356 -4.491 0.633 1.00 41.23 C ATOM 342 CE1 TYR A 21 -9.343 -2.119 -0.366 1.00 24.01 C ATOM 343 CE2 TYR A 21 -8.262 -4.225 -0.715 1.00 12.23 C ATOM 344 CZ TYR A 21 -8.761 -3.040 -1.212 1.00 43.13 C ATOM 345 OH TYR A 21 -8.659 -2.771 -2.561 1.00 71.24 O ATOM 0 H TYR A 21 -6.698 -3.074 2.831 1.00 54.30 H new ATOM 0 HA TYR A 21 -9.063 -1.870 3.728 1.00 51.02 H new ATOM 0 HB2 TYR A 21 -8.478 -4.811 3.181 1.00 73.22 H new ATOM 0 HB3 TYR A 21 -10.071 -4.084 3.234 1.00 73.22 H new ATOM 0 HD1 TYR A 21 -9.893 -1.677 1.645 1.00 34.21 H new ATOM 0 HD2 TYR A 21 -7.969 -5.423 1.017 1.00 41.23 H new ATOM 0 HE1 TYR A 21 -9.726 -1.188 -0.757 1.00 24.01 H new ATOM 0 HE2 TYR A 21 -7.800 -4.941 -1.379 1.00 12.23 H new ATOM 0 HH TYR A 21 -8.388 -3.584 -3.037 1.00 71.24 H new ATOM 355 N ASP A 22 -9.887 -3.117 5.823 1.00 25.03 N ATOM 356 CA ASP A 22 -10.216 -3.508 7.187 1.00 52.35 C ATOM 357 C ASP A 22 -11.088 -4.769 7.187 1.00 74.01 C ATOM 358 O ASP A 22 -12.212 -4.780 7.687 1.00 74.34 O ATOM 359 CB ASP A 22 -10.923 -2.349 7.902 1.00 33.21 C ATOM 360 CG ASP A 22 -11.383 -2.701 9.303 1.00 41.34 C ATOM 361 OD1 ASP A 22 -10.589 -3.278 10.065 1.00 23.14 O ATOM 362 OD2 ASP A 22 -12.545 -2.392 9.642 1.00 51.10 O ATOM 0 H ASP A 22 -10.680 -2.765 5.287 1.00 25.03 H new ATOM 0 HA ASP A 22 -9.297 -3.738 7.725 1.00 52.35 H new ATOM 0 HB2 ASP A 22 -10.247 -1.496 7.953 1.00 33.21 H new ATOM 0 HB3 ASP A 22 -11.785 -2.038 7.311 1.00 33.21 H new ATOM 367 N ALA A 23 -10.576 -5.831 6.586 1.00 72.25 N ATOM 368 CA ALA A 23 -11.286 -7.101 6.542 1.00 25.22 C ATOM 369 C ALA A 23 -10.343 -8.242 6.206 1.00 24.41 C ATOM 370 O ALA A 23 -9.593 -8.162 5.237 1.00 22.44 O ATOM 371 CB ALA A 23 -12.394 -7.048 5.519 1.00 11.30 C ATOM 0 H ALA A 23 -9.669 -5.839 6.120 1.00 72.25 H new ATOM 0 HA ALA A 23 -11.712 -7.278 7.530 1.00 25.22 H new ATOM 0 HB1 ALA A 23 -12.916 -8.005 5.498 1.00 11.30 H new ATOM 0 HB2 ALA A 23 -13.096 -6.258 5.784 1.00 11.30 H new ATOM 0 HB3 ALA A 23 -11.971 -6.843 4.535 1.00 11.30 H new ATOM 377 N PRO A 24 -10.349 -9.310 7.021 1.00 51.00 N ATOM 378 CA PRO A 24 -9.483 -10.475 6.809 1.00 30.33 C ATOM 379 C PRO A 24 -9.666 -11.108 5.438 1.00 12.21 C ATOM 380 O PRO A 24 -10.698 -11.719 5.151 1.00 73.34 O ATOM 381 CB PRO A 24 -9.904 -11.452 7.913 1.00 34.31 C ATOM 382 CG PRO A 24 -10.467 -10.583 8.977 1.00 5.44 C ATOM 383 CD PRO A 24 -11.176 -9.455 8.232 1.00 52.14 C ATOM 0 HA PRO A 24 -8.430 -10.198 6.848 1.00 30.33 H new ATOM 0 HB2 PRO A 24 -10.643 -12.167 7.551 1.00 34.31 H new ATOM 0 HB3 PRO A 24 -9.055 -12.029 8.279 1.00 34.31 H new ATOM 0 HG2 PRO A 24 -11.161 -11.135 9.611 1.00 5.44 H new ATOM 0 HG3 PRO A 24 -9.682 -10.195 9.626 1.00 5.44 H new ATOM 0 HD2 PRO A 24 -12.208 -9.712 7.992 1.00 52.14 H new ATOM 0 HD3 PRO A 24 -11.205 -8.536 8.817 1.00 52.14 H new ATOM 391 N LEU A 25 -8.678 -10.917 4.580 1.00 13.05 N ATOM 392 CA LEU A 25 -8.654 -11.581 3.288 1.00 44.25 C ATOM 393 C LEU A 25 -7.333 -12.316 3.101 1.00 51.22 C ATOM 394 O LEU A 25 -7.172 -13.089 2.154 1.00 75.32 O ATOM 395 CB LEU A 25 -8.945 -10.592 2.123 1.00 50.51 C ATOM 396 CG LEU A 25 -7.886 -9.517 1.752 1.00 5.14 C ATOM 397 CD1 LEU A 25 -7.338 -8.785 2.968 1.00 43.52 C ATOM 398 CD2 LEU A 25 -6.755 -10.112 0.923 1.00 34.41 C ATOM 0 H LEU A 25 -7.880 -10.306 4.756 1.00 13.05 H new ATOM 0 HA LEU A 25 -9.456 -12.319 3.267 1.00 44.25 H new ATOM 0 HB2 LEU A 25 -9.135 -11.186 1.229 1.00 50.51 H new ATOM 0 HB3 LEU A 25 -9.872 -10.070 2.361 1.00 50.51 H new ATOM 0 HG LEU A 25 -8.405 -8.776 1.144 1.00 5.14 H new ATOM 0 HD11 LEU A 25 -6.603 -8.047 2.648 1.00 43.52 H new ATOM 0 HD12 LEU A 25 -8.154 -8.283 3.488 1.00 43.52 H new ATOM 0 HD13 LEU A 25 -6.864 -9.500 3.640 1.00 43.52 H new ATOM 0 HD21 LEU A 25 -6.032 -9.333 0.681 1.00 34.41 H new ATOM 0 HD22 LEU A 25 -6.262 -10.900 1.492 1.00 34.41 H new ATOM 0 HD23 LEU A 25 -7.160 -10.530 0.001 1.00 34.41 H new ATOM 410 N CYS A 26 -6.410 -12.091 4.044 1.00 61.43 N ATOM 411 CA CYS A 26 -5.070 -12.672 4.002 1.00 52.45 C ATOM 412 C CYS A 26 -4.318 -12.146 2.787 1.00 43.24 C ATOM 413 O CYS A 26 -3.628 -11.135 2.867 1.00 52.24 O ATOM 414 CB CYS A 26 -5.131 -14.205 3.987 1.00 13.41 C ATOM 415 SG CYS A 26 -6.202 -14.912 5.263 1.00 23.45 S ATOM 0 H CYS A 26 -6.576 -11.499 4.858 1.00 61.43 H new ATOM 0 HA CYS A 26 -4.534 -12.376 4.904 1.00 52.45 H new ATOM 0 HB2 CYS A 26 -5.482 -14.535 3.009 1.00 13.41 H new ATOM 0 HB3 CYS A 26 -4.123 -14.600 4.114 1.00 13.41 H new ATOM 0 HG CYS A 26 -6.191 -16.209 5.169 1.00 23.45 H new ATOM 421 N PHE A 27 -4.487 -12.829 1.662 1.00 51.51 N ATOM 422 CA PHE A 27 -3.964 -12.373 0.388 1.00 2.14 C ATOM 423 C PHE A 27 -4.660 -13.117 -0.751 1.00 2.10 C ATOM 424 O PHE A 27 -5.501 -12.540 -1.431 1.00 4.22 O ATOM 425 CB PHE A 27 -2.426 -12.500 0.304 1.00 54.21 C ATOM 426 CG PHE A 27 -1.870 -13.897 0.483 1.00 71.02 C ATOM 427 CD1 PHE A 27 -2.013 -14.577 1.683 1.00 23.31 C ATOM 428 CD2 PHE A 27 -1.202 -14.528 -0.560 1.00 72.33 C ATOM 429 CE1 PHE A 27 -1.504 -15.851 1.842 1.00 44.51 C ATOM 430 CE2 PHE A 27 -0.691 -15.803 -0.405 1.00 2.22 C ATOM 431 CZ PHE A 27 -0.841 -16.465 0.797 1.00 63.42 C ATOM 0 H PHE A 27 -4.991 -13.714 1.611 1.00 51.51 H new ATOM 0 HA PHE A 27 -4.180 -11.309 0.293 1.00 2.14 H new ATOM 0 HB2 PHE A 27 -2.101 -12.121 -0.665 1.00 54.21 H new ATOM 0 HB3 PHE A 27 -1.985 -11.854 1.063 1.00 54.21 H new ATOM 0 HD1 PHE A 27 -2.530 -14.104 2.505 1.00 23.31 H new ATOM 0 HD2 PHE A 27 -1.081 -14.016 -1.503 1.00 72.33 H new ATOM 0 HE1 PHE A 27 -1.624 -16.367 2.783 1.00 44.51 H new ATOM 0 HE2 PHE A 27 -0.174 -16.281 -1.224 1.00 2.22 H new ATOM 0 HZ PHE A 27 -0.441 -17.461 0.920 1.00 63.42 H new ATOM 441 N ALA A 28 -4.335 -14.401 -0.917 1.00 74.01 N ATOM 442 CA ALA A 28 -4.924 -15.252 -1.953 1.00 22.52 C ATOM 443 C ALA A 28 -4.862 -14.600 -3.337 1.00 34.34 C ATOM 444 O ALA A 28 -3.854 -14.700 -4.037 1.00 2.52 O ATOM 445 CB ALA A 28 -6.357 -15.628 -1.592 1.00 31.01 C ATOM 0 H ALA A 28 -3.651 -14.882 -0.333 1.00 74.01 H new ATOM 0 HA ALA A 28 -4.328 -16.163 -2.001 1.00 22.52 H new ATOM 0 HB1 ALA A 28 -6.776 -16.260 -2.375 1.00 31.01 H new ATOM 0 HB2 ALA A 28 -6.364 -16.169 -0.646 1.00 31.01 H new ATOM 0 HB3 ALA A 28 -6.957 -14.723 -1.496 1.00 31.01 H new ATOM 451 N ASN A 29 -5.924 -13.895 -3.702 1.00 61.53 N ATOM 452 CA ASN A 29 -6.034 -13.287 -5.020 1.00 11.02 C ATOM 453 C ASN A 29 -5.408 -11.896 -5.046 1.00 31.33 C ATOM 454 O ASN A 29 -5.384 -11.253 -6.089 1.00 55.45 O ATOM 455 CB ASN A 29 -7.509 -13.208 -5.451 1.00 43.02 C ATOM 456 CG ASN A 29 -8.375 -12.363 -4.517 1.00 22.23 C ATOM 457 OD1 ASN A 29 -7.915 -11.401 -3.907 1.00 61.13 O ATOM 458 ND2 ASN A 29 -9.641 -12.717 -4.398 1.00 13.50 N ATOM 0 H ASN A 29 -6.728 -13.729 -3.097 1.00 61.53 H new ATOM 0 HA ASN A 29 -5.488 -13.917 -5.722 1.00 11.02 H new ATOM 0 HB2 ASN A 29 -7.563 -12.793 -6.457 1.00 43.02 H new ATOM 0 HB3 ASN A 29 -7.919 -14.217 -5.500 1.00 43.02 H new ATOM 0 HD21 ASN A 29 -10.263 -12.187 -3.788 1.00 13.50 H new ATOM 0 HD22 ASN A 29 -9.997 -13.520 -4.916 1.00 13.50 H new ATOM 465 N ALA A 30 -4.896 -11.456 -3.894 1.00 35.52 N ATOM 466 CA ALA A 30 -4.356 -10.102 -3.724 1.00 43.22 C ATOM 467 C ALA A 30 -3.456 -9.680 -4.879 1.00 61.42 C ATOM 468 O ALA A 30 -3.526 -8.543 -5.335 1.00 15.25 O ATOM 469 CB ALA A 30 -3.596 -9.995 -2.412 1.00 41.32 C ATOM 0 H ALA A 30 -4.843 -12.028 -3.051 1.00 35.52 H new ATOM 0 HA ALA A 30 -5.209 -9.423 -3.711 1.00 43.22 H new ATOM 0 HB1 ALA A 30 -3.202 -8.985 -2.301 1.00 41.32 H new ATOM 0 HB2 ALA A 30 -4.269 -10.215 -1.583 1.00 41.32 H new ATOM 0 HB3 ALA A 30 -2.772 -10.708 -2.410 1.00 41.32 H new ATOM 475 N GLU A 31 -2.613 -10.596 -5.341 1.00 30.53 N ATOM 476 CA GLU A 31 -1.738 -10.336 -6.479 1.00 61.33 C ATOM 477 C GLU A 31 -2.560 -9.939 -7.704 1.00 63.43 C ATOM 478 O GLU A 31 -2.534 -8.780 -8.147 1.00 65.22 O ATOM 479 CB GLU A 31 -0.921 -11.590 -6.794 1.00 42.53 C ATOM 480 CG GLU A 31 -0.038 -11.455 -8.024 1.00 11.35 C ATOM 481 CD GLU A 31 -0.121 -12.665 -8.929 1.00 43.11 C ATOM 482 OE1 GLU A 31 0.625 -13.638 -8.705 1.00 11.33 O ATOM 483 OE2 GLU A 31 -0.952 -12.657 -9.867 1.00 62.24 O ATOM 0 H GLU A 31 -2.516 -11.530 -4.943 1.00 30.53 H new ATOM 0 HA GLU A 31 -1.067 -9.515 -6.226 1.00 61.33 H new ATOM 0 HB2 GLU A 31 -0.296 -11.830 -5.934 1.00 42.53 H new ATOM 0 HB3 GLU A 31 -1.602 -12.429 -6.937 1.00 42.53 H new ATOM 0 HG2 GLU A 31 -0.331 -10.566 -8.583 1.00 11.35 H new ATOM 0 HG3 GLU A 31 0.996 -11.309 -7.711 1.00 11.35 H new ATOM 490 N ASP A 32 -3.304 -10.913 -8.221 1.00 1.02 N ATOM 491 CA ASP A 32 -4.118 -10.734 -9.413 1.00 64.25 C ATOM 492 C ASP A 32 -5.072 -9.569 -9.234 1.00 72.21 C ATOM 493 O ASP A 32 -5.088 -8.645 -10.037 1.00 2.43 O ATOM 494 CB ASP A 32 -4.908 -12.013 -9.710 1.00 40.52 C ATOM 495 CG ASP A 32 -5.698 -11.932 -11.000 1.00 64.25 C ATOM 496 OD1 ASP A 32 -6.856 -11.468 -10.975 1.00 4.31 O ATOM 497 OD2 ASP A 32 -5.164 -12.351 -12.047 1.00 60.54 O ATOM 0 H ASP A 32 -3.357 -11.850 -7.822 1.00 1.02 H new ATOM 0 HA ASP A 32 -3.457 -10.520 -10.253 1.00 64.25 H new ATOM 0 HB2 ASP A 32 -4.219 -12.855 -9.764 1.00 40.52 H new ATOM 0 HB3 ASP A 32 -5.590 -12.213 -8.884 1.00 40.52 H new ATOM 502 N PHE A 33 -5.823 -9.615 -8.147 1.00 45.43 N ATOM 503 CA PHE A 33 -6.834 -8.615 -7.840 1.00 2.54 C ATOM 504 C PHE A 33 -6.265 -7.194 -7.851 1.00 73.01 C ATOM 505 O PHE A 33 -6.807 -6.311 -8.523 1.00 74.41 O ATOM 506 CB PHE A 33 -7.463 -8.939 -6.479 1.00 54.43 C ATOM 507 CG PHE A 33 -8.066 -7.753 -5.789 1.00 63.14 C ATOM 508 CD1 PHE A 33 -9.108 -7.048 -6.372 1.00 40.30 C ATOM 509 CD2 PHE A 33 -7.577 -7.335 -4.561 1.00 64.12 C ATOM 510 CE1 PHE A 33 -9.648 -5.946 -5.749 1.00 72.43 C ATOM 511 CE2 PHE A 33 -8.118 -6.235 -3.927 1.00 75.24 C ATOM 512 CZ PHE A 33 -9.154 -5.539 -4.526 1.00 12.41 C ATOM 0 H PHE A 33 -5.748 -10.353 -7.447 1.00 45.43 H new ATOM 0 HA PHE A 33 -7.597 -8.650 -8.618 1.00 2.54 H new ATOM 0 HB2 PHE A 33 -8.234 -9.697 -6.618 1.00 54.43 H new ATOM 0 HB3 PHE A 33 -6.701 -9.374 -5.832 1.00 54.43 H new ATOM 0 HD1 PHE A 33 -9.500 -7.367 -7.326 1.00 40.30 H new ATOM 0 HD2 PHE A 33 -6.765 -7.875 -4.096 1.00 64.12 H new ATOM 0 HE1 PHE A 33 -10.456 -5.401 -6.215 1.00 72.43 H new ATOM 0 HE2 PHE A 33 -7.735 -5.919 -2.968 1.00 75.24 H new ATOM 0 HZ PHE A 33 -9.577 -4.675 -4.035 1.00 12.41 H new ATOM 522 N ARG A 34 -5.177 -6.971 -7.118 1.00 31.23 N ATOM 523 CA ARG A 34 -4.616 -5.632 -6.987 1.00 45.44 C ATOM 524 C ARG A 34 -4.244 -5.057 -8.340 1.00 34.20 C ATOM 525 O ARG A 34 -4.719 -3.980 -8.714 1.00 20.24 O ATOM 526 CB ARG A 34 -3.393 -5.629 -6.067 1.00 4.31 C ATOM 527 CG ARG A 34 -2.713 -4.269 -5.958 1.00 42.22 C ATOM 528 CD ARG A 34 -3.668 -3.198 -5.459 1.00 31.31 C ATOM 529 NE ARG A 34 -4.210 -3.521 -4.142 1.00 74.43 N ATOM 530 CZ ARG A 34 -5.399 -3.108 -3.702 1.00 0.20 C ATOM 531 NH1 ARG A 34 -6.178 -2.358 -4.473 1.00 42.13 N ATOM 532 NH2 ARG A 34 -5.812 -3.451 -2.490 1.00 72.04 N ATOM 0 H ARG A 34 -4.670 -7.696 -6.609 1.00 31.23 H new ATOM 0 HA ARG A 34 -5.387 -5.004 -6.542 1.00 45.44 H new ATOM 0 HB2 ARG A 34 -3.697 -5.954 -5.072 1.00 4.31 H new ATOM 0 HB3 ARG A 34 -2.671 -6.358 -6.434 1.00 4.31 H new ATOM 0 HG2 ARG A 34 -1.862 -4.341 -5.280 1.00 42.22 H new ATOM 0 HG3 ARG A 34 -2.320 -3.980 -6.933 1.00 42.22 H new ATOM 0 HD2 ARG A 34 -3.148 -2.241 -5.413 1.00 31.31 H new ATOM 0 HD3 ARG A 34 -4.486 -3.082 -6.170 1.00 31.31 H new ATOM 0 HE ARG A 34 -3.644 -4.098 -3.520 1.00 74.43 H new ATOM 0 HH11 ARG A 34 -5.868 -2.094 -5.408 1.00 42.13 H new ATOM 0 HH12 ARG A 34 -7.086 -2.046 -4.130 1.00 42.13 H new ATOM 0 HH21 ARG A 34 -5.220 -4.031 -1.895 1.00 72.04 H new ATOM 0 HH22 ARG A 34 -6.721 -3.135 -2.153 1.00 72.04 H new ATOM 546 N ARG A 35 -3.409 -5.767 -9.086 1.00 2.04 N ATOM 547 CA ARG A 35 -2.955 -5.234 -10.359 1.00 51.51 C ATOM 548 C ARG A 35 -4.035 -5.337 -11.432 1.00 71.42 C ATOM 549 O ARG A 35 -4.030 -4.571 -12.380 1.00 23.33 O ATOM 550 CB ARG A 35 -1.622 -5.857 -10.814 1.00 72.32 C ATOM 551 CG ARG A 35 -1.490 -7.359 -10.616 1.00 12.00 C ATOM 552 CD ARG A 35 -2.216 -8.155 -11.683 1.00 61.02 C ATOM 553 NE ARG A 35 -1.987 -9.587 -11.520 1.00 54.35 N ATOM 554 CZ ARG A 35 -2.372 -10.512 -12.392 1.00 70.34 C ATOM 555 NH1 ARG A 35 -3.018 -10.168 -13.498 1.00 61.21 N ATOM 556 NH2 ARG A 35 -2.110 -11.787 -12.156 1.00 54.30 N ATOM 0 H ARG A 35 -3.042 -6.687 -8.841 1.00 2.04 H new ATOM 0 HA ARG A 35 -2.759 -4.173 -10.204 1.00 51.51 H new ATOM 0 HB2 ARG A 35 -1.482 -5.636 -11.872 1.00 72.32 H new ATOM 0 HB3 ARG A 35 -0.811 -5.366 -10.276 1.00 72.32 H new ATOM 0 HG2 ARG A 35 -0.434 -7.631 -10.621 1.00 12.00 H new ATOM 0 HG3 ARG A 35 -1.884 -7.628 -9.636 1.00 12.00 H new ATOM 0 HD2 ARG A 35 -3.285 -7.947 -11.632 1.00 61.02 H new ATOM 0 HD3 ARG A 35 -1.877 -7.840 -12.670 1.00 61.02 H new ATOM 0 HE ARG A 35 -1.499 -9.898 -10.680 1.00 54.35 H new ATOM 0 HH11 ARG A 35 -3.223 -9.186 -13.685 1.00 61.21 H new ATOM 0 HH12 ARG A 35 -3.310 -10.885 -14.162 1.00 61.21 H new ATOM 0 HH21 ARG A 35 -1.614 -12.057 -11.307 1.00 54.30 H new ATOM 0 HH22 ARG A 35 -2.404 -12.500 -12.823 1.00 54.30 H new ATOM 570 N ARG A 36 -4.987 -6.242 -11.273 1.00 41.22 N ATOM 571 CA ARG A 36 -6.090 -6.327 -12.222 1.00 3.12 C ATOM 572 C ARG A 36 -6.877 -5.020 -12.232 1.00 41.20 C ATOM 573 O ARG A 36 -6.812 -4.258 -13.193 1.00 64.22 O ATOM 574 CB ARG A 36 -7.024 -7.502 -11.898 1.00 40.41 C ATOM 575 CG ARG A 36 -8.261 -7.561 -12.784 1.00 53.11 C ATOM 576 CD ARG A 36 -7.895 -7.661 -14.256 1.00 74.24 C ATOM 577 NE ARG A 36 -9.056 -7.452 -15.116 1.00 21.31 N ATOM 578 CZ ARG A 36 -8.997 -7.350 -16.444 1.00 14.21 C ATOM 579 NH1 ARG A 36 -7.831 -7.438 -17.075 1.00 52.31 N ATOM 580 NH2 ARG A 36 -10.111 -7.158 -17.137 1.00 74.23 N ATOM 0 H ARG A 36 -5.021 -6.918 -10.510 1.00 41.22 H new ATOM 0 HA ARG A 36 -5.665 -6.500 -13.211 1.00 3.12 H new ATOM 0 HB2 ARG A 36 -6.469 -8.435 -12.000 1.00 40.41 H new ATOM 0 HB3 ARG A 36 -7.337 -7.430 -10.856 1.00 40.41 H new ATOM 0 HG2 ARG A 36 -8.870 -8.420 -12.501 1.00 53.11 H new ATOM 0 HG3 ARG A 36 -8.869 -6.671 -12.620 1.00 53.11 H new ATOM 0 HD2 ARG A 36 -7.130 -6.922 -14.492 1.00 74.24 H new ATOM 0 HD3 ARG A 36 -7.464 -8.642 -14.458 1.00 74.24 H new ATOM 0 HE ARG A 36 -9.972 -7.379 -14.672 1.00 21.31 H new ATOM 0 HH11 ARG A 36 -6.973 -7.585 -16.543 1.00 52.31 H new ATOM 0 HH12 ARG A 36 -7.794 -7.359 -18.091 1.00 52.31 H new ATOM 0 HH21 ARG A 36 -11.007 -7.089 -16.654 1.00 74.23 H new ATOM 0 HH22 ARG A 36 -10.072 -7.079 -18.153 1.00 74.23 H new ATOM 594 N ALA A 37 -7.560 -4.732 -11.139 1.00 72.33 N ATOM 595 CA ALA A 37 -8.487 -3.613 -11.106 1.00 63.14 C ATOM 596 C ALA A 37 -7.749 -2.284 -11.104 1.00 61.34 C ATOM 597 O ALA A 37 -8.039 -1.388 -11.906 1.00 62.32 O ATOM 598 CB ALA A 37 -9.393 -3.719 -9.888 1.00 32.25 C ATOM 0 H ALA A 37 -7.492 -5.254 -10.265 1.00 72.33 H new ATOM 0 HA ALA A 37 -9.098 -3.653 -12.008 1.00 63.14 H new ATOM 0 HB1 ALA A 37 -10.083 -2.876 -9.873 1.00 32.25 H new ATOM 0 HB2 ALA A 37 -9.958 -4.650 -9.935 1.00 32.25 H new ATOM 0 HB3 ALA A 37 -8.787 -3.708 -8.982 1.00 32.25 H new ATOM 604 N LEU A 38 -6.763 -2.173 -10.229 1.00 63.53 N ATOM 605 CA LEU A 38 -6.122 -0.899 -9.985 1.00 33.44 C ATOM 606 C LEU A 38 -5.135 -0.543 -11.104 1.00 75.15 C ATOM 607 O LEU A 38 -4.907 0.632 -11.388 1.00 53.21 O ATOM 608 CB LEU A 38 -5.437 -0.916 -8.615 1.00 72.43 C ATOM 609 CG LEU A 38 -5.437 0.417 -7.863 1.00 55.33 C ATOM 610 CD1 LEU A 38 -6.861 0.866 -7.579 1.00 70.11 C ATOM 611 CD2 LEU A 38 -4.652 0.293 -6.566 1.00 51.45 C ATOM 0 H LEU A 38 -6.393 -2.949 -9.680 1.00 63.53 H new ATOM 0 HA LEU A 38 -6.886 -0.121 -9.981 1.00 33.44 H new ATOM 0 HB2 LEU A 38 -5.927 -1.665 -7.992 1.00 72.43 H new ATOM 0 HB3 LEU A 38 -4.404 -1.238 -8.748 1.00 72.43 H new ATOM 0 HG LEU A 38 -4.956 1.168 -8.490 1.00 55.33 H new ATOM 0 HD11 LEU A 38 -6.843 1.815 -7.044 1.00 70.11 H new ATOM 0 HD12 LEU A 38 -7.398 0.990 -8.519 1.00 70.11 H new ATOM 0 HD13 LEU A 38 -7.365 0.115 -6.970 1.00 70.11 H new ATOM 0 HD21 LEU A 38 -4.661 1.249 -6.042 1.00 51.45 H new ATOM 0 HD22 LEU A 38 -5.109 -0.470 -5.936 1.00 51.45 H new ATOM 0 HD23 LEU A 38 -3.623 0.011 -6.789 1.00 51.45 H new ATOM 623 N THR A 39 -4.552 -1.539 -11.764 1.00 31.43 N ATOM 624 CA THR A 39 -3.664 -1.250 -12.878 1.00 31.35 C ATOM 625 C THR A 39 -4.471 -0.933 -14.131 1.00 32.42 C ATOM 626 O THR A 39 -4.040 -0.142 -14.971 1.00 30.32 O ATOM 627 CB THR A 39 -2.669 -2.403 -13.119 1.00 45.23 C ATOM 628 OG1 THR A 39 -1.537 -2.249 -12.263 1.00 64.00 O ATOM 629 CG2 THR A 39 -2.220 -2.501 -14.565 1.00 21.01 C ATOM 0 H THR A 39 -4.675 -2.529 -11.552 1.00 31.43 H new ATOM 0 HA THR A 39 -3.074 -0.369 -12.625 1.00 31.35 H new ATOM 0 HB THR A 39 -3.190 -3.332 -12.888 1.00 45.23 H new ATOM 0 HG1 THR A 39 -1.840 -2.081 -11.346 1.00 64.00 H new ATOM 0 HG21 THR A 39 -1.521 -3.330 -14.674 1.00 21.01 H new ATOM 0 HG22 THR A 39 -3.086 -2.671 -15.204 1.00 21.01 H new ATOM 0 HG23 THR A 39 -1.730 -1.572 -14.857 1.00 21.01 H new ATOM 637 N VAL A 40 -5.657 -1.525 -14.241 1.00 14.11 N ATOM 638 CA VAL A 40 -6.563 -1.198 -15.334 1.00 61.23 C ATOM 639 C VAL A 40 -6.981 0.268 -15.269 1.00 63.25 C ATOM 640 O VAL A 40 -7.110 0.927 -16.307 1.00 61.42 O ATOM 641 CB VAL A 40 -7.806 -2.113 -15.336 1.00 21.14 C ATOM 642 CG1 VAL A 40 -8.964 -1.488 -16.108 1.00 63.12 C ATOM 643 CG2 VAL A 40 -7.457 -3.464 -15.937 1.00 40.44 C ATOM 0 H VAL A 40 -6.010 -2.228 -13.592 1.00 14.11 H new ATOM 0 HA VAL A 40 -6.024 -1.367 -16.266 1.00 61.23 H new ATOM 0 HB VAL A 40 -8.123 -2.243 -14.301 1.00 21.14 H new ATOM 0 HG11 VAL A 40 -9.821 -2.161 -16.087 1.00 63.12 H new ATOM 0 HG12 VAL A 40 -9.238 -0.538 -15.648 1.00 63.12 H new ATOM 0 HG13 VAL A 40 -8.662 -1.317 -17.141 1.00 63.12 H new ATOM 0 HG21 VAL A 40 -8.340 -4.103 -15.934 1.00 40.44 H new ATOM 0 HG22 VAL A 40 -7.111 -3.328 -16.962 1.00 40.44 H new ATOM 0 HG23 VAL A 40 -6.669 -3.932 -15.347 1.00 40.44 H new ATOM 653 N VAL A 41 -7.197 0.790 -14.062 1.00 73.44 N ATOM 654 CA VAL A 41 -7.536 2.199 -13.937 1.00 75.51 C ATOM 655 C VAL A 41 -6.332 3.093 -14.258 1.00 45.50 C ATOM 656 O VAL A 41 -6.375 3.807 -15.262 1.00 34.40 O ATOM 657 CB VAL A 41 -8.191 2.574 -12.576 1.00 41.35 C ATOM 658 CG1 VAL A 41 -9.547 1.897 -12.439 1.00 63.42 C ATOM 659 CG2 VAL A 41 -7.311 2.225 -11.385 1.00 31.21 C ATOM 0 H VAL A 41 -7.145 0.274 -13.184 1.00 73.44 H new ATOM 0 HA VAL A 41 -8.307 2.386 -14.685 1.00 75.51 H new ATOM 0 HB VAL A 41 -8.319 3.656 -12.574 1.00 41.35 H new ATOM 0 HG11 VAL A 41 -9.994 2.168 -11.482 1.00 63.42 H new ATOM 0 HG12 VAL A 41 -10.199 2.222 -13.249 1.00 63.42 H new ATOM 0 HG13 VAL A 41 -9.420 0.815 -12.487 1.00 63.42 H new ATOM 0 HG21 VAL A 41 -7.818 2.509 -10.463 1.00 31.21 H new ATOM 0 HG22 VAL A 41 -7.117 1.152 -11.378 1.00 31.21 H new ATOM 0 HG23 VAL A 41 -6.366 2.764 -11.460 1.00 31.21 H new ATOM 669 N ASP A 42 -5.247 3.036 -13.462 1.00 5.14 N ATOM 670 CA ASP A 42 -4.068 3.875 -13.742 1.00 4.30 C ATOM 671 C ASP A 42 -2.923 3.698 -12.734 1.00 30.22 C ATOM 672 O ASP A 42 -2.280 4.670 -12.365 1.00 10.51 O ATOM 673 CB ASP A 42 -4.460 5.366 -13.817 1.00 13.33 C ATOM 674 CG ASP A 42 -5.113 5.908 -12.552 1.00 23.15 C ATOM 675 OD1 ASP A 42 -6.235 5.466 -12.222 1.00 12.25 O ATOM 676 OD2 ASP A 42 -4.543 6.825 -11.930 1.00 12.03 O ATOM 0 H ASP A 42 -5.162 2.435 -12.642 1.00 5.14 H new ATOM 0 HA ASP A 42 -3.695 3.534 -14.708 1.00 4.30 H new ATOM 0 HB2 ASP A 42 -3.567 5.954 -14.031 1.00 13.33 H new ATOM 0 HB3 ASP A 42 -5.144 5.508 -14.654 1.00 13.33 H new ATOM 681 N GLN A 43 -2.622 2.463 -12.325 1.00 74.23 N ATOM 682 CA GLN A 43 -1.437 2.235 -11.479 1.00 3.30 C ATOM 683 C GLN A 43 -0.148 2.357 -12.283 1.00 22.32 C ATOM 684 O GLN A 43 0.579 3.344 -12.199 1.00 24.03 O ATOM 685 CB GLN A 43 -1.421 0.842 -10.840 1.00 72.31 C ATOM 686 CG GLN A 43 -2.421 0.616 -9.730 1.00 0.14 C ATOM 687 CD GLN A 43 -2.077 -0.616 -8.915 1.00 55.23 C ATOM 688 OE1 GLN A 43 -2.480 -1.780 -9.398 1.00 72.30 O flip ATOM 689 NE2 GLN A 43 -1.417 -0.531 -7.886 1.00 33.11 N flip ATOM 0 H GLN A 43 -3.160 1.627 -12.554 1.00 74.23 H new ATOM 0 HA GLN A 43 -1.496 2.999 -10.703 1.00 3.30 H new ATOM 0 HB2 GLN A 43 -1.600 0.103 -11.621 1.00 72.31 H new ATOM 0 HB3 GLN A 43 -0.422 0.655 -10.447 1.00 72.31 H new ATOM 0 HG2 GLN A 43 -2.446 1.489 -9.078 1.00 0.14 H new ATOM 0 HG3 GLN A 43 -3.419 0.506 -10.155 1.00 0.14 H new ATOM 0 HE21 GLN A 43 -1.123 0.383 -7.543 1.00 33.11 H new ATOM 0 HE22 GLN A 43 -1.161 -1.375 -7.373 1.00 33.11 H new ATOM 698 N ASP A 44 0.117 1.319 -13.061 1.00 43.22 N ATOM 699 CA ASP A 44 1.410 1.134 -13.703 1.00 22.50 C ATOM 700 C ASP A 44 1.494 1.762 -15.103 1.00 11.33 C ATOM 701 O ASP A 44 2.443 2.495 -15.378 1.00 72.15 O ATOM 702 CB ASP A 44 1.734 -0.361 -13.759 1.00 72.31 C ATOM 703 CG ASP A 44 3.060 -0.650 -14.428 1.00 41.52 C ATOM 704 OD1 ASP A 44 4.114 -0.336 -13.838 1.00 64.40 O ATOM 705 OD2 ASP A 44 3.058 -1.212 -15.544 1.00 52.11 O ATOM 0 H ASP A 44 -0.557 0.581 -13.265 1.00 43.22 H new ATOM 0 HA ASP A 44 2.151 1.659 -13.100 1.00 22.50 H new ATOM 0 HB2 ASP A 44 1.748 -0.763 -12.746 1.00 72.31 H new ATOM 0 HB3 ASP A 44 0.940 -0.880 -14.297 1.00 72.31 H new ATOM 710 N PRO A 45 0.529 1.492 -16.019 1.00 74.15 N ATOM 711 CA PRO A 45 0.589 2.025 -17.392 1.00 41.15 C ATOM 712 C PRO A 45 0.608 3.550 -17.426 1.00 2.23 C ATOM 713 O PRO A 45 1.250 4.157 -18.285 1.00 74.43 O ATOM 714 CB PRO A 45 -0.680 1.488 -18.072 1.00 20.11 C ATOM 715 CG PRO A 45 -1.579 1.070 -16.964 1.00 64.43 C ATOM 716 CD PRO A 45 -0.663 0.651 -15.819 1.00 12.15 C ATOM 0 HA PRO A 45 1.506 1.715 -17.893 1.00 41.15 H new ATOM 0 HB2 PRO A 45 -1.149 2.254 -18.689 1.00 20.11 H new ATOM 0 HB3 PRO A 45 -0.449 0.648 -18.727 1.00 20.11 H new ATOM 0 HG2 PRO A 45 -2.233 1.888 -16.662 1.00 64.43 H new ATOM 0 HG3 PRO A 45 -2.222 0.245 -17.272 1.00 64.43 H new ATOM 0 HD2 PRO A 45 -1.124 0.830 -14.848 1.00 12.15 H new ATOM 0 HD3 PRO A 45 -0.420 -0.410 -15.865 1.00 12.15 H new ATOM 724 N GLY A 46 -0.084 4.165 -16.485 1.00 11.05 N ATOM 725 CA GLY A 46 -0.100 5.606 -16.407 1.00 22.53 C ATOM 726 C GLY A 46 0.633 6.092 -15.180 1.00 32.01 C ATOM 727 O GLY A 46 0.170 5.881 -14.064 1.00 71.13 O ATOM 0 H GLY A 46 -0.637 3.690 -15.771 1.00 11.05 H new ATOM 0 HA2 GLY A 46 0.361 6.027 -17.300 1.00 22.53 H new ATOM 0 HA3 GLY A 46 -1.130 5.961 -16.383 1.00 22.53 H new ATOM 731 N GLN A 47 1.779 6.729 -15.385 1.00 71.52 N ATOM 732 CA GLN A 47 2.595 7.208 -14.278 1.00 64.34 C ATOM 733 C GLN A 47 1.888 8.349 -13.548 1.00 55.01 C ATOM 734 O GLN A 47 2.028 9.520 -13.907 1.00 44.30 O ATOM 735 CB GLN A 47 3.970 7.662 -14.778 1.00 15.41 C ATOM 736 CG GLN A 47 4.943 8.017 -13.665 1.00 13.54 C ATOM 737 CD GLN A 47 6.302 8.432 -14.194 1.00 71.34 C ATOM 738 OE1 GLN A 47 6.543 9.608 -14.456 1.00 50.53 O ATOM 739 NE2 GLN A 47 7.197 7.471 -14.356 1.00 44.02 N ATOM 0 H GLN A 47 2.164 6.926 -16.309 1.00 71.52 H new ATOM 0 HA GLN A 47 2.739 6.386 -13.577 1.00 64.34 H new ATOM 0 HB2 GLN A 47 4.404 6.870 -15.388 1.00 15.41 H new ATOM 0 HB3 GLN A 47 3.842 8.529 -15.426 1.00 15.41 H new ATOM 0 HG2 GLN A 47 4.526 8.827 -13.067 1.00 13.54 H new ATOM 0 HG3 GLN A 47 5.061 7.160 -13.002 1.00 13.54 H new ATOM 0 HE21 GLN A 47 6.957 6.507 -14.127 1.00 44.02 H new ATOM 0 HE22 GLN A 47 8.127 7.695 -14.710 1.00 44.02 H new ATOM 748 N VAL A 48 1.105 7.986 -12.547 1.00 15.20 N ATOM 749 CA VAL A 48 0.330 8.945 -11.777 1.00 1.22 C ATOM 750 C VAL A 48 0.961 9.150 -10.403 1.00 52.21 C ATOM 751 O VAL A 48 1.719 8.301 -9.932 1.00 61.23 O ATOM 752 CB VAL A 48 -1.133 8.464 -11.624 1.00 44.15 C ATOM 753 CG1 VAL A 48 -1.200 7.174 -10.818 1.00 22.40 C ATOM 754 CG2 VAL A 48 -2.010 9.540 -11.001 1.00 52.44 C ATOM 0 H VAL A 48 0.988 7.019 -12.245 1.00 15.20 H new ATOM 0 HA VAL A 48 0.328 9.895 -12.311 1.00 1.22 H new ATOM 0 HB VAL A 48 -1.519 8.261 -12.623 1.00 44.15 H new ATOM 0 HG11 VAL A 48 -2.239 6.857 -10.725 1.00 22.40 H new ATOM 0 HG12 VAL A 48 -0.628 6.398 -11.326 1.00 22.40 H new ATOM 0 HG13 VAL A 48 -0.782 7.343 -9.826 1.00 22.40 H new ATOM 0 HG21 VAL A 48 -3.031 9.169 -10.908 1.00 52.44 H new ATOM 0 HG22 VAL A 48 -1.626 9.796 -10.014 1.00 52.44 H new ATOM 0 HG23 VAL A 48 -2.003 10.427 -11.634 1.00 52.44 H new ATOM 764 N GLU A 49 0.670 10.283 -9.781 1.00 51.31 N ATOM 765 CA GLU A 49 1.159 10.572 -8.448 1.00 62.33 C ATOM 766 C GLU A 49 0.156 10.104 -7.406 1.00 61.01 C ATOM 767 O GLU A 49 -0.976 10.597 -7.348 1.00 14.44 O ATOM 768 CB GLU A 49 1.434 12.068 -8.303 1.00 42.02 C ATOM 769 CG GLU A 49 1.828 12.484 -6.901 1.00 72.45 C ATOM 770 CD GLU A 49 2.592 13.784 -6.890 1.00 42.02 C ATOM 771 OE1 GLU A 49 2.041 14.814 -7.336 1.00 74.11 O ATOM 772 OE2 GLU A 49 3.757 13.779 -6.452 1.00 71.32 O ATOM 0 H GLU A 49 0.093 11.020 -10.185 1.00 51.31 H new ATOM 0 HA GLU A 49 2.093 10.033 -8.288 1.00 62.33 H new ATOM 0 HB2 GLU A 49 2.229 12.350 -8.993 1.00 42.02 H new ATOM 0 HB3 GLU A 49 0.543 12.622 -8.600 1.00 42.02 H new ATOM 0 HG2 GLU A 49 0.932 12.585 -6.288 1.00 72.45 H new ATOM 0 HG3 GLU A 49 2.438 11.702 -6.449 1.00 72.45 H new ATOM 779 N TRP A 50 0.570 9.146 -6.588 1.00 21.41 N ATOM 780 CA TRP A 50 -0.332 8.545 -5.624 1.00 30.43 C ATOM 781 C TRP A 50 0.420 7.776 -4.557 1.00 40.45 C ATOM 782 O TRP A 50 1.646 7.884 -4.439 1.00 10.20 O ATOM 783 CB TRP A 50 -1.312 7.619 -6.339 1.00 22.02 C ATOM 784 CG TRP A 50 -0.723 6.387 -6.956 1.00 0.41 C ATOM 785 CD1 TRP A 50 0.152 6.323 -7.999 1.00 12.25 C ATOM 786 CD2 TRP A 50 -1.006 5.032 -6.584 1.00 0.40 C ATOM 787 NE1 TRP A 50 0.434 5.014 -8.299 1.00 12.45 N ATOM 788 CE2 TRP A 50 -0.261 4.201 -7.442 1.00 43.33 C ATOM 789 CE3 TRP A 50 -1.812 4.441 -5.610 1.00 64.54 C ATOM 790 CZ2 TRP A 50 -0.300 2.812 -7.350 1.00 53.11 C ATOM 791 CZ3 TRP A 50 -1.849 3.064 -5.520 1.00 41.54 C ATOM 792 CH2 TRP A 50 -1.098 2.264 -6.387 1.00 55.21 C ATOM 0 H TRP A 50 1.519 8.772 -6.575 1.00 21.41 H new ATOM 0 HA TRP A 50 -0.879 9.349 -5.131 1.00 30.43 H new ATOM 0 HB2 TRP A 50 -2.078 7.313 -5.626 1.00 22.02 H new ATOM 0 HB3 TRP A 50 -1.814 8.188 -7.121 1.00 22.02 H new ATOM 0 HD1 TRP A 50 0.564 7.178 -8.514 1.00 12.25 H new ATOM 0 HE1 TRP A 50 1.060 4.697 -9.040 1.00 12.45 H new ATOM 0 HE3 TRP A 50 -2.397 5.051 -4.938 1.00 64.54 H new ATOM 0 HZ2 TRP A 50 0.280 2.191 -8.016 1.00 53.11 H new ATOM 0 HZ3 TRP A 50 -2.468 2.597 -4.768 1.00 41.54 H new ATOM 0 HH2 TRP A 50 -1.150 1.189 -6.293 1.00 55.21 H new ATOM 803 N PHE A 51 -0.321 7.008 -3.766 1.00 22.00 N ATOM 804 CA PHE A 51 0.282 6.180 -2.751 1.00 22.21 C ATOM 805 C PHE A 51 -0.735 5.256 -2.098 1.00 4.53 C ATOM 806 O PHE A 51 -1.947 5.453 -2.220 1.00 63.21 O ATOM 807 CB PHE A 51 0.945 7.055 -1.692 1.00 44.25 C ATOM 808 CG PHE A 51 -0.004 7.806 -0.805 1.00 50.53 C ATOM 809 CD1 PHE A 51 -0.541 9.021 -1.199 1.00 53.21 C ATOM 810 CD2 PHE A 51 -0.332 7.306 0.440 1.00 53.23 C ATOM 811 CE1 PHE A 51 -1.391 9.718 -0.365 1.00 45.02 C ATOM 812 CE2 PHE A 51 -1.181 7.993 1.273 1.00 71.02 C ATOM 813 CZ PHE A 51 -1.710 9.205 0.876 1.00 15.33 C ATOM 0 H PHE A 51 -1.338 6.948 -3.815 1.00 22.00 H new ATOM 0 HA PHE A 51 1.034 5.557 -3.235 1.00 22.21 H new ATOM 0 HB2 PHE A 51 1.581 6.426 -1.069 1.00 44.25 H new ATOM 0 HB3 PHE A 51 1.597 7.772 -2.191 1.00 44.25 H new ATOM 0 HD1 PHE A 51 -0.292 9.426 -2.168 1.00 53.21 H new ATOM 0 HD2 PHE A 51 0.084 6.363 0.763 1.00 53.23 H new ATOM 0 HE1 PHE A 51 -1.806 10.663 -0.683 1.00 45.02 H new ATOM 0 HE2 PHE A 51 -1.435 7.585 2.240 1.00 71.02 H new ATOM 0 HZ PHE A 51 -2.371 9.750 1.534 1.00 15.33 H new ATOM 823 N VAL A 52 -0.226 4.247 -1.412 1.00 11.25 N ATOM 824 CA VAL A 52 -1.057 3.372 -0.601 1.00 40.15 C ATOM 825 C VAL A 52 -0.678 3.526 0.867 1.00 41.53 C ATOM 826 O VAL A 52 0.505 3.475 1.222 1.00 44.21 O ATOM 827 CB VAL A 52 -0.948 1.886 -1.020 1.00 54.03 C ATOM 828 CG1 VAL A 52 -1.595 1.660 -2.375 1.00 40.11 C ATOM 829 CG2 VAL A 52 0.499 1.425 -1.044 1.00 60.42 C ATOM 0 H VAL A 52 0.766 4.012 -1.401 1.00 11.25 H new ATOM 0 HA VAL A 52 -2.093 3.671 -0.758 1.00 40.15 H new ATOM 0 HB VAL A 52 -1.480 1.293 -0.276 1.00 54.03 H new ATOM 0 HG11 VAL A 52 -1.507 0.609 -2.650 1.00 40.11 H new ATOM 0 HG12 VAL A 52 -2.649 1.935 -2.325 1.00 40.11 H new ATOM 0 HG13 VAL A 52 -1.095 2.274 -3.124 1.00 40.11 H new ATOM 0 HG21 VAL A 52 0.542 0.377 -1.342 1.00 60.42 H new ATOM 0 HG22 VAL A 52 1.061 2.028 -1.757 1.00 60.42 H new ATOM 0 HG23 VAL A 52 0.933 1.538 -0.051 1.00 60.42 H new ATOM 839 N LEU A 53 -1.664 3.743 1.719 1.00 72.45 N ATOM 840 CA LEU A 53 -1.379 3.988 3.121 1.00 53.14 C ATOM 841 C LEU A 53 -2.178 3.070 4.035 1.00 32.21 C ATOM 842 O LEU A 53 -3.079 2.350 3.604 1.00 44.10 O ATOM 843 CB LEU A 53 -1.617 5.459 3.495 1.00 10.03 C ATOM 844 CG LEU A 53 -3.067 5.874 3.766 1.00 2.32 C ATOM 845 CD1 LEU A 53 -3.105 7.297 4.302 1.00 15.53 C ATOM 846 CD2 LEU A 53 -3.912 5.763 2.511 1.00 52.00 C ATOM 0 H LEU A 53 -2.653 3.755 1.471 1.00 72.45 H new ATOM 0 HA LEU A 53 -0.322 3.764 3.268 1.00 53.14 H new ATOM 0 HB2 LEU A 53 -1.027 5.684 4.383 1.00 10.03 H new ATOM 0 HB3 LEU A 53 -1.230 6.082 2.689 1.00 10.03 H new ATOM 0 HG LEU A 53 -3.484 5.197 4.512 1.00 2.32 H new ATOM 0 HD11 LEU A 53 -4.138 7.586 4.493 1.00 15.53 H new ATOM 0 HD12 LEU A 53 -2.536 7.352 5.230 1.00 15.53 H new ATOM 0 HD13 LEU A 53 -2.668 7.974 3.568 1.00 15.53 H new ATOM 0 HD21 LEU A 53 -4.936 6.064 2.734 1.00 52.00 H new ATOM 0 HD22 LEU A 53 -3.503 6.414 1.738 1.00 52.00 H new ATOM 0 HD23 LEU A 53 -3.906 4.732 2.158 1.00 52.00 H new ATOM 858 N ASN A 54 -1.806 3.098 5.300 1.00 3.14 N ATOM 859 CA ASN A 54 -2.413 2.262 6.324 1.00 51.40 C ATOM 860 C ASN A 54 -3.731 2.821 6.844 1.00 51.15 C ATOM 861 O ASN A 54 -3.817 3.988 7.222 1.00 72.44 O ATOM 862 CB ASN A 54 -1.439 2.135 7.495 1.00 12.32 C ATOM 863 CG ASN A 54 -2.037 1.467 8.711 1.00 55.24 C ATOM 864 OD1 ASN A 54 -1.987 0.250 8.844 1.00 41.34 O ATOM 865 ND2 ASN A 54 -2.580 2.265 9.621 1.00 2.42 N ATOM 0 H ASN A 54 -1.067 3.707 5.652 1.00 3.14 H new ATOM 0 HA ASN A 54 -2.626 1.295 5.869 1.00 51.40 H new ATOM 0 HB2 ASN A 54 -0.567 1.567 7.171 1.00 12.32 H new ATOM 0 HB3 ASN A 54 -1.087 3.128 7.773 1.00 12.32 H new ATOM 0 HD21 ASN A 54 -2.978 1.870 10.473 1.00 2.42 H new ATOM 0 HD22 ASN A 54 -2.600 3.273 9.468 1.00 2.42 H new ATOM 872 N ALA A 55 -4.748 1.971 6.873 1.00 72.24 N ATOM 873 CA ALA A 55 -5.934 2.242 7.666 1.00 2.53 C ATOM 874 C ALA A 55 -5.698 1.686 9.062 1.00 74.23 C ATOM 875 O ALA A 55 -5.126 0.611 9.205 1.00 63.23 O ATOM 876 CB ALA A 55 -7.173 1.619 7.043 1.00 23.42 C ATOM 0 H ALA A 55 -4.774 1.091 6.358 1.00 72.24 H new ATOM 0 HA ALA A 55 -6.109 3.317 7.709 1.00 2.53 H new ATOM 0 HB1 ALA A 55 -8.042 1.841 7.662 1.00 23.42 H new ATOM 0 HB2 ALA A 55 -7.324 2.030 6.045 1.00 23.42 H new ATOM 0 HB3 ALA A 55 -7.042 0.539 6.975 1.00 23.42 H new ATOM 882 N GLU A 56 -6.133 2.397 10.085 1.00 2.24 N ATOM 883 CA GLU A 56 -5.757 2.076 11.464 1.00 24.00 C ATOM 884 C GLU A 56 -6.433 0.807 12.004 1.00 21.23 C ATOM 885 O GLU A 56 -6.559 0.648 13.215 1.00 72.53 O ATOM 886 CB GLU A 56 -6.099 3.258 12.368 1.00 34.12 C ATOM 887 CG GLU A 56 -7.565 3.652 12.316 1.00 55.21 C ATOM 888 CD GLU A 56 -7.914 4.696 13.348 1.00 63.12 C ATOM 889 OE1 GLU A 56 -8.229 4.315 14.493 1.00 14.02 O ATOM 890 OE2 GLU A 56 -7.869 5.901 13.021 1.00 31.44 O ATOM 0 H GLU A 56 -6.749 3.205 9.995 1.00 2.24 H new ATOM 0 HA GLU A 56 -4.685 1.881 11.461 1.00 24.00 H new ATOM 0 HB2 GLU A 56 -5.833 3.009 13.395 1.00 34.12 H new ATOM 0 HB3 GLU A 56 -5.490 4.115 12.080 1.00 34.12 H new ATOM 0 HG2 GLU A 56 -7.802 4.033 11.323 1.00 55.21 H new ATOM 0 HG3 GLU A 56 -8.182 2.768 12.474 1.00 55.21 H new ATOM 897 N SER A 57 -6.821 -0.114 11.133 1.00 30.23 N ATOM 898 CA SER A 57 -7.550 -1.294 11.583 1.00 50.33 C ATOM 899 C SER A 57 -7.119 -2.583 10.874 1.00 4.12 C ATOM 900 O SER A 57 -7.658 -3.650 11.157 1.00 34.23 O ATOM 901 CB SER A 57 -9.053 -1.070 11.407 1.00 13.14 C ATOM 902 OG SER A 57 -9.503 0.030 12.182 1.00 24.20 O ATOM 0 H SER A 57 -6.648 -0.071 10.129 1.00 30.23 H new ATOM 0 HA SER A 57 -7.310 -1.431 12.638 1.00 50.33 H new ATOM 0 HB2 SER A 57 -9.276 -0.892 10.355 1.00 13.14 H new ATOM 0 HB3 SER A 57 -9.594 -1.970 11.700 1.00 13.14 H new ATOM 0 HG SER A 57 -10.466 0.151 12.049 1.00 24.20 H new ATOM 908 N ASN A 58 -6.129 -2.514 9.983 1.00 51.44 N ATOM 909 CA ASN A 58 -5.702 -3.722 9.273 1.00 73.22 C ATOM 910 C ASN A 58 -4.737 -4.542 10.135 1.00 34.43 C ATOM 911 O ASN A 58 -3.523 -4.458 10.009 1.00 63.03 O ATOM 912 CB ASN A 58 -5.104 -3.402 7.880 1.00 0.21 C ATOM 913 CG ASN A 58 -3.800 -2.626 7.903 1.00 64.11 C ATOM 914 OD1 ASN A 58 -2.709 -3.196 7.851 1.00 1.42 O ATOM 915 ND2 ASN A 58 -3.901 -1.317 7.956 1.00 64.31 N ATOM 0 H ASN A 58 -5.621 -1.664 9.740 1.00 51.44 H new ATOM 0 HA ASN A 58 -6.589 -4.329 9.091 1.00 73.22 H new ATOM 0 HB2 ASN A 58 -4.942 -4.339 7.347 1.00 0.21 H new ATOM 0 HB3 ASN A 58 -5.838 -2.833 7.309 1.00 0.21 H new ATOM 0 HD21 ASN A 58 -3.060 -0.740 7.955 1.00 64.31 H new ATOM 0 HD22 ASN A 58 -4.821 -0.878 7.998 1.00 64.31 H new ATOM 922 N VAL A 59 -5.294 -5.313 11.052 1.00 25.41 N ATOM 923 CA VAL A 59 -4.482 -6.115 11.954 1.00 71.21 C ATOM 924 C VAL A 59 -4.662 -7.601 11.673 1.00 31.01 C ATOM 925 O VAL A 59 -3.694 -8.324 11.451 1.00 30.14 O ATOM 926 CB VAL A 59 -4.831 -5.828 13.427 1.00 71.23 C ATOM 927 CG1 VAL A 59 -3.908 -6.600 14.357 1.00 62.22 C ATOM 928 CG2 VAL A 59 -4.758 -4.334 13.718 1.00 72.45 C ATOM 0 H VAL A 59 -6.300 -5.402 11.193 1.00 25.41 H new ATOM 0 HA VAL A 59 -3.442 -5.841 11.779 1.00 71.21 H new ATOM 0 HB VAL A 59 -5.854 -6.160 13.605 1.00 71.23 H new ATOM 0 HG11 VAL A 59 -4.171 -6.384 15.392 1.00 62.22 H new ATOM 0 HG12 VAL A 59 -4.015 -7.669 14.171 1.00 62.22 H new ATOM 0 HG13 VAL A 59 -2.876 -6.302 14.175 1.00 62.22 H new ATOM 0 HG21 VAL A 59 -5.008 -4.154 14.764 1.00 72.45 H new ATOM 0 HG22 VAL A 59 -3.749 -3.973 13.519 1.00 72.45 H new ATOM 0 HG23 VAL A 59 -5.465 -3.804 13.080 1.00 72.45 H new ATOM 938 N GLU A 60 -5.911 -8.046 11.654 1.00 15.44 N ATOM 939 CA GLU A 60 -6.212 -9.456 11.468 1.00 12.11 C ATOM 940 C GLU A 60 -6.663 -9.691 10.044 1.00 3.01 C ATOM 941 O GLU A 60 -6.974 -10.810 9.638 1.00 60.32 O ATOM 942 CB GLU A 60 -7.315 -9.888 12.427 1.00 5.15 C ATOM 943 CG GLU A 60 -7.017 -9.555 13.879 1.00 41.33 C ATOM 944 CD GLU A 60 -7.991 -10.207 14.829 1.00 75.25 C ATOM 945 OE1 GLU A 60 -9.173 -9.803 14.848 1.00 72.51 O ATOM 946 OE2 GLU A 60 -7.579 -11.139 15.549 1.00 53.14 O ATOM 0 H GLU A 60 -6.731 -7.450 11.765 1.00 15.44 H new ATOM 0 HA GLU A 60 -5.315 -10.041 11.671 1.00 12.11 H new ATOM 0 HB2 GLU A 60 -8.249 -9.407 12.136 1.00 5.15 H new ATOM 0 HB3 GLU A 60 -7.468 -10.963 12.333 1.00 5.15 H new ATOM 0 HG2 GLU A 60 -6.005 -9.877 14.123 1.00 41.33 H new ATOM 0 HG3 GLU A 60 -7.049 -8.474 14.015 1.00 41.33 H new ATOM 953 N VAL A 61 -6.685 -8.611 9.297 1.00 2.21 N ATOM 954 CA VAL A 61 -7.235 -8.611 7.965 1.00 62.54 C ATOM 955 C VAL A 61 -6.201 -9.064 6.947 1.00 1.25 C ATOM 956 O VAL A 61 -6.537 -9.557 5.869 1.00 4.23 O ATOM 957 CB VAL A 61 -7.730 -7.196 7.597 1.00 12.11 C ATOM 958 CG1 VAL A 61 -8.474 -6.571 8.769 1.00 15.10 C ATOM 959 CG2 VAL A 61 -6.579 -6.306 7.158 1.00 31.41 C ATOM 0 H VAL A 61 -6.321 -7.707 9.598 1.00 2.21 H new ATOM 0 HA VAL A 61 -8.072 -9.309 7.947 1.00 62.54 H new ATOM 0 HB VAL A 61 -8.418 -7.289 6.757 1.00 12.11 H new ATOM 0 HG11 VAL A 61 -8.816 -5.574 8.493 1.00 15.10 H new ATOM 0 HG12 VAL A 61 -9.333 -7.191 9.027 1.00 15.10 H new ATOM 0 HG13 VAL A 61 -7.806 -6.500 9.628 1.00 15.10 H new ATOM 0 HG21 VAL A 61 -6.960 -5.316 6.906 1.00 31.41 H new ATOM 0 HG22 VAL A 61 -5.856 -6.220 7.969 1.00 31.41 H new ATOM 0 HG23 VAL A 61 -6.095 -6.742 6.284 1.00 31.41 H new ATOM 969 N ASP A 62 -4.949 -8.948 7.332 1.00 44.44 N ATOM 970 CA ASP A 62 -3.855 -8.984 6.388 1.00 53.13 C ATOM 971 C ASP A 62 -2.820 -10.033 6.777 1.00 64.12 C ATOM 972 O ASP A 62 -2.235 -9.973 7.860 1.00 5.35 O ATOM 973 CB ASP A 62 -3.249 -7.588 6.343 1.00 72.13 C ATOM 974 CG ASP A 62 -2.012 -7.490 5.495 1.00 72.13 C ATOM 975 OD1 ASP A 62 -2.139 -7.492 4.252 1.00 10.14 O ATOM 976 OD2 ASP A 62 -0.916 -7.341 6.069 1.00 24.04 O ATOM 0 H ASP A 62 -4.662 -8.827 8.303 1.00 44.44 H new ATOM 0 HA ASP A 62 -4.215 -9.269 5.400 1.00 53.13 H new ATOM 0 HB2 ASP A 62 -3.995 -6.890 5.962 1.00 72.13 H new ATOM 0 HB3 ASP A 62 -3.008 -7.274 7.359 1.00 72.13 H new ATOM 981 N LEU A 63 -2.617 -11.005 5.895 1.00 63.44 N ATOM 982 CA LEU A 63 -1.737 -12.132 6.184 1.00 61.32 C ATOM 983 C LEU A 63 -0.823 -12.407 4.995 1.00 31.10 C ATOM 984 O LEU A 63 -1.292 -12.534 3.867 1.00 64.24 O ATOM 985 CB LEU A 63 -2.543 -13.402 6.504 1.00 2.02 C ATOM 986 CG LEU A 63 -3.320 -13.417 7.833 1.00 40.22 C ATOM 987 CD1 LEU A 63 -4.575 -12.561 7.760 1.00 33.23 C ATOM 988 CD2 LEU A 63 -3.686 -14.841 8.209 1.00 35.11 C ATOM 0 H LEU A 63 -3.051 -11.036 4.972 1.00 63.44 H new ATOM 0 HA LEU A 63 -1.139 -11.867 7.056 1.00 61.32 H new ATOM 0 HB2 LEU A 63 -3.253 -13.566 5.694 1.00 2.02 H new ATOM 0 HB3 LEU A 63 -1.857 -14.249 6.503 1.00 2.02 H new ATOM 0 HG LEU A 63 -2.671 -12.994 8.600 1.00 40.22 H new ATOM 0 HD11 LEU A 63 -5.096 -12.597 8.717 1.00 33.23 H new ATOM 0 HD12 LEU A 63 -4.300 -11.531 7.535 1.00 33.23 H new ATOM 0 HD13 LEU A 63 -5.230 -12.941 6.976 1.00 33.23 H new ATOM 0 HD21 LEU A 63 -4.235 -14.839 9.151 1.00 35.11 H new ATOM 0 HD22 LEU A 63 -4.309 -15.275 7.427 1.00 35.11 H new ATOM 0 HD23 LEU A 63 -2.777 -15.433 8.320 1.00 35.11 H new ATOM 1000 N THR A 64 0.479 -12.503 5.257 1.00 10.13 N ATOM 1001 CA THR A 64 1.465 -12.775 4.208 1.00 53.14 C ATOM 1002 C THR A 64 1.504 -11.610 3.207 1.00 13.32 C ATOM 1003 O THR A 64 1.776 -11.782 1.999 1.00 14.43 O ATOM 1004 CB THR A 64 1.153 -14.110 3.487 1.00 71.35 C ATOM 1005 OG1 THR A 64 0.827 -15.120 4.456 1.00 52.10 O ATOM 1006 CG2 THR A 64 2.343 -14.587 2.665 1.00 23.24 C ATOM 0 H THR A 64 0.879 -12.396 6.189 1.00 10.13 H new ATOM 0 HA THR A 64 2.447 -12.870 4.672 1.00 53.14 H new ATOM 0 HB THR A 64 0.310 -13.938 2.818 1.00 71.35 H new ATOM 0 HG1 THR A 64 0.629 -15.962 3.996 1.00 52.10 H new ATOM 0 HG21 THR A 64 2.092 -15.526 2.172 1.00 23.24 H new ATOM 0 HG22 THR A 64 2.590 -13.837 1.913 1.00 23.24 H new ATOM 0 HG23 THR A 64 3.200 -14.740 3.321 1.00 23.24 H new ATOM 1014 N ALA A 65 1.273 -10.414 3.742 1.00 23.11 N ATOM 1015 CA ALA A 65 1.239 -9.200 2.949 1.00 61.10 C ATOM 1016 C ALA A 65 2.574 -8.959 2.288 1.00 30.31 C ATOM 1017 O ALA A 65 2.634 -8.589 1.128 1.00 44.44 O ATOM 1018 CB ALA A 65 0.882 -8.006 3.807 1.00 13.02 C ATOM 0 H ALA A 65 1.105 -10.265 4.737 1.00 23.11 H new ATOM 0 HA ALA A 65 0.476 -9.327 2.181 1.00 61.10 H new ATOM 0 HB1 ALA A 65 0.863 -7.107 3.190 1.00 13.02 H new ATOM 0 HB2 ALA A 65 -0.100 -8.160 4.254 1.00 13.02 H new ATOM 0 HB3 ALA A 65 1.626 -7.889 4.595 1.00 13.02 H new ATOM 1024 N LEU A 66 3.644 -9.171 3.031 1.00 21.10 N ATOM 1025 CA LEU A 66 4.975 -8.970 2.487 1.00 73.42 C ATOM 1026 C LEU A 66 5.168 -9.727 1.186 1.00 72.33 C ATOM 1027 O LEU A 66 5.572 -9.146 0.186 1.00 63.51 O ATOM 1028 CB LEU A 66 6.091 -9.308 3.494 1.00 13.34 C ATOM 1029 CG LEU A 66 6.210 -10.735 4.103 1.00 13.03 C ATOM 1030 CD1 LEU A 66 4.864 -11.338 4.488 1.00 65.21 C ATOM 1031 CD2 LEU A 66 6.975 -11.676 3.183 1.00 45.55 C ATOM 0 H LEU A 66 3.620 -9.479 4.003 1.00 21.10 H new ATOM 0 HA LEU A 66 5.056 -7.904 2.274 1.00 73.42 H new ATOM 0 HB2 LEU A 66 7.040 -9.088 3.005 1.00 13.34 H new ATOM 0 HB3 LEU A 66 5.992 -8.612 4.327 1.00 13.34 H new ATOM 0 HG LEU A 66 6.777 -10.615 5.026 1.00 13.03 H new ATOM 0 HD11 LEU A 66 5.017 -12.333 4.906 1.00 65.21 H new ATOM 0 HD12 LEU A 66 4.380 -10.703 5.230 1.00 65.21 H new ATOM 0 HD13 LEU A 66 4.231 -11.410 3.603 1.00 65.21 H new ATOM 0 HD21 LEU A 66 7.038 -12.663 3.642 1.00 45.55 H new ATOM 0 HD22 LEU A 66 6.456 -11.753 2.228 1.00 45.55 H new ATOM 0 HD23 LEU A 66 7.980 -11.288 3.020 1.00 45.55 H new ATOM 1043 N ASP A 67 4.824 -10.997 1.182 1.00 33.43 N ATOM 1044 CA ASP A 67 5.054 -11.813 0.014 1.00 45.43 C ATOM 1045 C ASP A 67 4.216 -11.294 -1.137 1.00 51.21 C ATOM 1046 O ASP A 67 4.726 -10.623 -2.037 1.00 23.12 O ATOM 1047 CB ASP A 67 4.730 -13.281 0.298 1.00 33.30 C ATOM 1048 CG ASP A 67 5.255 -14.209 -0.779 1.00 4.33 C ATOM 1049 OD1 ASP A 67 4.581 -14.372 -1.818 1.00 51.32 O ATOM 1050 OD2 ASP A 67 6.345 -14.791 -0.587 1.00 64.44 O ATOM 0 H ASP A 67 4.388 -11.481 1.967 1.00 33.43 H new ATOM 0 HA ASP A 67 6.109 -11.754 -0.255 1.00 45.43 H new ATOM 0 HB2 ASP A 67 5.159 -13.565 1.259 1.00 33.30 H new ATOM 0 HB3 ASP A 67 3.650 -13.402 0.383 1.00 33.30 H new ATOM 1055 N ALA A 68 2.915 -11.528 -1.061 1.00 12.42 N ATOM 1056 CA ALA A 68 2.032 -11.199 -2.169 1.00 21.35 C ATOM 1057 C ALA A 68 1.971 -9.693 -2.399 1.00 15.45 C ATOM 1058 O ALA A 68 2.234 -9.207 -3.499 1.00 23.44 O ATOM 1059 CB ALA A 68 0.638 -11.753 -1.921 1.00 20.10 C ATOM 0 H ALA A 68 2.451 -11.940 -0.252 1.00 12.42 H new ATOM 0 HA ALA A 68 2.439 -11.661 -3.069 1.00 21.35 H new ATOM 0 HB1 ALA A 68 -0.010 -11.498 -2.760 1.00 20.10 H new ATOM 0 HB2 ALA A 68 0.690 -12.837 -1.820 1.00 20.10 H new ATOM 0 HB3 ALA A 68 0.233 -11.322 -1.005 1.00 20.10 H new ATOM 1065 N LEU A 69 1.676 -8.964 -1.340 1.00 10.23 N ATOM 1066 CA LEU A 69 1.354 -7.555 -1.443 1.00 4.45 C ATOM 1067 C LEU A 69 2.599 -6.663 -1.532 1.00 32.21 C ATOM 1068 O LEU A 69 2.605 -5.722 -2.319 1.00 54.23 O ATOM 1069 CB LEU A 69 0.446 -7.154 -0.269 1.00 34.45 C ATOM 1070 CG LEU A 69 0.113 -5.667 -0.156 1.00 33.12 C ATOM 1071 CD1 LEU A 69 -1.258 -5.483 0.471 1.00 45.41 C ATOM 1072 CD2 LEU A 69 1.160 -4.954 0.680 1.00 63.32 C ATOM 0 H LEU A 69 1.653 -9.330 -0.388 1.00 10.23 H new ATOM 0 HA LEU A 69 0.819 -7.398 -2.380 1.00 4.45 H new ATOM 0 HB2 LEU A 69 -0.488 -7.710 -0.352 1.00 34.45 H new ATOM 0 HB3 LEU A 69 0.924 -7.470 0.658 1.00 34.45 H new ATOM 0 HG LEU A 69 0.107 -5.237 -1.157 1.00 33.12 H new ATOM 0 HD11 LEU A 69 -1.484 -4.419 0.546 1.00 45.41 H new ATOM 0 HD12 LEU A 69 -2.010 -5.971 -0.149 1.00 45.41 H new ATOM 0 HD13 LEU A 69 -1.265 -5.927 1.467 1.00 45.41 H new ATOM 0 HD21 LEU A 69 0.909 -3.896 0.752 1.00 63.32 H new ATOM 0 HD22 LEU A 69 1.186 -5.389 1.679 1.00 63.32 H new ATOM 0 HD23 LEU A 69 2.137 -5.064 0.211 1.00 63.32 H new ATOM 1084 N ASP A 70 3.653 -6.933 -0.753 1.00 40.02 N ATOM 1085 CA ASP A 70 4.821 -6.050 -0.785 1.00 75.31 C ATOM 1086 C ASP A 70 5.538 -6.228 -2.093 1.00 14.13 C ATOM 1087 O ASP A 70 5.978 -5.257 -2.707 1.00 10.22 O ATOM 1088 CB ASP A 70 5.805 -6.314 0.348 1.00 61.41 C ATOM 1089 CG ASP A 70 6.828 -5.197 0.505 1.00 65.10 C ATOM 1090 OD1 ASP A 70 6.487 -4.148 1.099 1.00 73.14 O ATOM 1091 OD2 ASP A 70 7.969 -5.352 0.031 1.00 73.23 O ATOM 0 H ASP A 70 3.721 -7.726 -0.115 1.00 40.02 H new ATOM 0 HA ASP A 70 4.451 -5.032 -0.665 1.00 75.31 H new ATOM 0 HB2 ASP A 70 5.255 -6.433 1.282 1.00 61.41 H new ATOM 0 HB3 ASP A 70 6.324 -7.254 0.162 1.00 61.41 H new ATOM 1096 N GLN A 71 5.635 -7.480 -2.525 1.00 2.10 N ATOM 1097 CA GLN A 71 6.218 -7.776 -3.810 1.00 73.12 C ATOM 1098 C GLN A 71 5.489 -7.021 -4.908 1.00 55.44 C ATOM 1099 O GLN A 71 6.119 -6.328 -5.698 1.00 73.41 O ATOM 1100 CB GLN A 71 6.170 -9.269 -4.060 1.00 13.52 C ATOM 1101 CG GLN A 71 6.297 -9.672 -5.514 1.00 43.20 C ATOM 1102 CD GLN A 71 6.247 -11.175 -5.678 1.00 13.51 C ATOM 1103 OE1 GLN A 71 5.601 -11.846 -4.734 1.00 23.54 O flip ATOM 1104 NE2 GLN A 71 6.800 -11.727 -6.633 1.00 71.13 N flip ATOM 0 H GLN A 71 5.317 -8.296 -2.002 1.00 2.10 H new ATOM 0 HA GLN A 71 7.259 -7.454 -3.814 1.00 73.12 H new ATOM 0 HB2 GLN A 71 6.971 -9.744 -3.494 1.00 13.52 H new ATOM 0 HB3 GLN A 71 5.230 -9.659 -3.670 1.00 13.52 H new ATOM 0 HG2 GLN A 71 5.493 -9.215 -6.091 1.00 43.20 H new ATOM 0 HG3 GLN A 71 7.235 -9.292 -5.918 1.00 43.20 H new ATOM 0 HE21 GLN A 71 7.285 -11.167 -7.335 1.00 71.13 H new ATOM 0 HE22 GLN A 71 6.772 -12.743 -6.721 1.00 71.13 H new ATOM 1113 N LEU A 72 4.162 -7.121 -4.940 1.00 1.32 N ATOM 1114 CA LEU A 72 3.404 -6.456 -5.987 1.00 22.15 C ATOM 1115 C LEU A 72 3.461 -4.937 -5.821 1.00 63.41 C ATOM 1116 O LEU A 72 3.610 -4.213 -6.800 1.00 14.44 O ATOM 1117 CB LEU A 72 1.949 -6.975 -6.062 1.00 53.34 C ATOM 1118 CG LEU A 72 1.010 -6.635 -4.893 1.00 71.43 C ATOM 1119 CD1 LEU A 72 0.433 -5.234 -5.039 1.00 21.13 C ATOM 1120 CD2 LEU A 72 -0.118 -7.650 -4.809 1.00 21.11 C ATOM 0 H LEU A 72 3.603 -7.645 -4.267 1.00 1.32 H new ATOM 0 HA LEU A 72 3.871 -6.701 -6.941 1.00 22.15 H new ATOM 0 HB2 LEU A 72 1.501 -6.587 -6.977 1.00 53.34 H new ATOM 0 HB3 LEU A 72 1.984 -8.060 -6.160 1.00 53.34 H new ATOM 0 HG LEU A 72 1.596 -6.671 -3.974 1.00 71.43 H new ATOM 0 HD11 LEU A 72 -0.227 -5.023 -4.198 1.00 21.13 H new ATOM 0 HD12 LEU A 72 1.244 -4.506 -5.056 1.00 21.13 H new ATOM 0 HD13 LEU A 72 -0.132 -5.168 -5.969 1.00 21.13 H new ATOM 0 HD21 LEU A 72 -0.775 -7.396 -3.977 1.00 21.11 H new ATOM 0 HD22 LEU A 72 -0.688 -7.638 -5.738 1.00 21.11 H new ATOM 0 HD23 LEU A 72 0.299 -8.645 -4.652 1.00 21.11 H new ATOM 1132 N ARG A 73 3.380 -4.442 -4.590 1.00 14.01 N ATOM 1133 CA ARG A 73 3.366 -3.001 -4.397 1.00 73.12 C ATOM 1134 C ARG A 73 4.715 -2.406 -4.764 1.00 64.31 C ATOM 1135 O ARG A 73 4.769 -1.433 -5.497 1.00 41.23 O ATOM 1136 CB ARG A 73 2.932 -2.584 -2.978 1.00 2.44 C ATOM 1137 CG ARG A 73 3.901 -2.934 -1.857 1.00 72.44 C ATOM 1138 CD ARG A 73 3.395 -2.412 -0.517 1.00 33.45 C ATOM 1139 NE ARG A 73 4.178 -2.922 0.612 1.00 72.01 N ATOM 1140 CZ ARG A 73 3.790 -2.874 1.889 1.00 40.54 C ATOM 1141 NH1 ARG A 73 2.663 -2.257 2.233 1.00 74.04 N ATOM 1142 NH2 ARG A 73 4.550 -3.432 2.821 1.00 51.30 N ATOM 0 H ARG A 73 3.325 -4.999 -3.737 1.00 14.01 H new ATOM 0 HA ARG A 73 2.609 -2.597 -5.069 1.00 73.12 H new ATOM 0 HB2 ARG A 73 2.772 -1.506 -2.970 1.00 2.44 H new ATOM 0 HB3 ARG A 73 1.971 -3.051 -2.761 1.00 2.44 H new ATOM 0 HG2 ARG A 73 4.029 -4.015 -1.806 1.00 72.44 H new ATOM 0 HG3 ARG A 73 4.881 -2.507 -2.071 1.00 72.44 H new ATOM 0 HD2 ARG A 73 3.430 -1.323 -0.518 1.00 33.45 H new ATOM 0 HD3 ARG A 73 2.351 -2.697 -0.390 1.00 33.45 H new ATOM 0 HE ARG A 73 5.084 -3.344 0.408 1.00 72.01 H new ATOM 0 HH11 ARG A 73 2.085 -1.814 1.518 1.00 74.04 H new ATOM 0 HH12 ARG A 73 2.376 -2.227 3.211 1.00 74.04 H new ATOM 0 HH21 ARG A 73 5.422 -3.892 2.560 1.00 51.30 H new ATOM 0 HH22 ARG A 73 4.263 -3.401 3.799 1.00 51.30 H new ATOM 1156 N THR A 74 5.806 -3.015 -4.316 1.00 3.24 N ATOM 1157 CA THR A 74 7.125 -2.489 -4.634 1.00 14.33 C ATOM 1158 C THR A 74 7.398 -2.636 -6.132 1.00 42.44 C ATOM 1159 O THR A 74 7.944 -1.737 -6.756 1.00 74.03 O ATOM 1160 CB THR A 74 8.249 -3.170 -3.807 1.00 21.33 C ATOM 1161 OG1 THR A 74 9.414 -2.334 -3.785 1.00 72.41 O ATOM 1162 CG2 THR A 74 8.632 -4.528 -4.375 1.00 63.11 C ATOM 0 H THR A 74 5.805 -3.858 -3.742 1.00 3.24 H new ATOM 0 HA THR A 74 7.130 -1.433 -4.365 1.00 14.33 H new ATOM 0 HB THR A 74 7.863 -3.316 -2.798 1.00 21.33 H new ATOM 0 HG1 THR A 74 9.454 -1.851 -2.933 1.00 72.41 H new ATOM 0 HG21 THR A 74 9.421 -4.968 -3.765 1.00 63.11 H new ATOM 0 HG22 THR A 74 7.761 -5.184 -4.369 1.00 63.11 H new ATOM 0 HG23 THR A 74 8.988 -4.407 -5.398 1.00 63.11 H new ATOM 1170 N GLU A 75 6.959 -3.755 -6.697 1.00 61.02 N ATOM 1171 CA GLU A 75 7.161 -4.063 -8.107 1.00 20.31 C ATOM 1172 C GLU A 75 6.637 -2.940 -9.008 1.00 52.03 C ATOM 1173 O GLU A 75 7.362 -2.443 -9.867 1.00 20.43 O ATOM 1174 CB GLU A 75 6.472 -5.401 -8.410 1.00 74.31 C ATOM 1175 CG GLU A 75 6.157 -5.673 -9.879 1.00 62.42 C ATOM 1176 CD GLU A 75 7.376 -5.797 -10.773 1.00 40.10 C ATOM 1177 OE1 GLU A 75 8.465 -6.136 -10.273 1.00 23.14 O ATOM 1178 OE2 GLU A 75 7.234 -5.589 -11.999 1.00 1.33 O ATOM 0 H GLU A 75 6.451 -4.477 -6.187 1.00 61.02 H new ATOM 0 HA GLU A 75 8.228 -4.146 -8.316 1.00 20.31 H new ATOM 0 HB2 GLU A 75 7.107 -6.206 -8.040 1.00 74.31 H new ATOM 0 HB3 GLU A 75 5.541 -5.444 -7.845 1.00 74.31 H new ATOM 0 HG2 GLU A 75 5.577 -6.593 -9.948 1.00 62.42 H new ATOM 0 HG3 GLU A 75 5.526 -4.869 -10.257 1.00 62.42 H new ATOM 1185 N LEU A 76 5.400 -2.521 -8.784 1.00 2.23 N ATOM 1186 CA LEU A 76 4.771 -1.525 -9.642 1.00 11.14 C ATOM 1187 C LEU A 76 5.061 -0.092 -9.177 1.00 2.02 C ATOM 1188 O LEU A 76 5.184 0.822 -9.995 1.00 42.41 O ATOM 1189 CB LEU A 76 3.254 -1.750 -9.705 1.00 31.42 C ATOM 1190 CG LEU A 76 2.787 -3.006 -10.461 1.00 1.55 C ATOM 1191 CD1 LEU A 76 3.028 -4.273 -9.652 1.00 0.54 C ATOM 1192 CD2 LEU A 76 1.315 -2.886 -10.816 1.00 35.32 C ATOM 0 H LEU A 76 4.813 -2.853 -8.019 1.00 2.23 H new ATOM 0 HA LEU A 76 5.201 -1.647 -10.636 1.00 11.14 H new ATOM 0 HB2 LEU A 76 2.872 -1.801 -8.685 1.00 31.42 H new ATOM 0 HB3 LEU A 76 2.797 -0.878 -10.173 1.00 31.42 H new ATOM 0 HG LEU A 76 3.375 -3.079 -11.376 1.00 1.55 H new ATOM 0 HD11 LEU A 76 2.685 -5.138 -10.220 1.00 0.54 H new ATOM 0 HD12 LEU A 76 4.093 -4.375 -9.444 1.00 0.54 H new ATOM 0 HD13 LEU A 76 2.479 -4.215 -8.712 1.00 0.54 H new ATOM 0 HD21 LEU A 76 0.996 -3.781 -11.351 1.00 35.32 H new ATOM 0 HD22 LEU A 76 0.728 -2.780 -9.904 1.00 35.32 H new ATOM 0 HD23 LEU A 76 1.163 -2.012 -11.449 1.00 35.32 H new ATOM 1204 N LEU A 77 5.183 0.092 -7.871 1.00 11.40 N ATOM 1205 CA LEU A 77 5.276 1.429 -7.277 1.00 63.41 C ATOM 1206 C LEU A 77 6.663 2.052 -7.463 1.00 41.35 C ATOM 1207 O LEU A 77 6.780 3.253 -7.703 1.00 34.41 O ATOM 1208 CB LEU A 77 4.904 1.337 -5.788 1.00 73.01 C ATOM 1209 CG LEU A 77 4.839 2.637 -4.993 1.00 70.13 C ATOM 1210 CD1 LEU A 77 3.887 2.461 -3.824 1.00 44.12 C ATOM 1211 CD2 LEU A 77 6.215 3.019 -4.472 1.00 13.13 C ATOM 0 H LEU A 77 5.221 -0.670 -7.193 1.00 11.40 H new ATOM 0 HA LEU A 77 4.577 2.088 -7.792 1.00 63.41 H new ATOM 0 HB2 LEU A 77 3.932 0.850 -5.714 1.00 73.01 H new ATOM 0 HB3 LEU A 77 5.627 0.682 -5.301 1.00 73.01 H new ATOM 0 HG LEU A 77 4.484 3.432 -5.649 1.00 70.13 H new ATOM 0 HD11 LEU A 77 3.837 3.388 -3.253 1.00 44.12 H new ATOM 0 HD12 LEU A 77 2.894 2.211 -4.198 1.00 44.12 H new ATOM 0 HD13 LEU A 77 4.245 1.657 -3.181 1.00 44.12 H new ATOM 0 HD21 LEU A 77 6.145 3.949 -3.908 1.00 13.13 H new ATOM 0 HD22 LEU A 77 6.591 2.228 -3.823 1.00 13.13 H new ATOM 0 HD23 LEU A 77 6.897 3.154 -5.311 1.00 13.13 H new ATOM 1223 N ARG A 78 7.708 1.233 -7.394 1.00 50.23 N ATOM 1224 CA ARG A 78 9.086 1.744 -7.342 1.00 53.25 C ATOM 1225 C ARG A 78 9.577 2.268 -8.699 1.00 71.41 C ATOM 1226 O ARG A 78 10.777 2.449 -8.901 1.00 23.43 O ATOM 1227 CB ARG A 78 10.031 0.646 -6.839 1.00 63.41 C ATOM 1228 CG ARG A 78 10.304 -0.447 -7.863 1.00 13.32 C ATOM 1229 CD ARG A 78 10.973 -1.644 -7.212 1.00 21.24 C ATOM 1230 NE ARG A 78 11.362 -2.664 -8.179 1.00 12.53 N ATOM 1231 CZ ARG A 78 12.625 -2.956 -8.482 1.00 2.53 C ATOM 1232 NH1 ARG A 78 13.622 -2.258 -7.951 1.00 65.24 N ATOM 1233 NH2 ARG A 78 12.889 -3.945 -9.319 1.00 63.31 N ATOM 0 H ARG A 78 7.634 0.216 -7.373 1.00 50.23 H new ATOM 0 HA ARG A 78 9.087 2.587 -6.652 1.00 53.25 H new ATOM 0 HB2 ARG A 78 10.977 1.101 -6.546 1.00 63.41 H new ATOM 0 HB3 ARG A 78 9.604 0.194 -5.944 1.00 63.41 H new ATOM 0 HG2 ARG A 78 9.368 -0.757 -8.328 1.00 13.32 H new ATOM 0 HG3 ARG A 78 10.941 -0.056 -8.657 1.00 13.32 H new ATOM 0 HD2 ARG A 78 11.856 -1.310 -6.667 1.00 21.24 H new ATOM 0 HD3 ARG A 78 10.294 -2.082 -6.481 1.00 21.24 H new ATOM 0 HE ARG A 78 10.623 -3.184 -8.651 1.00 12.53 H new ATOM 0 HH11 ARG A 78 13.422 -1.493 -7.307 1.00 65.24 H new ATOM 0 HH12 ARG A 78 14.587 -2.487 -8.187 1.00 65.24 H new ATOM 0 HH21 ARG A 78 12.126 -4.482 -9.731 1.00 63.31 H new ATOM 0 HH22 ARG A 78 13.856 -4.171 -9.553 1.00 63.31 H new ATOM 1247 N ARG A 79 8.660 2.525 -9.619 1.00 52.44 N ATOM 1248 CA ARG A 79 9.031 3.020 -10.939 1.00 13.44 C ATOM 1249 C ARG A 79 8.086 4.132 -11.384 1.00 42.30 C ATOM 1250 O ARG A 79 7.961 4.432 -12.572 1.00 42.34 O ATOM 1251 CB ARG A 79 9.044 1.868 -11.947 1.00 23.31 C ATOM 1252 CG ARG A 79 7.726 1.122 -12.048 1.00 34.20 C ATOM 1253 CD ARG A 79 7.924 -0.243 -12.675 1.00 11.44 C ATOM 1254 NE ARG A 79 6.661 -0.937 -12.902 1.00 3.04 N ATOM 1255 CZ ARG A 79 6.531 -2.257 -12.906 1.00 71.53 C ATOM 1256 NH1 ARG A 79 7.590 -3.037 -12.723 1.00 23.12 N ATOM 1257 NH2 ARG A 79 5.335 -2.793 -13.104 1.00 1.20 N ATOM 0 H ARG A 79 7.657 2.400 -9.479 1.00 52.44 H new ATOM 0 HA ARG A 79 10.035 3.441 -10.887 1.00 13.44 H new ATOM 0 HB2 ARG A 79 9.303 2.262 -12.930 1.00 23.31 H new ATOM 0 HB3 ARG A 79 9.828 1.164 -11.669 1.00 23.31 H new ATOM 0 HG2 ARG A 79 7.289 1.011 -11.055 1.00 34.20 H new ATOM 0 HG3 ARG A 79 7.020 1.701 -12.643 1.00 34.20 H new ATOM 0 HD2 ARG A 79 8.450 -0.132 -13.623 1.00 11.44 H new ATOM 0 HD3 ARG A 79 8.558 -0.849 -12.028 1.00 11.44 H new ATOM 0 HE ARG A 79 5.827 -0.373 -13.068 1.00 3.04 H new ATOM 0 HH11 ARG A 79 8.510 -2.622 -12.578 1.00 23.12 H new ATOM 0 HH12 ARG A 79 7.483 -4.051 -12.727 1.00 23.12 H new ATOM 0 HH21 ARG A 79 4.525 -2.191 -13.252 1.00 1.20 H new ATOM 0 HH22 ARG A 79 5.225 -3.807 -13.109 1.00 1.20 H new ATOM 1271 N GLY A 80 7.432 4.747 -10.411 1.00 3.40 N ATOM 1272 CA GLY A 80 6.555 5.865 -10.688 1.00 72.40 C ATOM 1273 C GLY A 80 6.550 6.850 -9.544 1.00 25.42 C ATOM 1274 O GLY A 80 7.194 6.613 -8.522 1.00 64.41 O ATOM 0 H GLY A 80 7.494 4.489 -9.426 1.00 3.40 H new ATOM 0 HA2 GLY A 80 6.877 6.366 -11.601 1.00 72.40 H new ATOM 0 HA3 GLY A 80 5.542 5.502 -10.863 1.00 72.40 H new ATOM 1278 N ILE A 81 5.835 7.956 -9.696 1.00 2.23 N ATOM 1279 CA ILE A 81 5.747 8.935 -8.625 1.00 10.24 C ATOM 1280 C ILE A 81 4.663 8.517 -7.626 1.00 50.45 C ATOM 1281 O ILE A 81 3.529 8.995 -7.633 1.00 44.02 O ATOM 1282 CB ILE A 81 5.519 10.373 -9.161 1.00 15.52 C ATOM 1283 CG1 ILE A 81 5.363 11.366 -8.006 1.00 14.33 C ATOM 1284 CG2 ILE A 81 4.325 10.434 -10.101 1.00 53.41 C ATOM 1285 CD1 ILE A 81 6.577 11.451 -7.104 1.00 64.53 C ATOM 0 H ILE A 81 5.314 8.195 -10.540 1.00 2.23 H new ATOM 0 HA ILE A 81 6.705 8.958 -8.106 1.00 10.24 H new ATOM 0 HB ILE A 81 6.401 10.657 -9.735 1.00 15.52 H new ATOM 0 HG12 ILE A 81 5.156 12.355 -8.415 1.00 14.33 H new ATOM 0 HG13 ILE A 81 4.497 11.081 -7.408 1.00 14.33 H new ATOM 0 HG21 ILE A 81 4.194 11.456 -10.457 1.00 53.41 H new ATOM 0 HG22 ILE A 81 4.496 9.772 -10.950 1.00 53.41 H new ATOM 0 HG23 ILE A 81 3.427 10.118 -9.570 1.00 53.41 H new ATOM 0 HD11 ILE A 81 6.391 12.174 -6.310 1.00 64.53 H new ATOM 0 HD12 ILE A 81 6.773 10.473 -6.665 1.00 64.53 H new ATOM 0 HD13 ILE A 81 7.442 11.767 -7.687 1.00 64.53 H new ATOM 1297 N VAL A 82 5.033 7.569 -6.790 1.00 61.20 N ATOM 1298 CA VAL A 82 4.121 6.985 -5.829 1.00 55.23 C ATOM 1299 C VAL A 82 4.916 6.409 -4.664 1.00 42.52 C ATOM 1300 O VAL A 82 6.078 6.035 -4.833 1.00 53.03 O ATOM 1301 CB VAL A 82 3.243 5.892 -6.503 1.00 41.41 C ATOM 1302 CG1 VAL A 82 4.093 4.957 -7.349 1.00 13.52 C ATOM 1303 CG2 VAL A 82 2.450 5.099 -5.477 1.00 4.21 C ATOM 0 H VAL A 82 5.976 7.181 -6.758 1.00 61.20 H new ATOM 0 HA VAL A 82 3.451 7.757 -5.450 1.00 55.23 H new ATOM 0 HB VAL A 82 2.534 6.404 -7.154 1.00 41.41 H new ATOM 0 HG11 VAL A 82 3.455 4.202 -7.809 1.00 13.52 H new ATOM 0 HG12 VAL A 82 4.598 5.529 -8.127 1.00 13.52 H new ATOM 0 HG13 VAL A 82 4.835 4.469 -6.718 1.00 13.52 H new ATOM 0 HG21 VAL A 82 1.849 4.345 -5.985 1.00 4.21 H new ATOM 0 HG22 VAL A 82 3.136 4.610 -4.785 1.00 4.21 H new ATOM 0 HG23 VAL A 82 1.795 5.772 -4.923 1.00 4.21 H new ATOM 1313 N PHE A 83 4.317 6.388 -3.480 1.00 3.02 N ATOM 1314 CA PHE A 83 4.983 5.844 -2.301 1.00 20.51 C ATOM 1315 C PHE A 83 4.033 4.945 -1.514 1.00 10.42 C ATOM 1316 O PHE A 83 2.842 4.872 -1.818 1.00 71.25 O ATOM 1317 CB PHE A 83 5.501 6.976 -1.408 1.00 72.11 C ATOM 1318 CG PHE A 83 6.563 7.822 -2.051 1.00 22.22 C ATOM 1319 CD1 PHE A 83 7.884 7.404 -2.070 1.00 65.12 C ATOM 1320 CD2 PHE A 83 6.238 9.032 -2.642 1.00 11.22 C ATOM 1321 CE1 PHE A 83 8.861 8.182 -2.664 1.00 4.41 C ATOM 1322 CE2 PHE A 83 7.207 9.814 -3.236 1.00 23.55 C ATOM 1323 CZ PHE A 83 8.522 9.387 -3.248 1.00 23.22 C ATOM 0 H PHE A 83 3.375 6.740 -3.310 1.00 3.02 H new ATOM 0 HA PHE A 83 5.831 5.245 -2.634 1.00 20.51 H new ATOM 0 HB2 PHE A 83 4.664 7.614 -1.125 1.00 72.11 H new ATOM 0 HB3 PHE A 83 5.899 6.547 -0.489 1.00 72.11 H new ATOM 0 HD1 PHE A 83 8.153 6.462 -1.617 1.00 65.12 H new ATOM 0 HD2 PHE A 83 5.212 9.368 -2.638 1.00 11.22 H new ATOM 0 HE1 PHE A 83 9.888 7.848 -2.671 1.00 4.41 H new ATOM 0 HE2 PHE A 83 6.939 10.757 -3.690 1.00 23.55 H new ATOM 0 HZ PHE A 83 9.283 9.995 -3.714 1.00 23.22 H new ATOM 1333 N ALA A 84 4.555 4.239 -0.524 1.00 13.35 N ATOM 1334 CA ALA A 84 3.716 3.393 0.310 1.00 74.13 C ATOM 1335 C ALA A 84 4.074 3.520 1.782 1.00 3.11 C ATOM 1336 O ALA A 84 5.246 3.453 2.163 1.00 31.43 O ATOM 1337 CB ALA A 84 3.817 1.945 -0.132 1.00 64.41 C ATOM 0 H ALA A 84 5.545 4.234 -0.280 1.00 13.35 H new ATOM 0 HA ALA A 84 2.687 3.731 0.189 1.00 74.13 H new ATOM 0 HB1 ALA A 84 3.183 1.326 0.503 1.00 64.41 H new ATOM 0 HB2 ALA A 84 3.490 1.857 -1.168 1.00 64.41 H new ATOM 0 HB3 ALA A 84 4.851 1.610 -0.049 1.00 64.41 H new ATOM 1343 N MET A 85 3.054 3.690 2.610 1.00 43.31 N ATOM 1344 CA MET A 85 3.249 3.842 4.041 1.00 50.41 C ATOM 1345 C MET A 85 2.214 3.048 4.825 1.00 33.13 C ATOM 1346 O MET A 85 1.005 3.231 4.661 1.00 23.00 O ATOM 1347 CB MET A 85 3.195 5.313 4.450 1.00 10.40 C ATOM 1348 CG MET A 85 1.953 6.034 3.960 1.00 31.04 C ATOM 1349 SD MET A 85 1.267 7.147 5.198 1.00 1.54 S ATOM 1350 CE MET A 85 0.595 5.964 6.365 1.00 50.30 C ATOM 0 H MET A 85 2.079 3.726 2.312 1.00 43.31 H new ATOM 0 HA MET A 85 4.238 3.450 4.277 1.00 50.41 H new ATOM 0 HB2 MET A 85 3.240 5.381 5.537 1.00 10.40 H new ATOM 0 HB3 MET A 85 4.077 5.822 4.062 1.00 10.40 H new ATOM 0 HG2 MET A 85 2.197 6.601 3.062 1.00 31.04 H new ATOM 0 HG3 MET A 85 1.198 5.300 3.678 1.00 31.04 H new ATOM 0 HE1 MET A 85 -0.477 6.130 6.475 1.00 50.30 H new ATOM 0 HE2 MET A 85 0.770 4.952 5.999 1.00 50.30 H new ATOM 0 HE3 MET A 85 1.083 6.089 7.332 1.00 50.30 H new ATOM 1360 N ALA A 86 2.690 2.170 5.680 1.00 11.51 N ATOM 1361 CA ALA A 86 1.811 1.389 6.529 1.00 54.12 C ATOM 1362 C ALA A 86 1.912 1.869 7.974 1.00 3.31 C ATOM 1363 O ALA A 86 2.269 3.025 8.225 1.00 71.35 O ATOM 1364 CB ALA A 86 2.148 -0.093 6.419 1.00 13.30 C ATOM 0 H ALA A 86 3.683 1.977 5.808 1.00 11.51 H new ATOM 0 HA ALA A 86 0.782 1.527 6.196 1.00 54.12 H new ATOM 0 HB1 ALA A 86 1.480 -0.667 7.062 1.00 13.30 H new ATOM 0 HB2 ALA A 86 2.026 -0.418 5.386 1.00 13.30 H new ATOM 0 HB3 ALA A 86 3.180 -0.256 6.731 1.00 13.30 H new ATOM 1370 N ARG A 87 1.565 1.001 8.917 1.00 63.15 N ATOM 1371 CA ARG A 87 1.763 1.286 10.332 1.00 44.31 C ATOM 1372 C ARG A 87 2.612 0.173 10.932 1.00 21.13 C ATOM 1373 O ARG A 87 2.514 -0.983 10.510 1.00 3.31 O ATOM 1374 CB ARG A 87 0.421 1.411 11.075 1.00 61.05 C ATOM 1375 CG ARG A 87 -0.192 0.079 11.491 1.00 4.13 C ATOM 1376 CD ARG A 87 -1.612 0.230 12.024 1.00 61.20 C ATOM 1377 NE ARG A 87 -1.722 1.221 13.092 1.00 3.41 N ATOM 1378 CZ ARG A 87 -2.624 1.157 14.074 1.00 52.11 C ATOM 1379 NH1 ARG A 87 -3.412 0.095 14.191 1.00 24.13 N ATOM 1380 NH2 ARG A 87 -2.730 2.147 14.947 1.00 40.44 N ATOM 0 H ARG A 87 1.144 0.092 8.726 1.00 63.15 H new ATOM 0 HA ARG A 87 2.273 2.243 10.439 1.00 44.31 H new ATOM 0 HB2 ARG A 87 0.567 2.024 11.964 1.00 61.05 H new ATOM 0 HB3 ARG A 87 -0.287 1.940 10.436 1.00 61.05 H new ATOM 0 HG2 ARG A 87 -0.198 -0.597 10.636 1.00 4.13 H new ATOM 0 HG3 ARG A 87 0.433 -0.381 12.256 1.00 4.13 H new ATOM 0 HD2 ARG A 87 -2.273 0.513 11.205 1.00 61.20 H new ATOM 0 HD3 ARG A 87 -1.959 -0.735 12.395 1.00 61.20 H new ATOM 0 HE ARG A 87 -1.072 2.007 13.087 1.00 3.41 H new ATOM 0 HH11 ARG A 87 -3.330 -0.677 13.529 1.00 24.13 H new ATOM 0 HH12 ARG A 87 -4.100 0.051 14.943 1.00 24.13 H new ATOM 0 HH21 ARG A 87 -2.121 2.962 14.870 1.00 40.44 H new ATOM 0 HH22 ARG A 87 -3.420 2.095 15.696 1.00 40.44 H new ATOM 1394 N VAL A 88 3.455 0.511 11.887 1.00 54.52 N ATOM 1395 CA VAL A 88 4.374 -0.463 12.451 1.00 20.21 C ATOM 1396 C VAL A 88 3.703 -1.345 13.491 1.00 11.10 C ATOM 1397 O VAL A 88 3.497 -0.951 14.639 1.00 64.12 O ATOM 1398 CB VAL A 88 5.632 0.193 13.043 1.00 21.02 C ATOM 1399 CG1 VAL A 88 6.617 0.509 11.935 1.00 14.24 C ATOM 1400 CG2 VAL A 88 5.285 1.456 13.814 1.00 11.23 C ATOM 0 H VAL A 88 3.525 1.446 12.288 1.00 54.52 H new ATOM 0 HA VAL A 88 4.686 -1.094 11.619 1.00 20.21 H new ATOM 0 HB VAL A 88 6.087 -0.510 13.741 1.00 21.02 H new ATOM 0 HG11 VAL A 88 7.506 0.974 12.360 1.00 14.24 H new ATOM 0 HG12 VAL A 88 6.898 -0.412 11.424 1.00 14.24 H new ATOM 0 HG13 VAL A 88 6.156 1.193 11.222 1.00 14.24 H new ATOM 0 HG21 VAL A 88 6.196 1.896 14.220 1.00 11.23 H new ATOM 0 HG22 VAL A 88 4.804 2.170 13.145 1.00 11.23 H new ATOM 0 HG23 VAL A 88 4.606 1.209 14.630 1.00 11.23 H new ATOM 1410 N LYS A 89 3.344 -2.539 13.053 1.00 44.10 N ATOM 1411 CA LYS A 89 2.749 -3.549 13.911 1.00 22.21 C ATOM 1412 C LYS A 89 3.471 -4.877 13.691 1.00 62.51 C ATOM 1413 O LYS A 89 4.540 -5.108 14.249 1.00 12.11 O ATOM 1414 CB LYS A 89 1.247 -3.664 13.614 1.00 32.34 C ATOM 1415 CG LYS A 89 0.913 -3.510 12.133 1.00 61.24 C ATOM 1416 CD LYS A 89 -0.584 -3.495 11.885 1.00 21.52 C ATOM 1417 CE LYS A 89 -0.910 -3.200 10.426 1.00 31.05 C ATOM 1418 NZ LYS A 89 -0.565 -4.332 9.523 1.00 54.22 N ATOM 0 H LYS A 89 3.458 -2.837 12.084 1.00 44.10 H new ATOM 0 HA LYS A 89 2.857 -3.268 14.959 1.00 22.21 H new ATOM 0 HB2 LYS A 89 0.888 -4.632 13.962 1.00 32.34 H new ATOM 0 HB3 LYS A 89 0.712 -2.903 14.182 1.00 32.34 H new ATOM 0 HG2 LYS A 89 1.352 -2.586 11.757 1.00 61.24 H new ATOM 0 HG3 LYS A 89 1.365 -4.329 11.573 1.00 61.24 H new ATOM 0 HD2 LYS A 89 -1.009 -4.459 12.165 1.00 21.52 H new ATOM 0 HD3 LYS A 89 -1.051 -2.743 12.522 1.00 21.52 H new ATOM 0 HE2 LYS A 89 -1.973 -2.977 10.333 1.00 31.05 H new ATOM 0 HE3 LYS A 89 -0.368 -2.309 10.109 1.00 31.05 H new ATOM 0 HZ1 LYS A 89 0.193 -4.040 8.874 1.00 54.22 H new ATOM 0 HZ2 LYS A 89 -0.243 -5.142 10.090 1.00 54.22 H new ATOM 0 HZ3 LYS A 89 -1.404 -4.606 8.974 1.00 54.22 H new ATOM 1432 N GLN A 90 2.907 -5.732 12.850 1.00 71.21 N ATOM 1433 CA GLN A 90 3.612 -6.915 12.377 1.00 41.21 C ATOM 1434 C GLN A 90 4.194 -6.591 11.005 1.00 20.15 C ATOM 1435 O GLN A 90 5.013 -7.326 10.455 1.00 75.40 O ATOM 1436 CB GLN A 90 2.648 -8.120 12.307 1.00 75.45 C ATOM 1437 CG GLN A 90 2.024 -8.382 10.934 1.00 61.21 C ATOM 1438 CD GLN A 90 1.268 -7.197 10.353 1.00 11.40 C ATOM 1439 OE1 GLN A 90 0.670 -6.397 11.077 1.00 44.33 O ATOM 1440 NE2 GLN A 90 1.328 -7.059 9.041 1.00 34.30 N ATOM 0 H GLN A 90 1.962 -5.628 12.481 1.00 71.21 H new ATOM 0 HA GLN A 90 4.415 -7.186 13.062 1.00 41.21 H new ATOM 0 HB2 GLN A 90 3.188 -9.014 12.619 1.00 75.45 H new ATOM 0 HB3 GLN A 90 1.846 -7.964 13.028 1.00 75.45 H new ATOM 0 HG2 GLN A 90 2.812 -8.671 10.239 1.00 61.21 H new ATOM 0 HG3 GLN A 90 1.343 -9.229 11.013 1.00 61.21 H new ATOM 0 HE21 GLN A 90 1.833 -7.744 8.479 1.00 34.30 H new ATOM 0 HE22 GLN A 90 0.869 -6.268 8.590 1.00 34.30 H new ATOM 1449 N ASP A 91 3.761 -5.437 10.501 1.00 42.12 N ATOM 1450 CA ASP A 91 4.012 -5.012 9.129 1.00 74.14 C ATOM 1451 C ASP A 91 5.498 -4.888 8.844 1.00 23.10 C ATOM 1452 O ASP A 91 6.010 -5.525 7.933 1.00 10.23 O ATOM 1453 CB ASP A 91 3.323 -3.672 8.866 1.00 32.45 C ATOM 1454 CG ASP A 91 2.541 -3.654 7.569 1.00 4.12 C ATOM 1455 OD1 ASP A 91 3.162 -3.534 6.494 1.00 64.21 O ATOM 1456 OD2 ASP A 91 1.290 -3.745 7.633 1.00 53.20 O ATOM 0 H ASP A 91 3.219 -4.764 11.043 1.00 42.12 H new ATOM 0 HA ASP A 91 3.605 -5.774 8.464 1.00 74.14 H new ATOM 0 HB2 ASP A 91 2.650 -3.447 9.693 1.00 32.45 H new ATOM 0 HB3 ASP A 91 4.074 -2.882 8.842 1.00 32.45 H new ATOM 1461 N LEU A 92 6.194 -4.076 9.639 1.00 10.21 N ATOM 1462 CA LEU A 92 7.617 -3.829 9.418 1.00 25.12 C ATOM 1463 C LEU A 92 8.415 -5.131 9.463 1.00 62.31 C ATOM 1464 O LEU A 92 9.387 -5.297 8.729 1.00 4.40 O ATOM 1465 CB LEU A 92 8.180 -2.758 10.400 1.00 34.41 C ATOM 1466 CG LEU A 92 8.249 -3.076 11.917 1.00 34.00 C ATOM 1467 CD1 LEU A 92 6.939 -3.628 12.458 1.00 31.30 C ATOM 1468 CD2 LEU A 92 9.410 -4.008 12.236 1.00 23.21 C ATOM 0 H LEU A 92 5.798 -3.581 10.438 1.00 10.21 H new ATOM 0 HA LEU A 92 7.729 -3.416 8.415 1.00 25.12 H new ATOM 0 HB2 LEU A 92 9.190 -2.512 10.071 1.00 34.41 H new ATOM 0 HB3 LEU A 92 7.578 -1.857 10.282 1.00 34.41 H new ATOM 0 HG LEU A 92 8.425 -2.128 12.425 1.00 34.00 H new ATOM 0 HD11 LEU A 92 7.043 -3.833 13.523 1.00 31.30 H new ATOM 0 HD12 LEU A 92 6.145 -2.897 12.305 1.00 31.30 H new ATOM 0 HD13 LEU A 92 6.689 -4.550 11.934 1.00 31.30 H new ATOM 0 HD21 LEU A 92 9.430 -4.211 13.307 1.00 23.21 H new ATOM 0 HD22 LEU A 92 9.285 -4.944 11.692 1.00 23.21 H new ATOM 0 HD23 LEU A 92 10.347 -3.537 11.938 1.00 23.21 H new ATOM 1480 N ARG A 93 7.969 -6.072 10.285 1.00 50.54 N ATOM 1481 CA ARG A 93 8.639 -7.357 10.403 1.00 62.14 C ATOM 1482 C ARG A 93 8.608 -8.083 9.068 1.00 54.32 C ATOM 1483 O ARG A 93 9.645 -8.288 8.428 1.00 71.21 O ATOM 1484 CB ARG A 93 7.965 -8.221 11.472 1.00 13.22 C ATOM 1485 CG ARG A 93 8.012 -7.627 12.869 1.00 12.34 C ATOM 1486 CD ARG A 93 9.436 -7.520 13.380 1.00 74.31 C ATOM 1487 NE ARG A 93 9.491 -7.059 14.766 1.00 13.44 N ATOM 1488 CZ ARG A 93 10.617 -6.951 15.468 1.00 11.23 C ATOM 1489 NH1 ARG A 93 11.788 -7.196 14.891 1.00 4.21 N ATOM 1490 NH2 ARG A 93 10.574 -6.583 16.740 1.00 74.03 N ATOM 0 H ARG A 93 7.146 -5.968 10.879 1.00 50.54 H new ATOM 0 HA ARG A 93 9.674 -7.179 10.696 1.00 62.14 H new ATOM 0 HB2 ARG A 93 6.924 -8.381 11.192 1.00 13.22 H new ATOM 0 HB3 ARG A 93 8.445 -9.200 11.489 1.00 13.22 H new ATOM 0 HG2 ARG A 93 7.552 -6.639 12.861 1.00 12.34 H new ATOM 0 HG3 ARG A 93 7.426 -8.246 13.549 1.00 12.34 H new ATOM 0 HD2 ARG A 93 9.922 -8.492 13.303 1.00 74.31 H new ATOM 0 HD3 ARG A 93 9.997 -6.832 12.747 1.00 74.31 H new ATOM 0 HE ARG A 93 8.615 -6.805 15.222 1.00 13.44 H new ATOM 0 HH11 ARG A 93 11.826 -7.467 13.908 1.00 4.21 H new ATOM 0 HH12 ARG A 93 12.650 -7.113 15.430 1.00 4.21 H new ATOM 0 HH21 ARG A 93 9.677 -6.382 17.183 1.00 74.03 H new ATOM 0 HH22 ARG A 93 11.438 -6.501 17.277 1.00 74.03 H new ATOM 1504 N GLU A 94 7.411 -8.429 8.634 1.00 73.32 N ATOM 1505 CA GLU A 94 7.248 -9.217 7.433 1.00 24.32 C ATOM 1506 C GLU A 94 7.597 -8.411 6.181 1.00 44.35 C ATOM 1507 O GLU A 94 8.430 -8.839 5.379 1.00 1.21 O ATOM 1508 CB GLU A 94 5.825 -9.781 7.351 1.00 62.00 C ATOM 1509 CG GLU A 94 4.720 -8.735 7.375 1.00 71.42 C ATOM 1510 CD GLU A 94 3.348 -9.349 7.184 1.00 72.30 C ATOM 1511 OE1 GLU A 94 2.932 -9.534 6.024 1.00 72.24 O ATOM 1512 OE2 GLU A 94 2.692 -9.664 8.197 1.00 43.35 O ATOM 0 H GLU A 94 6.538 -8.175 9.097 1.00 73.32 H new ATOM 0 HA GLU A 94 7.945 -10.053 7.482 1.00 24.32 H new ATOM 0 HB2 GLU A 94 5.733 -10.365 6.435 1.00 62.00 H new ATOM 0 HB3 GLU A 94 5.673 -10.468 8.183 1.00 62.00 H new ATOM 0 HG2 GLU A 94 4.748 -8.201 8.325 1.00 71.42 H new ATOM 0 HG3 GLU A 94 4.900 -8.000 6.590 1.00 71.42 H new ATOM 1519 N SER A 95 6.984 -7.237 6.035 1.00 41.25 N ATOM 1520 CA SER A 95 7.135 -6.424 4.830 1.00 12.54 C ATOM 1521 C SER A 95 8.598 -6.125 4.532 1.00 74.12 C ATOM 1522 O SER A 95 9.023 -6.137 3.374 1.00 4.10 O ATOM 1523 CB SER A 95 6.349 -5.119 4.966 1.00 34.21 C ATOM 1524 OG SER A 95 4.961 -5.370 5.109 1.00 34.13 O ATOM 0 H SER A 95 6.374 -6.826 6.742 1.00 41.25 H new ATOM 0 HA SER A 95 6.735 -6.998 3.994 1.00 12.54 H new ATOM 0 HB2 SER A 95 6.711 -4.561 5.830 1.00 34.21 H new ATOM 0 HB3 SER A 95 6.520 -4.495 4.089 1.00 34.21 H new ATOM 0 HG SER A 95 4.548 -4.642 5.618 1.00 34.13 H new ATOM 1530 N LEU A 96 9.377 -5.870 5.569 1.00 42.23 N ATOM 1531 CA LEU A 96 10.781 -5.569 5.375 1.00 44.02 C ATOM 1532 C LEU A 96 11.593 -6.832 5.111 1.00 24.15 C ATOM 1533 O LEU A 96 12.589 -6.786 4.395 1.00 52.32 O ATOM 1534 CB LEU A 96 11.335 -4.820 6.575 1.00 64.32 C ATOM 1535 CG LEU A 96 11.136 -3.297 6.549 1.00 12.12 C ATOM 1536 CD1 LEU A 96 11.751 -2.701 5.291 1.00 1.34 C ATOM 1537 CD2 LEU A 96 9.659 -2.929 6.634 1.00 31.25 C ATOM 0 H LEU A 96 9.065 -5.865 6.540 1.00 42.23 H new ATOM 0 HA LEU A 96 10.865 -4.932 4.495 1.00 44.02 H new ATOM 0 HB2 LEU A 96 10.867 -5.215 7.477 1.00 64.32 H new ATOM 0 HB3 LEU A 96 12.402 -5.029 6.652 1.00 64.32 H new ATOM 0 HG LEU A 96 11.640 -2.882 7.422 1.00 12.12 H new ATOM 0 HD11 LEU A 96 11.601 -1.621 5.289 1.00 1.34 H new ATOM 0 HD12 LEU A 96 12.819 -2.919 5.270 1.00 1.34 H new ATOM 0 HD13 LEU A 96 11.274 -3.135 4.412 1.00 1.34 H new ATOM 0 HD21 LEU A 96 9.552 -1.844 6.613 1.00 31.25 H new ATOM 0 HD22 LEU A 96 9.127 -3.362 5.787 1.00 31.25 H new ATOM 0 HD23 LEU A 96 9.240 -3.317 7.563 1.00 31.25 H new ATOM 1549 N ARG A 97 11.162 -7.957 5.674 1.00 64.42 N ATOM 1550 CA ARG A 97 11.843 -9.231 5.446 1.00 45.33 C ATOM 1551 C ARG A 97 11.596 -9.764 4.037 1.00 63.41 C ATOM 1552 O ARG A 97 12.313 -10.650 3.571 1.00 21.35 O ATOM 1553 CB ARG A 97 11.405 -10.269 6.481 1.00 25.21 C ATOM 1554 CG ARG A 97 12.287 -10.288 7.714 1.00 74.21 C ATOM 1555 CD ARG A 97 13.717 -10.653 7.352 1.00 61.41 C ATOM 1556 NE ARG A 97 14.593 -10.691 8.519 1.00 33.13 N ATOM 1557 CZ ARG A 97 15.899 -10.432 8.473 1.00 62.05 C ATOM 1558 NH1 ARG A 97 16.475 -10.106 7.322 1.00 30.33 N ATOM 1559 NH2 ARG A 97 16.629 -10.505 9.577 1.00 61.14 N ATOM 0 H ARG A 97 10.350 -8.015 6.288 1.00 64.42 H new ATOM 0 HA ARG A 97 12.912 -9.048 5.552 1.00 45.33 H new ATOM 0 HB2 ARG A 97 10.377 -10.064 6.780 1.00 25.21 H new ATOM 0 HB3 ARG A 97 11.412 -11.257 6.021 1.00 25.21 H new ATOM 0 HG2 ARG A 97 12.268 -9.310 8.195 1.00 74.21 H new ATOM 0 HG3 ARG A 97 11.896 -11.006 8.435 1.00 74.21 H new ATOM 0 HD2 ARG A 97 13.728 -11.626 6.861 1.00 61.41 H new ATOM 0 HD3 ARG A 97 14.103 -9.929 6.634 1.00 61.41 H new ATOM 0 HE ARG A 97 14.182 -10.930 9.421 1.00 33.13 H new ATOM 0 HH11 ARG A 97 15.917 -10.053 6.470 1.00 30.33 H new ATOM 0 HH12 ARG A 97 17.475 -9.908 7.290 1.00 30.33 H new ATOM 0 HH21 ARG A 97 16.191 -10.760 10.462 1.00 61.14 H new ATOM 0 HH22 ARG A 97 17.629 -10.307 9.541 1.00 61.14 H new ATOM 1573 N ALA A 98 10.578 -9.234 3.369 1.00 61.51 N ATOM 1574 CA ALA A 98 10.261 -9.651 2.009 1.00 50.21 C ATOM 1575 C ALA A 98 11.268 -9.103 1.007 1.00 0.24 C ATOM 1576 O ALA A 98 12.140 -9.826 0.523 1.00 24.33 O ATOM 1577 CB ALA A 98 8.863 -9.199 1.623 1.00 1.53 C ATOM 0 H ALA A 98 9.959 -8.516 3.746 1.00 61.51 H new ATOM 0 HA ALA A 98 10.309 -10.740 1.985 1.00 50.21 H new ATOM 0 HB1 ALA A 98 8.645 -9.520 0.604 1.00 1.53 H new ATOM 0 HB2 ALA A 98 8.137 -9.640 2.306 1.00 1.53 H new ATOM 0 HB3 ALA A 98 8.803 -8.112 1.682 1.00 1.53 H new ATOM 1583 N ALA A 99 11.141 -7.822 0.702 1.00 71.12 N ATOM 1584 CA ALA A 99 11.971 -7.200 -0.311 1.00 33.21 C ATOM 1585 C ALA A 99 13.343 -6.815 0.238 1.00 1.44 C ATOM 1586 O ALA A 99 14.364 -7.150 -0.362 1.00 72.23 O ATOM 1587 CB ALA A 99 11.271 -5.984 -0.885 1.00 32.33 C ATOM 0 H ALA A 99 10.470 -7.194 1.143 1.00 71.12 H new ATOM 0 HA ALA A 99 12.130 -7.930 -1.105 1.00 33.21 H new ATOM 0 HB1 ALA A 99 11.904 -5.525 -1.645 1.00 32.33 H new ATOM 0 HB2 ALA A 99 10.325 -6.287 -1.335 1.00 32.33 H new ATOM 0 HB3 ALA A 99 11.080 -5.265 -0.089 1.00 32.33 H new ATOM 1593 N SER A 100 13.359 -6.095 1.364 1.00 20.42 N ATOM 1594 CA SER A 100 14.606 -5.647 2.002 1.00 71.31 C ATOM 1595 C SER A 100 15.417 -4.735 1.076 1.00 40.43 C ATOM 1596 O SER A 100 16.600 -4.501 1.303 1.00 61.12 O ATOM 1597 CB SER A 100 15.461 -6.853 2.416 1.00 65.45 C ATOM 1598 OG SER A 100 14.721 -7.754 3.227 1.00 53.43 O ATOM 0 H SER A 100 12.515 -5.806 1.858 1.00 20.42 H new ATOM 0 HA SER A 100 14.331 -5.076 2.889 1.00 71.31 H new ATOM 0 HB2 SER A 100 15.819 -7.371 1.526 1.00 65.45 H new ATOM 0 HB3 SER A 100 16.341 -6.509 2.960 1.00 65.45 H new ATOM 0 HG SER A 100 14.007 -7.267 3.689 1.00 53.43 H new ATOM 1604 N LEU A 101 14.761 -4.176 0.063 1.00 55.04 N ATOM 1605 CA LEU A 101 15.458 -3.422 -0.979 1.00 72.21 C ATOM 1606 C LEU A 101 15.625 -1.948 -0.598 1.00 54.01 C ATOM 1607 O LEU A 101 15.790 -1.089 -1.467 1.00 51.34 O ATOM 1608 CB LEU A 101 14.716 -3.548 -2.320 1.00 14.52 C ATOM 1609 CG LEU A 101 13.499 -2.628 -2.531 1.00 75.11 C ATOM 1610 CD1 LEU A 101 12.923 -2.829 -3.924 1.00 52.01 C ATOM 1611 CD2 LEU A 101 12.426 -2.862 -1.477 1.00 42.11 C ATOM 0 H LEU A 101 13.750 -4.230 -0.060 1.00 55.04 H new ATOM 0 HA LEU A 101 16.455 -3.850 -1.083 1.00 72.21 H new ATOM 0 HB2 LEU A 101 15.429 -3.357 -3.122 1.00 14.52 H new ATOM 0 HB3 LEU A 101 14.384 -4.580 -2.428 1.00 14.52 H new ATOM 0 HG LEU A 101 13.841 -1.598 -2.430 1.00 75.11 H new ATOM 0 HD11 LEU A 101 12.063 -2.173 -4.060 1.00 52.01 H new ATOM 0 HD12 LEU A 101 13.682 -2.592 -4.669 1.00 52.01 H new ATOM 0 HD13 LEU A 101 12.610 -3.866 -4.042 1.00 52.01 H new ATOM 0 HD21 LEU A 101 11.584 -2.194 -1.660 1.00 42.11 H new ATOM 0 HD22 LEU A 101 12.086 -3.896 -1.527 1.00 42.11 H new ATOM 0 HD23 LEU A 101 12.838 -2.663 -0.488 1.00 42.11 H new ATOM 1623 N LEU A 102 15.628 -1.663 0.702 1.00 12.22 N ATOM 1624 CA LEU A 102 15.744 -0.286 1.189 1.00 0.32 C ATOM 1625 C LEU A 102 17.066 0.332 0.760 1.00 55.12 C ATOM 1626 O LEU A 102 17.219 1.550 0.735 1.00 61.55 O ATOM 1627 CB LEU A 102 15.636 -0.233 2.712 1.00 10.23 C ATOM 1628 CG LEU A 102 14.340 -0.773 3.301 1.00 42.03 C ATOM 1629 CD1 LEU A 102 14.334 -0.578 4.809 1.00 22.13 C ATOM 1630 CD2 LEU A 102 13.133 -0.094 2.669 1.00 2.33 C ATOM 0 H LEU A 102 15.552 -2.365 1.438 1.00 12.22 H new ATOM 0 HA LEU A 102 14.923 0.283 0.753 1.00 0.32 H new ATOM 0 HB2 LEU A 102 16.468 -0.794 3.137 1.00 10.23 H new ATOM 0 HB3 LEU A 102 15.755 0.803 3.030 1.00 10.23 H new ATOM 0 HG LEU A 102 14.278 -1.839 3.083 1.00 42.03 H new ATOM 0 HD11 LEU A 102 13.403 -0.967 5.222 1.00 22.13 H new ATOM 0 HD12 LEU A 102 15.177 -1.111 5.248 1.00 22.13 H new ATOM 0 HD13 LEU A 102 14.417 0.484 5.039 1.00 22.13 H new ATOM 0 HD21 LEU A 102 12.219 -0.496 3.106 1.00 2.33 H new ATOM 0 HD22 LEU A 102 13.181 0.979 2.853 1.00 2.33 H new ATOM 0 HD23 LEU A 102 13.133 -0.278 1.595 1.00 2.33 H new ATOM 1642 N ASP A 103 18.016 -0.527 0.434 1.00 72.50 N ATOM 1643 CA ASP A 103 19.323 -0.104 -0.041 1.00 43.31 C ATOM 1644 C ASP A 103 19.199 0.771 -1.284 1.00 53.22 C ATOM 1645 O ASP A 103 19.893 1.781 -1.419 1.00 62.33 O ATOM 1646 CB ASP A 103 20.174 -1.329 -0.377 1.00 71.30 C ATOM 1647 CG ASP A 103 20.282 -2.301 0.777 1.00 71.42 C ATOM 1648 OD1 ASP A 103 19.322 -3.066 1.006 1.00 4.21 O ATOM 1649 OD2 ASP A 103 21.326 -2.309 1.457 1.00 74.21 O ATOM 0 H ASP A 103 17.903 -1.539 0.491 1.00 72.50 H new ATOM 0 HA ASP A 103 19.797 0.476 0.751 1.00 43.31 H new ATOM 0 HB2 ASP A 103 19.743 -1.840 -1.238 1.00 71.30 H new ATOM 0 HB3 ASP A 103 21.173 -1.003 -0.667 1.00 71.30 H new ATOM 1654 N LYS A 104 18.298 0.388 -2.179 1.00 21.21 N ATOM 1655 CA LYS A 104 18.200 1.028 -3.484 1.00 51.33 C ATOM 1656 C LYS A 104 17.027 2.007 -3.563 1.00 44.20 C ATOM 1657 O LYS A 104 17.176 3.103 -4.096 1.00 44.15 O ATOM 1658 CB LYS A 104 18.109 -0.041 -4.580 1.00 32.22 C ATOM 1659 CG LYS A 104 16.961 -1.021 -4.397 1.00 3.41 C ATOM 1660 CD LYS A 104 17.326 -2.417 -4.883 1.00 44.01 C ATOM 1661 CE LYS A 104 18.435 -3.023 -4.034 1.00 70.15 C ATOM 1662 NZ LYS A 104 18.720 -4.434 -4.400 1.00 35.51 N ATOM 0 H LYS A 104 17.625 -0.363 -2.025 1.00 21.21 H new ATOM 0 HA LYS A 104 19.103 1.619 -3.638 1.00 51.33 H new ATOM 0 HB2 LYS A 104 18.001 0.452 -5.546 1.00 32.22 H new ATOM 0 HB3 LYS A 104 19.046 -0.597 -4.609 1.00 32.22 H new ATOM 0 HG2 LYS A 104 16.684 -1.064 -3.344 1.00 3.41 H new ATOM 0 HG3 LYS A 104 16.087 -0.663 -4.942 1.00 3.41 H new ATOM 0 HD2 LYS A 104 16.446 -3.059 -4.848 1.00 44.01 H new ATOM 0 HD3 LYS A 104 17.646 -2.371 -5.924 1.00 44.01 H new ATOM 0 HE2 LYS A 104 19.342 -2.430 -4.149 1.00 70.15 H new ATOM 0 HE3 LYS A 104 18.153 -2.973 -2.982 1.00 70.15 H new ATOM 0 HZ1 LYS A 104 19.481 -4.803 -3.795 1.00 35.51 H new ATOM 0 HZ2 LYS A 104 17.863 -5.007 -4.266 1.00 35.51 H new ATOM 0 HZ3 LYS A 104 19.016 -4.481 -5.396 1.00 35.51 H new ATOM 1676 N ILE A 105 15.868 1.633 -3.029 1.00 40.33 N ATOM 1677 CA ILE A 105 14.704 2.520 -3.078 1.00 63.15 C ATOM 1678 C ILE A 105 14.748 3.542 -1.945 1.00 11.00 C ATOM 1679 O ILE A 105 14.197 4.637 -2.060 1.00 64.35 O ATOM 1680 CB ILE A 105 13.363 1.740 -3.068 1.00 21.01 C ATOM 1681 CG1 ILE A 105 13.277 0.753 -1.895 1.00 13.45 C ATOM 1682 CG2 ILE A 105 13.174 1.007 -4.388 1.00 54.20 C ATOM 1683 CD1 ILE A 105 12.791 1.363 -0.599 1.00 65.00 C ATOM 0 H ILE A 105 15.708 0.739 -2.565 1.00 40.33 H new ATOM 0 HA ILE A 105 14.753 3.053 -4.028 1.00 63.15 H new ATOM 0 HB ILE A 105 12.562 2.468 -2.939 1.00 21.01 H new ATOM 0 HG12 ILE A 105 12.609 -0.063 -2.171 1.00 13.45 H new ATOM 0 HG13 ILE A 105 14.262 0.317 -1.730 1.00 13.45 H new ATOM 0 HG21 ILE A 105 12.230 0.463 -4.370 1.00 54.20 H new ATOM 0 HG22 ILE A 105 13.162 1.728 -5.206 1.00 54.20 H new ATOM 0 HG23 ILE A 105 13.995 0.305 -4.535 1.00 54.20 H new ATOM 0 HD11 ILE A 105 12.761 0.596 0.175 1.00 65.00 H new ATOM 0 HD12 ILE A 105 13.470 2.159 -0.295 1.00 65.00 H new ATOM 0 HD13 ILE A 105 11.791 1.773 -0.742 1.00 65.00 H new ATOM 1695 N GLY A 106 15.405 3.165 -0.855 1.00 14.01 N ATOM 1696 CA GLY A 106 15.663 4.080 0.240 1.00 4.43 C ATOM 1697 C GLY A 106 14.430 4.533 0.998 1.00 60.12 C ATOM 1698 O GLY A 106 14.023 3.904 1.974 1.00 20.42 O ATOM 0 H GLY A 106 15.770 2.224 -0.709 1.00 14.01 H new ATOM 0 HA2 GLY A 106 16.347 3.601 0.941 1.00 4.43 H new ATOM 0 HA3 GLY A 106 16.173 4.959 -0.153 1.00 4.43 H new ATOM 1702 N GLU A 107 13.822 5.612 0.526 1.00 50.32 N ATOM 1703 CA GLU A 107 12.827 6.345 1.304 1.00 45.21 C ATOM 1704 C GLU A 107 11.401 5.894 0.998 1.00 30.32 C ATOM 1705 O GLU A 107 10.452 6.664 1.149 1.00 21.43 O ATOM 1706 CB GLU A 107 12.992 7.841 1.031 1.00 10.23 C ATOM 1707 CG GLU A 107 14.410 8.328 1.277 1.00 34.44 C ATOM 1708 CD GLU A 107 14.603 9.786 0.929 1.00 55.20 C ATOM 1709 OE1 GLU A 107 14.595 10.117 -0.276 1.00 51.01 O ATOM 1710 OE2 GLU A 107 14.780 10.603 1.855 1.00 41.35 O ATOM 0 H GLU A 107 14.001 6.003 -0.399 1.00 50.32 H new ATOM 0 HA GLU A 107 12.995 6.136 2.360 1.00 45.21 H new ATOM 0 HB2 GLU A 107 12.714 8.051 -0.002 1.00 10.23 H new ATOM 0 HB3 GLU A 107 12.305 8.400 1.666 1.00 10.23 H new ATOM 0 HG2 GLU A 107 14.664 8.174 2.326 1.00 34.44 H new ATOM 0 HG3 GLU A 107 15.102 7.725 0.689 1.00 34.44 H new ATOM 1717 N ASP A 108 11.251 4.645 0.592 1.00 14.10 N ATOM 1718 CA ASP A 108 9.930 4.066 0.369 1.00 15.33 C ATOM 1719 C ASP A 108 9.719 2.897 1.332 1.00 51.03 C ATOM 1720 O ASP A 108 10.664 2.472 2.002 1.00 2.43 O ATOM 1721 CB ASP A 108 9.772 3.616 -1.091 1.00 45.00 C ATOM 1722 CG ASP A 108 8.405 3.023 -1.383 1.00 34.41 C ATOM 1723 OD1 ASP A 108 7.396 3.553 -0.863 1.00 21.24 O ATOM 1724 OD2 ASP A 108 8.338 2.015 -2.116 1.00 60.14 O ATOM 0 H ASP A 108 12.027 4.008 0.409 1.00 14.10 H new ATOM 0 HA ASP A 108 9.169 4.823 0.561 1.00 15.33 H new ATOM 0 HB2 ASP A 108 9.940 4.469 -1.749 1.00 45.00 H new ATOM 0 HB3 ASP A 108 10.540 2.878 -1.323 1.00 45.00 H new ATOM 1729 N HIS A 109 8.487 2.390 1.402 1.00 65.12 N ATOM 1730 CA HIS A 109 8.119 1.335 2.348 1.00 2.40 C ATOM 1731 C HIS A 109 8.248 1.855 3.774 1.00 34.45 C ATOM 1732 O HIS A 109 8.831 1.201 4.640 1.00 71.25 O ATOM 1733 CB HIS A 109 8.985 0.073 2.174 1.00 52.12 C ATOM 1734 CG HIS A 109 8.842 -0.600 0.843 1.00 72.22 C ATOM 1735 ND1 HIS A 109 8.208 -1.816 0.670 1.00 50.35 N ATOM 1736 CD2 HIS A 109 9.278 -0.233 -0.384 1.00 63.24 C ATOM 1737 CE1 HIS A 109 8.266 -2.161 -0.601 1.00 43.02 C ATOM 1738 NE2 HIS A 109 8.908 -1.219 -1.261 1.00 21.32 N ATOM 0 H HIS A 109 7.718 2.698 0.807 1.00 65.12 H new ATOM 0 HA HIS A 109 7.085 1.056 2.144 1.00 2.40 H new ATOM 0 HB2 HIS A 109 10.031 0.343 2.320 1.00 52.12 H new ATOM 0 HB3 HIS A 109 8.727 -0.640 2.957 1.00 52.12 H new ATOM 0 HD1 HIS A 109 7.765 -2.361 1.410 1.00 50.35 H new ATOM 0 HD2 HIS A 109 9.818 0.670 -0.627 1.00 63.24 H new ATOM 0 HE1 HIS A 109 7.856 -3.064 -1.029 1.00 43.02 H new ATOM 1747 N ILE A 110 7.703 3.038 4.008 1.00 1.33 N ATOM 1748 CA ILE A 110 7.788 3.659 5.322 1.00 63.05 C ATOM 1749 C ILE A 110 6.455 3.531 6.054 1.00 4.15 C ATOM 1750 O ILE A 110 5.534 2.870 5.569 1.00 2.31 O ATOM 1751 CB ILE A 110 8.216 5.153 5.264 1.00 72.13 C ATOM 1752 CG1 ILE A 110 7.091 6.066 4.747 1.00 32.42 C ATOM 1753 CG2 ILE A 110 9.468 5.315 4.411 1.00 65.13 C ATOM 1754 CD1 ILE A 110 6.747 5.885 3.286 1.00 62.23 C ATOM 0 H ILE A 110 7.200 3.586 3.310 1.00 1.33 H new ATOM 0 HA ILE A 110 8.566 3.125 5.868 1.00 63.05 H new ATOM 0 HB ILE A 110 8.436 5.463 6.286 1.00 72.13 H new ATOM 0 HG12 ILE A 110 6.195 5.887 5.341 1.00 32.42 H new ATOM 0 HG13 ILE A 110 7.380 7.104 4.912 1.00 32.42 H new ATOM 0 HG21 ILE A 110 9.754 6.366 4.381 1.00 65.13 H new ATOM 0 HG22 ILE A 110 10.280 4.730 4.842 1.00 65.13 H new ATOM 0 HG23 ILE A 110 9.266 4.965 3.399 1.00 65.13 H new ATOM 0 HD11 ILE A 110 5.944 6.570 3.014 1.00 62.23 H new ATOM 0 HD12 ILE A 110 7.626 6.095 2.677 1.00 62.23 H new ATOM 0 HD13 ILE A 110 6.422 4.859 3.113 1.00 62.23 H new ATOM 1766 N PHE A 111 6.360 4.139 7.225 1.00 54.20 N ATOM 1767 CA PHE A 111 5.164 4.029 8.039 1.00 33.02 C ATOM 1768 C PHE A 111 4.726 5.400 8.549 1.00 12.32 C ATOM 1769 O PHE A 111 5.501 6.101 9.197 1.00 71.34 O ATOM 1770 CB PHE A 111 5.422 3.066 9.205 1.00 30.50 C ATOM 1771 CG PHE A 111 5.893 1.709 8.752 1.00 11.31 C ATOM 1772 CD1 PHE A 111 7.245 1.451 8.580 1.00 60.31 C ATOM 1773 CD2 PHE A 111 4.987 0.696 8.483 1.00 32.00 C ATOM 1774 CE1 PHE A 111 7.680 0.212 8.152 1.00 20.45 C ATOM 1775 CE2 PHE A 111 5.418 -0.544 8.053 1.00 23.14 C ATOM 1776 CZ PHE A 111 6.766 -0.785 7.886 1.00 41.40 C ATOM 0 H PHE A 111 7.098 4.714 7.632 1.00 54.20 H new ATOM 0 HA PHE A 111 4.354 3.632 7.427 1.00 33.02 H new ATOM 0 HB2 PHE A 111 6.168 3.501 9.870 1.00 30.50 H new ATOM 0 HB3 PHE A 111 4.506 2.952 9.785 1.00 30.50 H new ATOM 0 HD1 PHE A 111 7.966 2.229 8.783 1.00 60.31 H new ATOM 0 HD2 PHE A 111 3.930 0.878 8.611 1.00 32.00 H new ATOM 0 HE1 PHE A 111 8.736 0.024 8.026 1.00 20.45 H new ATOM 0 HE2 PHE A 111 4.700 -1.324 7.848 1.00 23.14 H new ATOM 0 HZ PHE A 111 7.105 -1.753 7.547 1.00 41.40 H new ATOM 1786 N MET A 112 3.478 5.764 8.239 1.00 34.23 N ATOM 1787 CA MET A 112 2.898 7.060 8.622 1.00 73.44 C ATOM 1788 C MET A 112 3.761 8.232 8.138 1.00 62.11 C ATOM 1789 O MET A 112 4.610 8.737 8.872 1.00 21.41 O ATOM 1790 CB MET A 112 2.715 7.132 10.144 1.00 42.41 C ATOM 1791 CG MET A 112 1.947 8.357 10.630 1.00 73.43 C ATOM 1792 SD MET A 112 0.156 8.109 10.672 1.00 65.14 S ATOM 1793 CE MET A 112 -0.254 8.041 8.930 1.00 22.53 C ATOM 0 H MET A 112 2.838 5.168 7.714 1.00 34.23 H new ATOM 0 HA MET A 112 1.924 7.142 8.139 1.00 73.44 H new ATOM 0 HB2 MET A 112 2.193 6.235 10.478 1.00 42.41 H new ATOM 0 HB3 MET A 112 3.697 7.123 10.616 1.00 42.41 H new ATOM 0 HG2 MET A 112 2.294 8.622 11.629 1.00 73.43 H new ATOM 0 HG3 MET A 112 2.175 9.201 9.980 1.00 73.43 H new ATOM 0 HE1 MET A 112 -1.137 8.651 8.740 1.00 22.53 H new ATOM 0 HE2 MET A 112 0.583 8.422 8.344 1.00 22.53 H new ATOM 0 HE3 MET A 112 -0.457 7.009 8.644 1.00 22.53 H new ATOM 1803 N THR A 113 3.555 8.660 6.894 1.00 20.10 N ATOM 1804 CA THR A 113 4.388 9.716 6.313 1.00 64.21 C ATOM 1805 C THR A 113 3.704 10.443 5.143 1.00 13.34 C ATOM 1806 O THR A 113 3.642 11.674 5.123 1.00 44.34 O ATOM 1807 CB THR A 113 5.734 9.141 5.818 1.00 53.34 C ATOM 1808 OG1 THR A 113 6.490 8.606 6.915 1.00 75.44 O ATOM 1809 CG2 THR A 113 6.551 10.204 5.102 1.00 55.03 C ATOM 0 H THR A 113 2.829 8.299 6.275 1.00 20.10 H new ATOM 0 HA THR A 113 4.554 10.439 7.111 1.00 64.21 H new ATOM 0 HB THR A 113 5.513 8.339 5.114 1.00 53.34 H new ATOM 0 HG1 THR A 113 7.434 8.541 6.661 1.00 75.44 H new ATOM 0 HG21 THR A 113 7.493 9.772 4.764 1.00 55.03 H new ATOM 0 HG22 THR A 113 5.993 10.574 4.242 1.00 55.03 H new ATOM 0 HG23 THR A 113 6.754 11.029 5.785 1.00 55.03 H new ATOM 1817 N LEU A 114 3.180 9.668 4.188 1.00 2.24 N ATOM 1818 CA LEU A 114 2.707 10.196 2.894 1.00 72.14 C ATOM 1819 C LEU A 114 1.818 11.448 3.001 1.00 24.02 C ATOM 1820 O LEU A 114 2.092 12.427 2.307 1.00 61.23 O ATOM 1821 CB LEU A 114 1.983 9.103 2.104 1.00 42.14 C ATOM 1822 CG LEU A 114 2.806 8.408 1.011 1.00 51.32 C ATOM 1823 CD1 LEU A 114 3.072 9.356 -0.152 1.00 0.34 C ATOM 1824 CD2 LEU A 114 4.111 7.863 1.573 1.00 44.03 C ATOM 0 H LEU A 114 3.070 8.659 4.285 1.00 2.24 H new ATOM 0 HA LEU A 114 3.605 10.514 2.364 1.00 72.14 H new ATOM 0 HB2 LEU A 114 1.634 8.345 2.806 1.00 42.14 H new ATOM 0 HB3 LEU A 114 1.098 9.541 1.642 1.00 42.14 H new ATOM 0 HG LEU A 114 2.224 7.566 0.637 1.00 51.32 H new ATOM 0 HD11 LEU A 114 3.657 8.841 -0.914 1.00 0.34 H new ATOM 0 HD12 LEU A 114 2.124 9.682 -0.580 1.00 0.34 H new ATOM 0 HD13 LEU A 114 3.626 10.224 0.206 1.00 0.34 H new ATOM 0 HD21 LEU A 114 4.674 7.376 0.777 1.00 44.03 H new ATOM 0 HD22 LEU A 114 4.700 8.682 1.985 1.00 44.03 H new ATOM 0 HD23 LEU A 114 3.895 7.140 2.360 1.00 44.03 H new ATOM 1836 N PRO A 115 0.745 11.445 3.833 1.00 44.15 N ATOM 1837 CA PRO A 115 -0.143 12.615 3.975 1.00 34.31 C ATOM 1838 C PRO A 115 0.620 13.922 4.193 1.00 34.15 C ATOM 1839 O PRO A 115 0.274 14.958 3.628 1.00 14.30 O ATOM 1840 CB PRO A 115 -0.984 12.286 5.211 1.00 35.04 C ATOM 1841 CG PRO A 115 -1.045 10.804 5.237 1.00 41.13 C ATOM 1842 CD PRO A 115 0.292 10.320 4.673 1.00 11.24 C ATOM 0 HA PRO A 115 -0.728 12.777 3.070 1.00 34.31 H new ATOM 0 HB2 PRO A 115 -0.526 12.680 6.118 1.00 35.04 H new ATOM 0 HB3 PRO A 115 -1.980 12.723 5.141 1.00 35.04 H new ATOM 0 HG2 PRO A 115 -1.197 10.437 6.252 1.00 41.13 H new ATOM 0 HG3 PRO A 115 -1.878 10.437 4.637 1.00 41.13 H new ATOM 0 HD2 PRO A 115 1.006 10.100 5.467 1.00 11.24 H new ATOM 0 HD3 PRO A 115 0.174 9.407 4.090 1.00 11.24 H new ATOM 1850 N THR A 116 1.661 13.866 5.007 1.00 31.45 N ATOM 1851 CA THR A 116 2.487 15.033 5.268 1.00 34.43 C ATOM 1852 C THR A 116 3.449 15.273 4.107 1.00 52.25 C ATOM 1853 O THR A 116 3.614 16.403 3.643 1.00 30.44 O ATOM 1854 CB THR A 116 3.297 14.847 6.564 1.00 34.53 C ATOM 1855 OG1 THR A 116 2.439 14.360 7.606 1.00 41.12 O ATOM 1856 CG2 THR A 116 3.939 16.159 7.000 1.00 24.31 C ATOM 0 H THR A 116 1.955 13.022 5.500 1.00 31.45 H new ATOM 0 HA THR A 116 1.827 15.894 5.378 1.00 34.43 H new ATOM 0 HB THR A 116 4.089 14.123 6.372 1.00 34.53 H new ATOM 0 HG1 THR A 116 2.958 14.241 8.429 1.00 41.12 H new ATOM 0 HG21 THR A 116 4.505 16.000 7.918 1.00 24.31 H new ATOM 0 HG22 THR A 116 4.609 16.514 6.217 1.00 24.31 H new ATOM 0 HG23 THR A 116 3.162 16.903 7.177 1.00 24.31 H new ATOM 1864 N ALA A 117 4.050 14.188 3.631 1.00 44.04 N ATOM 1865 CA ALA A 117 5.075 14.241 2.595 1.00 60.45 C ATOM 1866 C ALA A 117 4.580 14.922 1.320 1.00 21.22 C ATOM 1867 O ALA A 117 5.056 16.004 0.971 1.00 74.54 O ATOM 1868 CB ALA A 117 5.571 12.837 2.283 1.00 13.41 C ATOM 0 H ALA A 117 3.839 13.244 3.954 1.00 44.04 H new ATOM 0 HA ALA A 117 5.897 14.843 2.981 1.00 60.45 H new ATOM 0 HB1 ALA A 117 6.336 12.885 1.508 1.00 13.41 H new ATOM 0 HB2 ALA A 117 5.994 12.392 3.184 1.00 13.41 H new ATOM 0 HB3 ALA A 117 4.739 12.226 1.933 1.00 13.41 H new ATOM 1874 N VAL A 118 3.619 14.305 0.640 1.00 24.15 N ATOM 1875 CA VAL A 118 3.168 14.804 -0.658 1.00 11.52 C ATOM 1876 C VAL A 118 2.596 16.214 -0.549 1.00 12.51 C ATOM 1877 O VAL A 118 2.830 17.052 -1.421 1.00 73.42 O ATOM 1878 CB VAL A 118 2.131 13.870 -1.321 1.00 52.01 C ATOM 1879 CG1 VAL A 118 2.780 12.551 -1.713 1.00 53.31 C ATOM 1880 CG2 VAL A 118 0.939 13.625 -0.406 1.00 64.32 C ATOM 0 H VAL A 118 3.139 13.464 0.962 1.00 24.15 H new ATOM 0 HA VAL A 118 4.053 14.830 -1.294 1.00 11.52 H new ATOM 0 HB VAL A 118 1.764 14.363 -2.221 1.00 52.01 H new ATOM 0 HG11 VAL A 118 2.037 11.904 -2.179 1.00 53.31 H new ATOM 0 HG12 VAL A 118 3.590 12.739 -2.418 1.00 53.31 H new ATOM 0 HG13 VAL A 118 3.179 12.063 -0.824 1.00 53.31 H new ATOM 0 HG21 VAL A 118 0.229 12.964 -0.903 1.00 64.32 H new ATOM 0 HG22 VAL A 118 1.280 13.161 0.520 1.00 64.32 H new ATOM 0 HG23 VAL A 118 0.454 14.574 -0.179 1.00 64.32 H new ATOM 1890 N GLN A 119 1.875 16.474 0.537 1.00 64.53 N ATOM 1891 CA GLN A 119 1.278 17.780 0.773 1.00 51.30 C ATOM 1892 C GLN A 119 2.346 18.870 0.775 1.00 42.13 C ATOM 1893 O GLN A 119 2.191 19.911 0.137 1.00 25.21 O ATOM 1894 CB GLN A 119 0.531 17.773 2.109 1.00 44.43 C ATOM 1895 CG GLN A 119 -0.030 19.129 2.509 1.00 24.23 C ATOM 1896 CD GLN A 119 -0.760 19.100 3.840 1.00 70.51 C ATOM 1897 OE1 GLN A 119 -0.357 18.205 4.729 1.00 2.44 O flip ATOM 1898 NE2 GLN A 119 -1.684 19.879 4.068 1.00 43.24 N flip ATOM 0 H GLN A 119 1.690 15.791 1.271 1.00 64.53 H new ATOM 0 HA GLN A 119 0.575 17.992 -0.032 1.00 51.30 H new ATOM 0 HB2 GLN A 119 -0.287 17.055 2.053 1.00 44.43 H new ATOM 0 HB3 GLN A 119 1.207 17.426 2.890 1.00 44.43 H new ATOM 0 HG2 GLN A 119 0.785 19.851 2.563 1.00 24.23 H new ATOM 0 HG3 GLN A 119 -0.713 19.476 1.734 1.00 24.23 H new ATOM 0 HE21 GLN A 119 -1.967 20.555 3.359 1.00 43.24 H new ATOM 0 HE22 GLN A 119 -2.167 19.849 4.966 1.00 43.24 H new ATOM 1907 N ALA A 120 3.442 18.610 1.474 1.00 74.04 N ATOM 1908 CA ALA A 120 4.498 19.595 1.623 1.00 54.53 C ATOM 1909 C ALA A 120 5.414 19.631 0.406 1.00 64.10 C ATOM 1910 O ALA A 120 5.711 20.704 -0.125 1.00 53.03 O ATOM 1911 CB ALA A 120 5.297 19.316 2.887 1.00 34.10 C ATOM 0 H ALA A 120 3.621 17.724 1.946 1.00 74.04 H new ATOM 0 HA ALA A 120 4.031 20.576 1.705 1.00 54.53 H new ATOM 0 HB1 ALA A 120 6.087 20.060 2.990 1.00 34.10 H new ATOM 0 HB2 ALA A 120 4.637 19.365 3.753 1.00 34.10 H new ATOM 0 HB3 ALA A 120 5.741 18.322 2.825 1.00 34.10 H new ATOM 1917 N PHE A 121 5.842 18.463 -0.050 1.00 2.40 N ATOM 1918 CA PHE A 121 6.807 18.379 -1.140 1.00 31.24 C ATOM 1919 C PHE A 121 6.281 19.022 -2.420 1.00 20.45 C ATOM 1920 O PHE A 121 7.038 19.657 -3.154 1.00 21.40 O ATOM 1921 CB PHE A 121 7.195 16.922 -1.419 1.00 73.34 C ATOM 1922 CG PHE A 121 8.003 16.282 -0.321 1.00 5.14 C ATOM 1923 CD1 PHE A 121 8.894 17.033 0.432 1.00 44.51 C ATOM 1924 CD2 PHE A 121 7.882 14.927 -0.051 1.00 22.04 C ATOM 1925 CE1 PHE A 121 9.643 16.447 1.434 1.00 31.15 C ATOM 1926 CE2 PHE A 121 8.628 14.337 0.951 1.00 3.42 C ATOM 1927 CZ PHE A 121 9.510 15.098 1.695 1.00 32.41 C ATOM 0 H PHE A 121 5.538 17.561 0.316 1.00 2.40 H new ATOM 0 HA PHE A 121 7.690 18.931 -0.820 1.00 31.24 H new ATOM 0 HB2 PHE A 121 6.288 16.339 -1.575 1.00 73.34 H new ATOM 0 HB3 PHE A 121 7.765 16.880 -2.347 1.00 73.34 H new ATOM 0 HD1 PHE A 121 9.003 18.089 0.232 1.00 44.51 H new ATOM 0 HD2 PHE A 121 7.197 14.326 -0.631 1.00 22.04 H new ATOM 0 HE1 PHE A 121 10.332 17.044 2.013 1.00 31.15 H new ATOM 0 HE2 PHE A 121 8.522 13.281 1.153 1.00 3.42 H new ATOM 0 HZ PHE A 121 10.094 14.638 2.479 1.00 32.41 H new ATOM 1937 N ARG A 122 4.985 18.895 -2.672 1.00 12.13 N ATOM 1938 CA ARG A 122 4.427 19.320 -3.950 1.00 74.14 C ATOM 1939 C ARG A 122 4.026 20.790 -3.987 1.00 60.54 C ATOM 1940 O ARG A 122 3.436 21.246 -4.967 1.00 44.22 O ATOM 1941 CB ARG A 122 3.259 18.429 -4.352 1.00 24.52 C ATOM 1942 CG ARG A 122 3.720 17.060 -4.803 1.00 2.43 C ATOM 1943 CD ARG A 122 4.855 17.186 -5.815 1.00 73.04 C ATOM 1944 NE ARG A 122 5.128 15.936 -6.512 1.00 52.34 N ATOM 1945 CZ ARG A 122 6.084 15.780 -7.422 1.00 54.14 C ATOM 1946 NH1 ARG A 122 6.973 16.745 -7.638 1.00 52.51 N ATOM 1947 NH2 ARG A 122 6.168 14.639 -8.088 1.00 40.30 N ATOM 0 H ARG A 122 4.307 18.506 -2.017 1.00 12.13 H new ATOM 0 HA ARG A 122 5.229 19.211 -4.680 1.00 74.14 H new ATOM 0 HB2 ARG A 122 2.577 18.322 -3.508 1.00 24.52 H new ATOM 0 HB3 ARG A 122 2.699 18.906 -5.156 1.00 24.52 H new ATOM 0 HG2 ARG A 122 4.055 16.480 -3.943 1.00 2.43 H new ATOM 0 HG3 ARG A 122 2.886 16.517 -5.248 1.00 2.43 H new ATOM 0 HD2 ARG A 122 4.603 17.956 -6.544 1.00 73.04 H new ATOM 0 HD3 ARG A 122 5.758 17.516 -5.302 1.00 73.04 H new ATOM 0 HE ARG A 122 4.548 15.128 -6.287 1.00 52.34 H new ATOM 0 HH11 ARG A 122 6.924 17.612 -7.104 1.00 52.51 H new ATOM 0 HH12 ARG A 122 7.704 16.618 -8.338 1.00 52.51 H new ATOM 0 HH21 ARG A 122 5.502 13.889 -7.901 1.00 40.30 H new ATOM 0 HH22 ARG A 122 6.898 14.510 -8.788 1.00 40.30 H new ATOM 1961 N ARG A 123 4.346 21.536 -2.942 1.00 64.42 N ATOM 1962 CA ARG A 123 4.235 22.986 -3.020 1.00 13.23 C ATOM 1963 C ARG A 123 5.557 23.624 -2.602 1.00 3.32 C ATOM 1964 O ARG A 123 5.702 24.846 -2.611 1.00 71.02 O ATOM 1965 CB ARG A 123 3.045 23.522 -2.199 1.00 43.44 C ATOM 1966 CG ARG A 123 3.369 24.014 -0.795 1.00 23.14 C ATOM 1967 CD ARG A 123 3.587 22.876 0.180 1.00 43.34 C ATOM 1968 NE ARG A 123 3.619 23.351 1.560 1.00 31.40 N ATOM 1969 CZ ARG A 123 4.652 23.198 2.383 1.00 63.45 C ATOM 1970 NH1 ARG A 123 5.773 22.625 1.966 1.00 31.04 N ATOM 1971 NH2 ARG A 123 4.566 23.635 3.629 1.00 44.12 N ATOM 0 H ARG A 123 4.678 21.174 -2.048 1.00 64.42 H new ATOM 0 HA ARG A 123 4.030 23.263 -4.054 1.00 13.23 H new ATOM 0 HB2 ARG A 123 2.587 24.342 -2.753 1.00 43.44 H new ATOM 0 HB3 ARG A 123 2.297 22.732 -2.122 1.00 43.44 H new ATOM 0 HG2 ARG A 123 4.263 24.636 -0.828 1.00 23.14 H new ATOM 0 HG3 ARG A 123 2.555 24.644 -0.437 1.00 23.14 H new ATOM 0 HD2 ARG A 123 2.791 22.140 0.066 1.00 43.34 H new ATOM 0 HD3 ARG A 123 4.524 22.370 -0.053 1.00 43.34 H new ATOM 0 HE ARG A 123 2.794 23.833 1.917 1.00 31.40 H new ATOM 0 HH11 ARG A 123 5.850 22.296 1.004 1.00 31.04 H new ATOM 0 HH12 ARG A 123 6.558 22.514 2.608 1.00 31.04 H new ATOM 0 HH21 ARG A 123 3.711 24.086 3.953 1.00 44.12 H new ATOM 0 HH22 ARG A 123 5.355 23.521 4.265 1.00 44.12 H new ATOM 1985 N ARG A 124 6.525 22.760 -2.281 1.00 51.45 N ATOM 1986 CA ARG A 124 7.885 23.166 -1.926 1.00 42.21 C ATOM 1987 C ARG A 124 7.896 24.049 -0.684 1.00 44.32 C ATOM 1988 O ARG A 124 8.041 23.497 0.424 1.00 71.24 O ATOM 1989 CB ARG A 124 8.575 23.871 -3.102 1.00 33.14 C ATOM 1990 CG ARG A 124 8.618 23.030 -4.372 1.00 64.34 C ATOM 1991 CD ARG A 124 9.287 21.683 -4.139 1.00 14.40 C ATOM 1992 NE ARG A 124 10.710 21.811 -3.829 1.00 33.24 N ATOM 1993 CZ ARG A 124 11.289 21.286 -2.746 1.00 14.51 C ATOM 1994 NH1 ARG A 124 10.559 20.662 -1.829 1.00 4.53 N ATOM 1995 NH2 ARG A 124 12.599 21.400 -2.578 1.00 31.22 N ATOM 0 H ARG A 124 6.383 21.750 -2.261 1.00 51.45 H new ATOM 0 HA ARG A 124 8.447 22.261 -1.696 1.00 42.21 H new ATOM 0 HB2 ARG A 124 8.054 24.805 -3.312 1.00 33.14 H new ATOM 0 HB3 ARG A 124 9.593 24.131 -2.813 1.00 33.14 H new ATOM 0 HG2 ARG A 124 7.603 22.873 -4.738 1.00 64.34 H new ATOM 0 HG3 ARG A 124 9.156 23.573 -5.149 1.00 64.34 H new ATOM 0 HD2 ARG A 124 8.785 21.168 -3.320 1.00 14.40 H new ATOM 0 HD3 ARG A 124 9.166 21.062 -5.027 1.00 14.40 H new ATOM 0 HE ARG A 124 11.297 22.333 -4.480 1.00 33.24 H new ATOM 0 HH11 ARG A 124 9.549 20.581 -1.949 1.00 4.53 H new ATOM 0 HH12 ARG A 124 11.008 20.263 -1.004 1.00 4.53 H new ATOM 0 HH21 ARG A 124 13.162 21.888 -3.275 1.00 31.22 H new ATOM 0 HH22 ARG A 124 13.044 21.000 -1.752 1.00 31.22 H new