USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 805 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 59 GLN :FLIP amide:sc= -2 F(o=-2.6!,f=-0.64) USER MOD Set 1.2: A 62 SER OG : rot -155:sc= 1.36 USER MOD Set 2.1: A 8 LYS NZ :NH3+ -163:sc= 2 (180deg=1.14) USER MOD Set 2.2: A 91 SER OG : rot 180:sc= 1.07 USER MOD Set 3.1: A 6 CYS SG : rot 180:sc= 0.0278 USER MOD Set 3.2: A 26 GLN : amide:sc= 0.0286 K(o=0.056,f=-0.78) USER MOD Single : A 1 SER N :NH3+ -102:sc= 0.116 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0103 USER MOD Single : A 23 LYS NZ :NH3+ 163:sc= 1.01 (180deg=0.606) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN :FLIP amide:sc=-0.00198 F(o=-1.2!,f=-0.002) USER MOD Single : A 40 ASN : amide:sc= 0.104 K(o=0.1,f=-2.9!) USER MOD Single : A 46 LYS NZ :NH3+ 150:sc= 1.05 (180deg=1.03) USER MOD Single : A 47 LYS NZ :NH3+ 164:sc= -0.043 (180deg=-0.303) USER MOD Single : A 48 ASN : amide:sc= 0.928 K(o=0.93,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 1.12 K(o=1.1,f=-0.58) USER MOD Single : A 84 TYR OH : rot 30:sc= -5.09! USER MOD Single : A 85 GLN :FLIP amide:sc= -0.522! C(o=-3.9!,f=-0.52!) USER MOD Single : A 87 GLN : amide:sc= -1.72 K(o=-1.7,f=-3!) USER MOD Single : A 89 GLN : amide:sc= 0.358 K(o=0.36,f=-0.24) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -42:sc= 0.0845 USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.0029) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 16.149 -10.106 7.920 1.00 5.35 N ATOM 2 CA SER A 1 15.749 -8.687 7.868 1.00 4.89 C ATOM 3 C SER A 1 16.305 -8.037 6.607 1.00 4.07 C ATOM 4 O SER A 1 17.219 -8.571 5.980 1.00 4.19 O ATOM 5 CB SER A 1 16.262 -7.959 9.110 1.00 5.38 C ATOM 6 OG SER A 1 15.861 -8.625 10.298 1.00 5.96 O ATOM 0 H1 SER A 1 15.347 -10.703 7.633 1.00 5.35 H new ATOM 0 H2 SER A 1 16.948 -10.265 7.274 1.00 5.35 H new ATOM 0 H3 SER A 1 16.434 -10.351 8.890 1.00 5.35 H new ATOM 0 HA SER A 1 14.661 -8.621 7.845 1.00 4.89 H new ATOM 0 HB2 SER A 1 17.350 -7.896 9.075 1.00 5.38 H new ATOM 0 HB3 SER A 1 15.884 -6.937 9.118 1.00 5.38 H new ATOM 0 HG SER A 1 16.204 -8.139 11.077 1.00 5.96 H new ATOM 14 N ALA A 2 15.750 -6.893 6.226 1.00 3.54 N ATOM 15 CA ALA A 2 16.216 -6.191 5.039 1.00 2.75 C ATOM 16 C ALA A 2 17.402 -5.299 5.360 1.00 2.55 C ATOM 17 O ALA A 2 17.283 -4.340 6.125 1.00 2.81 O ATOM 18 CB ALA A 2 15.100 -5.362 4.420 1.00 2.31 C ATOM 0 H ALA A 2 14.983 -6.435 6.718 1.00 3.54 H new ATOM 0 HA ALA A 2 16.532 -6.946 4.319 1.00 2.75 H new ATOM 0 HB1 ALA A 2 15.476 -4.848 3.535 1.00 2.31 H new ATOM 0 HB2 ALA A 2 14.275 -6.016 4.137 1.00 2.31 H new ATOM 0 HB3 ALA A 2 14.748 -4.627 5.144 1.00 2.31 H new ATOM 24 N ALA A 3 18.550 -5.636 4.793 1.00 2.36 N ATOM 25 CA ALA A 3 19.713 -4.764 4.854 1.00 2.24 C ATOM 26 C ALA A 3 19.442 -3.434 4.145 1.00 1.58 C ATOM 27 O ALA A 3 19.849 -2.386 4.644 1.00 2.00 O ATOM 28 CB ALA A 3 20.936 -5.441 4.258 1.00 2.41 C ATOM 0 H ALA A 3 18.701 -6.508 4.285 1.00 2.36 H new ATOM 0 HA ALA A 3 19.914 -4.557 5.905 1.00 2.24 H new ATOM 0 HB1 ALA A 3 21.790 -4.766 4.317 1.00 2.41 H new ATOM 0 HB2 ALA A 3 21.154 -6.353 4.814 1.00 2.41 H new ATOM 0 HB3 ALA A 3 20.742 -5.690 3.215 1.00 2.41 H new ATOM 34 N PRO A 4 18.792 -3.444 2.949 1.00 0.85 N ATOM 35 CA PRO A 4 18.372 -2.209 2.279 1.00 0.76 C ATOM 36 C PRO A 4 17.420 -1.365 3.130 1.00 0.79 C ATOM 37 O PRO A 4 17.860 -0.492 3.877 1.00 1.23 O ATOM 38 CB PRO A 4 17.671 -2.688 0.999 1.00 1.00 C ATOM 39 CG PRO A 4 17.388 -4.130 1.226 1.00 1.18 C ATOM 40 CD PRO A 4 18.480 -4.625 2.120 1.00 1.10 C ATOM 0 HA PRO A 4 19.226 -1.559 2.085 1.00 0.76 H new ATOM 0 HB2 PRO A 4 16.752 -2.130 0.821 1.00 1.00 H new ATOM 0 HB3 PRO A 4 18.306 -2.544 0.125 1.00 1.00 H new ATOM 0 HG2 PRO A 4 16.411 -4.268 1.689 1.00 1.18 H new ATOM 0 HG3 PRO A 4 17.375 -4.679 0.284 1.00 1.18 H new ATOM 0 HD2 PRO A 4 18.153 -5.469 2.727 1.00 1.10 H new ATOM 0 HD3 PRO A 4 19.347 -4.959 1.551 1.00 1.10 H new ATOM 48 N LEU A 5 16.119 -1.635 3.030 1.00 0.43 N ATOM 49 CA LEU A 5 15.114 -0.845 3.739 1.00 0.45 C ATOM 50 C LEU A 5 13.973 -1.733 4.210 1.00 0.37 C ATOM 51 O LEU A 5 13.677 -2.757 3.590 1.00 0.42 O ATOM 52 CB LEU A 5 14.541 0.243 2.827 1.00 0.52 C ATOM 53 CG LEU A 5 15.564 1.082 2.064 1.00 0.60 C ATOM 54 CD1 LEU A 5 14.857 1.911 1.015 1.00 1.28 C ATOM 55 CD2 LEU A 5 16.338 1.976 3.014 1.00 1.27 C ATOM 0 H LEU A 5 15.737 -2.394 2.466 1.00 0.43 H new ATOM 0 HA LEU A 5 15.601 -0.384 4.598 1.00 0.45 H new ATOM 0 HB2 LEU A 5 13.876 -0.229 2.104 1.00 0.52 H new ATOM 0 HB3 LEU A 5 13.930 0.913 3.432 1.00 0.52 H new ATOM 0 HG LEU A 5 16.274 0.416 1.574 1.00 0.60 H new ATOM 0 HD11 LEU A 5 15.588 2.509 0.471 1.00 1.28 H new ATOM 0 HD12 LEU A 5 14.338 1.252 0.319 1.00 1.28 H new ATOM 0 HD13 LEU A 5 14.135 2.570 1.498 1.00 1.28 H new ATOM 0 HD21 LEU A 5 17.062 2.565 2.451 1.00 1.27 H new ATOM 0 HD22 LEU A 5 15.648 2.644 3.529 1.00 1.27 H new ATOM 0 HD23 LEU A 5 16.862 1.362 3.746 1.00 1.27 H new ATOM 67 N CYS A 6 13.330 -1.339 5.294 1.00 0.34 N ATOM 68 CA CYS A 6 12.191 -2.072 5.807 1.00 0.31 C ATOM 69 C CYS A 6 10.964 -1.167 5.855 1.00 0.24 C ATOM 70 O CYS A 6 11.009 -0.087 6.442 1.00 0.27 O ATOM 71 CB CYS A 6 12.527 -2.610 7.194 1.00 0.40 C ATOM 72 SG CYS A 6 11.164 -3.474 8.016 1.00 1.35 S ATOM 0 H CYS A 6 13.580 -0.512 5.837 1.00 0.34 H new ATOM 0 HA CYS A 6 11.964 -2.910 5.148 1.00 0.31 H new ATOM 0 HB2 CYS A 6 13.374 -3.291 7.110 1.00 0.40 H new ATOM 0 HB3 CYS A 6 12.847 -1.780 7.824 1.00 0.40 H new ATOM 0 HG CYS A 6 11.556 -3.891 9.183 1.00 1.35 H new ATOM 78 N VAL A 7 9.875 -1.596 5.223 1.00 0.24 N ATOM 79 CA VAL A 7 8.661 -0.790 5.169 1.00 0.25 C ATOM 80 C VAL A 7 7.469 -1.567 5.728 1.00 0.25 C ATOM 81 O VAL A 7 7.467 -2.801 5.742 1.00 0.31 O ATOM 82 CB VAL A 7 8.348 -0.310 3.730 1.00 0.28 C ATOM 83 CG1 VAL A 7 9.502 0.509 3.175 1.00 0.64 C ATOM 84 CG2 VAL A 7 8.041 -1.477 2.807 1.00 0.61 C ATOM 0 H VAL A 7 9.809 -2.494 4.743 1.00 0.24 H new ATOM 0 HA VAL A 7 8.836 0.091 5.786 1.00 0.25 H new ATOM 0 HB VAL A 7 7.460 0.321 3.781 1.00 0.28 H new ATOM 0 HG11 VAL A 7 9.262 0.837 2.163 1.00 0.64 H new ATOM 0 HG12 VAL A 7 9.668 1.380 3.809 1.00 0.64 H new ATOM 0 HG13 VAL A 7 10.405 -0.102 3.154 1.00 0.64 H new ATOM 0 HG21 VAL A 7 7.826 -1.103 1.806 1.00 0.61 H new ATOM 0 HG22 VAL A 7 8.901 -2.146 2.767 1.00 0.61 H new ATOM 0 HG23 VAL A 7 7.175 -2.021 3.184 1.00 0.61 H new ATOM 94 N LYS A 8 6.469 -0.842 6.206 1.00 0.26 N ATOM 95 CA LYS A 8 5.287 -1.459 6.792 1.00 0.28 C ATOM 96 C LYS A 8 4.039 -1.075 6.012 1.00 0.28 C ATOM 97 O LYS A 8 3.802 0.100 5.759 1.00 0.38 O ATOM 98 CB LYS A 8 5.125 -1.021 8.252 1.00 0.35 C ATOM 99 CG LYS A 8 3.866 -1.556 8.925 1.00 0.61 C ATOM 100 CD LYS A 8 3.713 -1.017 10.340 1.00 0.86 C ATOM 101 CE LYS A 8 3.483 0.487 10.354 1.00 1.08 C ATOM 102 NZ LYS A 8 2.165 0.859 9.768 1.00 1.61 N ATOM 0 H LYS A 8 6.452 0.178 6.200 1.00 0.26 H new ATOM 0 HA LYS A 8 5.416 -2.541 6.750 1.00 0.28 H new ATOM 0 HB2 LYS A 8 5.996 -1.352 8.818 1.00 0.35 H new ATOM 0 HB3 LYS A 8 5.112 0.068 8.294 1.00 0.35 H new ATOM 0 HG2 LYS A 8 2.992 -1.281 8.334 1.00 0.61 H new ATOM 0 HG3 LYS A 8 3.902 -2.645 8.952 1.00 0.61 H new ATOM 0 HD2 LYS A 8 2.877 -1.516 10.830 1.00 0.86 H new ATOM 0 HD3 LYS A 8 4.607 -1.253 10.917 1.00 0.86 H new ATOM 0 HE2 LYS A 8 3.539 0.852 11.380 1.00 1.08 H new ATOM 0 HE3 LYS A 8 4.279 0.980 9.796 1.00 1.08 H new ATOM 0 HZ1 LYS A 8 2.164 1.872 9.532 1.00 1.61 H new ATOM 0 HZ2 LYS A 8 1.999 0.302 8.906 1.00 1.61 H new ATOM 0 HZ3 LYS A 8 1.411 0.663 10.457 1.00 1.61 H new ATOM 116 N VAL A 9 3.248 -2.067 5.640 1.00 0.25 N ATOM 117 CA VAL A 9 1.969 -1.831 4.985 1.00 0.26 C ATOM 118 C VAL A 9 0.844 -2.152 5.958 1.00 0.23 C ATOM 119 O VAL A 9 0.870 -3.194 6.598 1.00 0.27 O ATOM 120 CB VAL A 9 1.821 -2.701 3.718 1.00 0.30 C ATOM 121 CG1 VAL A 9 0.439 -2.535 3.109 1.00 0.89 C ATOM 122 CG2 VAL A 9 2.903 -2.358 2.703 1.00 0.77 C ATOM 0 H VAL A 9 3.470 -3.052 5.781 1.00 0.25 H new ATOM 0 HA VAL A 9 1.921 -0.784 4.685 1.00 0.26 H new ATOM 0 HB VAL A 9 1.941 -3.746 4.005 1.00 0.30 H new ATOM 0 HG11 VAL A 9 0.357 -3.157 2.218 1.00 0.89 H new ATOM 0 HG12 VAL A 9 -0.317 -2.838 3.834 1.00 0.89 H new ATOM 0 HG13 VAL A 9 0.284 -1.491 2.838 1.00 0.89 H new ATOM 0 HG21 VAL A 9 2.782 -2.982 1.817 1.00 0.77 H new ATOM 0 HG22 VAL A 9 2.819 -1.308 2.422 1.00 0.77 H new ATOM 0 HG23 VAL A 9 3.884 -2.538 3.142 1.00 0.77 H new ATOM 132 N GLU A 10 -0.119 -1.255 6.101 1.00 0.21 N ATOM 133 CA GLU A 10 -1.175 -1.442 7.091 1.00 0.23 C ATOM 134 C GLU A 10 -2.513 -0.887 6.594 1.00 0.25 C ATOM 135 O GLU A 10 -2.554 -0.032 5.704 1.00 0.26 O ATOM 136 CB GLU A 10 -0.739 -0.776 8.400 1.00 0.28 C ATOM 137 CG GLU A 10 -1.668 -0.996 9.579 1.00 0.37 C ATOM 138 CD GLU A 10 -0.981 -0.719 10.903 1.00 0.48 C ATOM 139 OE1 GLU A 10 -0.101 0.171 10.947 1.00 0.99 O ATOM 140 OE2 GLU A 10 -1.286 -1.416 11.893 1.00 1.08 O ATOM 0 H GLU A 10 -0.194 -0.398 5.552 1.00 0.21 H new ATOM 0 HA GLU A 10 -1.330 -2.507 7.262 1.00 0.23 H new ATOM 0 HB2 GLU A 10 0.251 -1.146 8.665 1.00 0.28 H new ATOM 0 HB3 GLU A 10 -0.643 0.296 8.229 1.00 0.28 H new ATOM 0 HG2 GLU A 10 -2.539 -0.348 9.480 1.00 0.37 H new ATOM 0 HG3 GLU A 10 -2.032 -2.023 9.567 1.00 0.37 H new ATOM 147 N PHE A 11 -3.603 -1.398 7.161 1.00 0.30 N ATOM 148 CA PHE A 11 -4.941 -0.921 6.840 1.00 0.34 C ATOM 149 C PHE A 11 -5.243 0.331 7.658 1.00 0.34 C ATOM 150 O PHE A 11 -4.665 0.534 8.728 1.00 0.74 O ATOM 151 CB PHE A 11 -5.998 -1.997 7.152 1.00 0.74 C ATOM 152 CG PHE A 11 -6.760 -1.727 8.423 1.00 2.12 C ATOM 153 CD1 PHE A 11 -6.186 -1.962 9.659 1.00 2.77 C ATOM 154 CD2 PHE A 11 -8.040 -1.197 8.376 1.00 2.89 C ATOM 155 CE1 PHE A 11 -6.874 -1.680 10.819 1.00 4.09 C ATOM 156 CE2 PHE A 11 -8.731 -0.912 9.534 1.00 4.21 C ATOM 157 CZ PHE A 11 -8.147 -1.151 10.759 1.00 4.80 C ATOM 0 H PHE A 11 -3.582 -2.149 7.851 1.00 0.30 H new ATOM 0 HA PHE A 11 -4.979 -0.693 5.775 1.00 0.34 H new ATOM 0 HB2 PHE A 11 -6.700 -2.059 6.321 1.00 0.74 H new ATOM 0 HB3 PHE A 11 -5.508 -2.968 7.229 1.00 0.74 H new ATOM 0 HD1 PHE A 11 -5.188 -2.371 9.716 1.00 2.77 H new ATOM 0 HD2 PHE A 11 -8.502 -1.005 7.419 1.00 2.89 H new ATOM 0 HE1 PHE A 11 -6.416 -1.873 11.778 1.00 4.09 H new ATOM 0 HE2 PHE A 11 -9.729 -0.502 9.481 1.00 4.21 H new ATOM 0 HZ PHE A 11 -8.684 -0.925 11.669 1.00 4.80 H new ATOM 167 N GLY A 12 -6.142 1.166 7.168 1.00 0.23 N ATOM 168 CA GLY A 12 -6.526 2.335 7.925 1.00 0.39 C ATOM 169 C GLY A 12 -8.024 2.560 7.926 1.00 0.28 C ATOM 170 O GLY A 12 -8.678 2.443 8.961 1.00 0.34 O ATOM 0 H GLY A 12 -6.609 1.057 6.268 1.00 0.23 H new ATOM 0 HA2 GLY A 12 -6.177 2.229 8.952 1.00 0.39 H new ATOM 0 HA3 GLY A 12 -6.030 3.212 7.509 1.00 0.39 H new ATOM 174 N GLY A 13 -8.574 2.849 6.754 1.00 0.24 N ATOM 175 CA GLY A 13 -9.989 3.170 6.646 1.00 0.26 C ATOM 176 C GLY A 13 -10.866 1.936 6.523 1.00 0.29 C ATOM 177 O GLY A 13 -11.615 1.804 5.558 1.00 0.45 O ATOM 0 H GLY A 13 -8.065 2.868 5.870 1.00 0.24 H new ATOM 0 HA2 GLY A 13 -10.295 3.741 7.522 1.00 0.26 H new ATOM 0 HA3 GLY A 13 -10.146 3.810 5.778 1.00 0.26 H new ATOM 181 N GLY A 14 -10.769 1.029 7.493 1.00 0.28 N ATOM 182 CA GLY A 14 -11.557 -0.194 7.449 1.00 0.35 C ATOM 183 C GLY A 14 -11.141 -1.092 6.301 1.00 0.36 C ATOM 184 O GLY A 14 -11.904 -1.946 5.853 1.00 0.41 O ATOM 0 H GLY A 14 -10.161 1.118 8.307 1.00 0.28 H new ATOM 0 HA2 GLY A 14 -11.445 -0.732 8.390 1.00 0.35 H new ATOM 0 HA3 GLY A 14 -12.613 0.058 7.349 1.00 0.35 H new ATOM 188 N ALA A 15 -9.913 -0.897 5.839 1.00 0.35 N ATOM 189 CA ALA A 15 -9.403 -1.598 4.671 1.00 0.39 C ATOM 190 C ALA A 15 -9.228 -3.094 4.941 1.00 0.39 C ATOM 191 O ALA A 15 -9.305 -3.904 4.023 1.00 0.42 O ATOM 192 CB ALA A 15 -8.090 -0.963 4.221 1.00 0.44 C ATOM 0 H ALA A 15 -9.246 -0.251 6.262 1.00 0.35 H new ATOM 0 HA ALA A 15 -10.135 -1.505 3.868 1.00 0.39 H new ATOM 0 HB1 ALA A 15 -7.712 -1.491 3.346 1.00 0.44 H new ATOM 0 HB2 ALA A 15 -8.260 0.083 3.968 1.00 0.44 H new ATOM 0 HB3 ALA A 15 -7.360 -1.027 5.028 1.00 0.44 H new ATOM 198 N GLU A 16 -9.026 -3.459 6.205 1.00 0.38 N ATOM 199 CA GLU A 16 -8.782 -4.856 6.562 1.00 0.38 C ATOM 200 C GLU A 16 -10.008 -5.716 6.319 1.00 0.36 C ATOM 201 O GLU A 16 -9.884 -6.906 6.044 1.00 0.37 O ATOM 202 CB GLU A 16 -8.342 -4.996 8.022 1.00 0.45 C ATOM 203 CG GLU A 16 -9.416 -4.613 9.028 1.00 0.57 C ATOM 204 CD GLU A 16 -9.049 -4.987 10.450 1.00 1.19 C ATOM 205 OE1 GLU A 16 -8.888 -6.189 10.730 1.00 1.54 O ATOM 206 OE2 GLU A 16 -8.917 -4.083 11.296 1.00 1.60 O ATOM 0 H GLU A 16 -9.026 -2.813 6.994 1.00 0.38 H new ATOM 0 HA GLU A 16 -7.975 -5.205 5.917 1.00 0.38 H new ATOM 0 HB2 GLU A 16 -8.040 -6.027 8.203 1.00 0.45 H new ATOM 0 HB3 GLU A 16 -7.463 -4.373 8.188 1.00 0.45 H new ATOM 0 HG2 GLU A 16 -9.592 -3.539 8.974 1.00 0.57 H new ATOM 0 HG3 GLU A 16 -10.351 -5.103 8.758 1.00 0.57 H new ATOM 213 N LEU A 17 -11.185 -5.116 6.414 1.00 0.35 N ATOM 214 CA LEU A 17 -12.430 -5.847 6.239 1.00 0.37 C ATOM 215 C LEU A 17 -12.577 -6.325 4.799 1.00 0.36 C ATOM 216 O LEU A 17 -13.400 -7.190 4.500 1.00 0.41 O ATOM 217 CB LEU A 17 -13.614 -4.970 6.643 1.00 0.39 C ATOM 218 CG LEU A 17 -13.574 -4.471 8.089 1.00 0.41 C ATOM 219 CD1 LEU A 17 -14.746 -3.548 8.366 1.00 0.88 C ATOM 220 CD2 LEU A 17 -13.578 -5.643 9.060 1.00 0.83 C ATOM 0 H LEU A 17 -11.304 -4.122 6.612 1.00 0.35 H new ATOM 0 HA LEU A 17 -12.412 -6.726 6.884 1.00 0.37 H new ATOM 0 HB2 LEU A 17 -13.655 -4.109 5.976 1.00 0.39 H new ATOM 0 HB3 LEU A 17 -14.535 -5.534 6.493 1.00 0.39 H new ATOM 0 HG LEU A 17 -12.651 -3.909 8.232 1.00 0.41 H new ATOM 0 HD11 LEU A 17 -14.701 -3.203 9.399 1.00 0.88 H new ATOM 0 HD12 LEU A 17 -14.700 -2.690 7.695 1.00 0.88 H new ATOM 0 HD13 LEU A 17 -15.680 -4.087 8.204 1.00 0.88 H new ATOM 0 HD21 LEU A 17 -13.549 -5.268 10.083 1.00 0.83 H new ATOM 0 HD22 LEU A 17 -14.483 -6.233 8.915 1.00 0.83 H new ATOM 0 HD23 LEU A 17 -12.704 -6.269 8.878 1.00 0.83 H new ATOM 232 N LEU A 18 -11.757 -5.772 3.915 1.00 0.35 N ATOM 233 CA LEU A 18 -11.711 -6.223 2.531 1.00 0.39 C ATOM 234 C LEU A 18 -10.880 -7.491 2.452 1.00 0.42 C ATOM 235 O LEU A 18 -11.019 -8.295 1.529 1.00 0.49 O ATOM 236 CB LEU A 18 -11.072 -5.156 1.644 1.00 0.38 C ATOM 237 CG LEU A 18 -11.714 -3.768 1.712 1.00 0.42 C ATOM 238 CD1 LEU A 18 -10.788 -2.717 1.121 1.00 0.47 C ATOM 239 CD2 LEU A 18 -13.047 -3.760 0.979 1.00 0.49 C ATOM 0 H LEU A 18 -11.115 -5.010 4.132 1.00 0.35 H new ATOM 0 HA LEU A 18 -12.727 -6.411 2.185 1.00 0.39 H new ATOM 0 HB2 LEU A 18 -10.021 -5.064 1.917 1.00 0.38 H new ATOM 0 HB3 LEU A 18 -11.104 -5.501 0.611 1.00 0.38 H new ATOM 0 HG LEU A 18 -11.888 -3.527 2.761 1.00 0.42 H new ATOM 0 HD11 LEU A 18 -11.264 -1.738 1.180 1.00 0.47 H new ATOM 0 HD12 LEU A 18 -9.853 -2.700 1.681 1.00 0.47 H new ATOM 0 HD13 LEU A 18 -10.582 -2.958 0.078 1.00 0.47 H new ATOM 0 HD21 LEU A 18 -13.489 -2.765 1.038 1.00 0.49 H new ATOM 0 HD22 LEU A 18 -12.889 -4.026 -0.066 1.00 0.49 H new ATOM 0 HD23 LEU A 18 -13.720 -4.484 1.439 1.00 0.49 H new ATOM 251 N PHE A 19 -10.012 -7.652 3.445 1.00 0.39 N ATOM 252 CA PHE A 19 -9.047 -8.737 3.463 1.00 0.47 C ATOM 253 C PHE A 19 -9.400 -9.760 4.536 1.00 0.60 C ATOM 254 O PHE A 19 -8.565 -10.591 4.896 1.00 0.97 O ATOM 255 CB PHE A 19 -7.651 -8.176 3.744 1.00 0.45 C ATOM 256 CG PHE A 19 -7.348 -6.892 3.024 1.00 0.43 C ATOM 257 CD1 PHE A 19 -7.694 -6.729 1.694 1.00 0.42 C ATOM 258 CD2 PHE A 19 -6.701 -5.856 3.674 1.00 0.71 C ATOM 259 CE1 PHE A 19 -7.407 -5.562 1.028 1.00 0.52 C ATOM 260 CE2 PHE A 19 -6.412 -4.678 3.011 1.00 0.75 C ATOM 261 CZ PHE A 19 -6.767 -4.532 1.685 1.00 0.59 C ATOM 0 H PHE A 19 -9.960 -7.035 4.255 1.00 0.39 H new ATOM 0 HA PHE A 19 -9.065 -9.229 2.490 1.00 0.47 H new ATOM 0 HB2 PHE A 19 -7.547 -8.012 4.816 1.00 0.45 H new ATOM 0 HB3 PHE A 19 -6.908 -8.922 3.462 1.00 0.45 H new ATOM 0 HD1 PHE A 19 -8.197 -7.530 1.172 1.00 0.42 H new ATOM 0 HD2 PHE A 19 -6.419 -5.969 4.710 1.00 0.71 H new ATOM 0 HE1 PHE A 19 -7.683 -5.451 -0.010 1.00 0.52 H new ATOM 0 HE2 PHE A 19 -5.910 -3.874 3.529 1.00 0.75 H new ATOM 0 HZ PHE A 19 -6.544 -3.613 1.163 1.00 0.59 H new ATOM 271 N ASP A 20 -10.635 -9.671 5.049 1.00 0.55 N ATOM 272 CA ASP A 20 -11.141 -10.570 6.105 1.00 0.69 C ATOM 273 C ASP A 20 -10.630 -10.158 7.494 1.00 0.72 C ATOM 274 O ASP A 20 -11.124 -10.633 8.517 1.00 1.07 O ATOM 275 CB ASP A 20 -10.776 -12.034 5.802 1.00 0.80 C ATOM 276 CG ASP A 20 -11.199 -12.997 6.895 1.00 1.16 C ATOM 277 OD1 ASP A 20 -12.394 -13.353 6.954 1.00 1.55 O ATOM 278 OD2 ASP A 20 -10.329 -13.410 7.692 1.00 1.28 O ATOM 0 H ASP A 20 -11.315 -8.974 4.746 1.00 0.55 H new ATOM 0 HA ASP A 20 -12.227 -10.482 6.115 1.00 0.69 H new ATOM 0 HB2 ASP A 20 -11.245 -12.331 4.864 1.00 0.80 H new ATOM 0 HB3 ASP A 20 -9.698 -12.110 5.658 1.00 0.80 H new ATOM 283 N GLY A 21 -9.679 -9.235 7.529 1.00 0.57 N ATOM 284 CA GLY A 21 -9.075 -8.833 8.788 1.00 0.59 C ATOM 285 C GLY A 21 -7.560 -8.845 8.734 1.00 0.59 C ATOM 286 O GLY A 21 -6.900 -9.230 9.700 1.00 0.79 O ATOM 0 H GLY A 21 -9.313 -8.755 6.707 1.00 0.57 H new ATOM 0 HA2 GLY A 21 -9.418 -7.832 9.049 1.00 0.59 H new ATOM 0 HA3 GLY A 21 -9.413 -9.502 9.579 1.00 0.59 H new ATOM 290 N VAL A 22 -7.005 -8.439 7.600 1.00 0.51 N ATOM 291 CA VAL A 22 -5.561 -8.309 7.465 1.00 0.53 C ATOM 292 C VAL A 22 -5.183 -6.837 7.539 1.00 0.45 C ATOM 293 O VAL A 22 -5.658 -6.028 6.743 1.00 0.47 O ATOM 294 CB VAL A 22 -5.047 -8.911 6.140 1.00 0.68 C ATOM 295 CG1 VAL A 22 -3.532 -8.790 6.044 1.00 1.02 C ATOM 296 CG2 VAL A 22 -5.479 -10.363 6.010 1.00 1.41 C ATOM 0 H VAL A 22 -7.532 -8.194 6.762 1.00 0.51 H new ATOM 0 HA VAL A 22 -5.095 -8.863 8.280 1.00 0.53 H new ATOM 0 HB VAL A 22 -5.485 -8.348 5.316 1.00 0.68 H new ATOM 0 HG11 VAL A 22 -3.192 -9.221 5.102 1.00 1.02 H new ATOM 0 HG12 VAL A 22 -3.248 -7.739 6.086 1.00 1.02 H new ATOM 0 HG13 VAL A 22 -3.071 -9.324 6.875 1.00 1.02 H new ATOM 0 HG21 VAL A 22 -5.107 -10.770 5.070 1.00 1.41 H new ATOM 0 HG22 VAL A 22 -5.072 -10.939 6.841 1.00 1.41 H new ATOM 0 HG23 VAL A 22 -6.567 -10.422 6.026 1.00 1.41 H new ATOM 306 N LYS A 23 -4.344 -6.493 8.500 1.00 0.48 N ATOM 307 CA LYS A 23 -4.060 -5.099 8.791 1.00 0.52 C ATOM 308 C LYS A 23 -2.615 -4.755 8.464 1.00 0.40 C ATOM 309 O LYS A 23 -2.309 -4.290 7.370 1.00 0.37 O ATOM 310 CB LYS A 23 -4.336 -4.827 10.268 1.00 0.75 C ATOM 311 CG LYS A 23 -5.654 -5.406 10.751 1.00 0.85 C ATOM 312 CD LYS A 23 -5.722 -5.426 12.264 1.00 1.06 C ATOM 313 CE LYS A 23 -5.753 -4.023 12.842 1.00 1.11 C ATOM 314 NZ LYS A 23 -7.135 -3.614 13.209 1.00 2.07 N ATOM 0 H LYS A 23 -3.848 -7.159 9.092 1.00 0.48 H new ATOM 0 HA LYS A 23 -4.704 -4.475 8.171 1.00 0.52 H new ATOM 0 HB2 LYS A 23 -3.524 -5.243 10.864 1.00 0.75 H new ATOM 0 HB3 LYS A 23 -4.337 -3.750 10.438 1.00 0.75 H new ATOM 0 HG2 LYS A 23 -6.480 -4.816 10.355 1.00 0.85 H new ATOM 0 HG3 LYS A 23 -5.772 -6.419 10.366 1.00 0.85 H new ATOM 0 HD2 LYS A 23 -6.611 -5.970 12.581 1.00 1.06 H new ATOM 0 HD3 LYS A 23 -4.861 -5.964 12.660 1.00 1.06 H new ATOM 0 HE2 LYS A 23 -5.113 -3.977 13.723 1.00 1.11 H new ATOM 0 HE3 LYS A 23 -5.345 -3.320 12.115 1.00 1.11 H new ATOM 0 HZ1 LYS A 23 -7.096 -2.796 13.850 1.00 2.07 H new ATOM 0 HZ2 LYS A 23 -7.660 -3.356 12.349 1.00 2.07 H new ATOM 0 HZ3 LYS A 23 -7.616 -4.404 13.684 1.00 2.07 H new ATOM 328 N LYS A 24 -1.735 -4.985 9.426 1.00 0.38 N ATOM 329 CA LYS A 24 -0.318 -4.744 9.242 1.00 0.33 C ATOM 330 C LYS A 24 0.353 -5.920 8.555 1.00 0.34 C ATOM 331 O LYS A 24 0.204 -7.073 8.961 1.00 0.47 O ATOM 332 CB LYS A 24 0.366 -4.478 10.587 1.00 0.43 C ATOM 333 CG LYS A 24 1.879 -4.381 10.474 1.00 0.49 C ATOM 334 CD LYS A 24 2.545 -4.309 11.836 1.00 0.66 C ATOM 335 CE LYS A 24 4.056 -4.363 11.713 1.00 1.04 C ATOM 336 NZ LYS A 24 4.726 -4.247 13.032 1.00 1.59 N ATOM 0 H LYS A 24 -1.983 -5.341 10.349 1.00 0.38 H new ATOM 0 HA LYS A 24 -0.215 -3.863 8.608 1.00 0.33 H new ATOM 0 HB2 LYS A 24 -0.022 -3.551 11.009 1.00 0.43 H new ATOM 0 HB3 LYS A 24 0.109 -5.276 11.283 1.00 0.43 H new ATOM 0 HG2 LYS A 24 2.259 -5.246 9.930 1.00 0.49 H new ATOM 0 HG3 LYS A 24 2.144 -3.497 9.893 1.00 0.49 H new ATOM 0 HD2 LYS A 24 2.251 -3.387 12.339 1.00 0.66 H new ATOM 0 HD3 LYS A 24 2.199 -5.135 12.457 1.00 0.66 H new ATOM 0 HE2 LYS A 24 4.348 -5.300 11.239 1.00 1.04 H new ATOM 0 HE3 LYS A 24 4.396 -3.558 11.062 1.00 1.04 H new ATOM 0 HZ1 LYS A 24 5.757 -4.288 12.902 1.00 1.59 H new ATOM 0 HZ2 LYS A 24 4.469 -3.341 13.474 1.00 1.59 H new ATOM 0 HZ3 LYS A 24 4.422 -5.030 13.646 1.00 1.59 H new ATOM 350 N HIS A 25 1.076 -5.605 7.502 1.00 0.29 N ATOM 351 CA HIS A 25 1.919 -6.556 6.818 1.00 0.34 C ATOM 352 C HIS A 25 3.301 -5.948 6.636 1.00 0.34 C ATOM 353 O HIS A 25 3.462 -4.954 5.925 1.00 0.43 O ATOM 354 CB HIS A 25 1.315 -6.918 5.460 1.00 0.42 C ATOM 355 CG HIS A 25 2.161 -7.870 4.668 1.00 0.69 C ATOM 356 ND1 HIS A 25 2.986 -7.466 3.642 1.00 1.46 N ATOM 357 CD2 HIS A 25 2.316 -9.209 4.768 1.00 1.39 C ATOM 358 CE1 HIS A 25 3.613 -8.517 3.147 1.00 1.58 C ATOM 359 NE2 HIS A 25 3.227 -9.588 3.812 1.00 1.44 N ATOM 0 H HIS A 25 1.094 -4.670 7.094 1.00 0.29 H new ATOM 0 HA HIS A 25 1.997 -7.468 7.410 1.00 0.34 H new ATOM 0 HB2 HIS A 25 0.331 -7.360 5.614 1.00 0.42 H new ATOM 0 HB3 HIS A 25 1.168 -6.006 4.881 1.00 0.42 H new ATOM 0 HD2 HIS A 25 1.816 -9.860 5.470 1.00 1.39 H new ATOM 0 HE1 HIS A 25 4.323 -8.502 2.334 1.00 1.58 H new ATOM 0 HE2 HIS A 25 3.551 -10.540 3.644 1.00 1.44 H new ATOM 368 N GLN A 26 4.286 -6.535 7.281 1.00 0.36 N ATOM 369 CA GLN A 26 5.646 -6.045 7.185 1.00 0.38 C ATOM 370 C GLN A 26 6.311 -6.637 5.953 1.00 0.33 C ATOM 371 O GLN A 26 6.185 -7.832 5.684 1.00 0.47 O ATOM 372 CB GLN A 26 6.430 -6.407 8.449 1.00 0.54 C ATOM 373 CG GLN A 26 7.798 -5.745 8.534 1.00 0.67 C ATOM 374 CD GLN A 26 8.511 -6.052 9.838 1.00 1.12 C ATOM 375 OE1 GLN A 26 7.874 -6.267 10.873 1.00 1.84 O ATOM 376 NE2 GLN A 26 9.835 -6.070 9.803 1.00 1.59 N ATOM 0 H GLN A 26 4.171 -7.354 7.879 1.00 0.36 H new ATOM 0 HA GLN A 26 5.634 -4.959 7.093 1.00 0.38 H new ATOM 0 HB2 GLN A 26 5.844 -6.122 9.323 1.00 0.54 H new ATOM 0 HB3 GLN A 26 6.557 -7.489 8.489 1.00 0.54 H new ATOM 0 HG2 GLN A 26 8.413 -6.081 7.699 1.00 0.67 H new ATOM 0 HG3 GLN A 26 7.683 -4.666 8.432 1.00 0.67 H new ATOM 0 HE21 GLN A 26 10.325 -5.887 8.927 1.00 1.59 H new ATOM 0 HE22 GLN A 26 10.365 -6.267 10.652 1.00 1.59 H new ATOM 385 N VAL A 27 6.988 -5.797 5.193 1.00 0.29 N ATOM 386 CA VAL A 27 7.660 -6.241 3.986 1.00 0.29 C ATOM 387 C VAL A 27 9.051 -5.622 3.896 1.00 0.28 C ATOM 388 O VAL A 27 9.216 -4.402 3.960 1.00 0.31 O ATOM 389 CB VAL A 27 6.821 -5.928 2.720 1.00 0.35 C ATOM 390 CG1 VAL A 27 6.399 -4.466 2.681 1.00 0.44 C ATOM 391 CG2 VAL A 27 7.582 -6.303 1.454 1.00 0.44 C ATOM 0 H VAL A 27 7.087 -4.801 5.391 1.00 0.29 H new ATOM 0 HA VAL A 27 7.769 -7.324 4.038 1.00 0.29 H new ATOM 0 HB VAL A 27 5.917 -6.535 2.767 1.00 0.35 H new ATOM 0 HG11 VAL A 27 5.813 -4.280 1.781 1.00 0.44 H new ATOM 0 HG12 VAL A 27 5.796 -4.238 3.560 1.00 0.44 H new ATOM 0 HG13 VAL A 27 7.285 -3.832 2.674 1.00 0.44 H new ATOM 0 HG21 VAL A 27 6.971 -6.073 0.581 1.00 0.44 H new ATOM 0 HG22 VAL A 27 8.511 -5.735 1.406 1.00 0.44 H new ATOM 0 HG23 VAL A 27 7.809 -7.369 1.468 1.00 0.44 H new ATOM 401 N ALA A 28 10.051 -6.476 3.779 1.00 0.31 N ATOM 402 CA ALA A 28 11.433 -6.036 3.774 1.00 0.33 C ATOM 403 C ALA A 28 12.010 -6.076 2.363 1.00 0.28 C ATOM 404 O ALA A 28 11.777 -7.031 1.618 1.00 0.29 O ATOM 405 CB ALA A 28 12.244 -6.901 4.725 1.00 0.41 C ATOM 0 H ALA A 28 9.930 -7.484 3.686 1.00 0.31 H new ATOM 0 HA ALA A 28 11.480 -5.002 4.115 1.00 0.33 H new ATOM 0 HB1 ALA A 28 13.283 -6.571 4.721 1.00 0.41 H new ATOM 0 HB2 ALA A 28 11.839 -6.812 5.733 1.00 0.41 H new ATOM 0 HB3 ALA A 28 12.193 -7.941 4.404 1.00 0.41 H new ATOM 411 N LEU A 29 12.766 -5.043 2.001 1.00 0.28 N ATOM 412 CA LEU A 29 13.309 -4.930 0.654 1.00 0.28 C ATOM 413 C LEU A 29 14.456 -5.909 0.431 1.00 0.32 C ATOM 414 O LEU A 29 15.176 -6.258 1.366 1.00 0.36 O ATOM 415 CB LEU A 29 13.811 -3.506 0.390 1.00 0.35 C ATOM 416 CG LEU A 29 12.741 -2.415 0.370 1.00 0.38 C ATOM 417 CD1 LEU A 29 13.340 -1.102 -0.095 1.00 1.13 C ATOM 418 CD2 LEU A 29 11.588 -2.815 -0.531 1.00 1.04 C ATOM 0 H LEU A 29 13.015 -4.274 2.622 1.00 0.28 H new ATOM 0 HA LEU A 29 12.502 -5.169 -0.038 1.00 0.28 H new ATOM 0 HB2 LEU A 29 14.546 -3.253 1.154 1.00 0.35 H new ATOM 0 HB3 LEU A 29 14.331 -3.496 -0.568 1.00 0.35 H new ATOM 0 HG LEU A 29 12.359 -2.288 1.383 1.00 0.38 H new ATOM 0 HD11 LEU A 29 12.568 -0.333 -0.105 1.00 1.13 H new ATOM 0 HD12 LEU A 29 14.139 -0.805 0.585 1.00 1.13 H new ATOM 0 HD13 LEU A 29 13.745 -1.222 -1.100 1.00 1.13 H new ATOM 0 HD21 LEU A 29 10.836 -2.026 -0.532 1.00 1.04 H new ATOM 0 HD22 LEU A 29 11.955 -2.968 -1.546 1.00 1.04 H new ATOM 0 HD23 LEU A 29 11.143 -3.739 -0.163 1.00 1.04 H new ATOM 430 N PRO A 30 14.620 -6.382 -0.813 1.00 0.38 N ATOM 431 CA PRO A 30 15.785 -7.154 -1.227 1.00 0.53 C ATOM 432 C PRO A 30 16.959 -6.236 -1.562 1.00 0.76 C ATOM 433 O PRO A 30 16.767 -5.068 -1.902 1.00 1.64 O ATOM 434 CB PRO A 30 15.310 -7.891 -2.491 1.00 0.52 C ATOM 435 CG PRO A 30 13.873 -7.513 -2.674 1.00 0.51 C ATOM 436 CD PRO A 30 13.674 -6.235 -1.916 1.00 0.41 C ATOM 0 HA PRO A 30 16.136 -7.827 -0.445 1.00 0.53 H new ATOM 0 HB2 PRO A 30 15.903 -7.601 -3.358 1.00 0.52 H new ATOM 0 HB3 PRO A 30 15.418 -8.970 -2.378 1.00 0.52 H new ATOM 0 HG2 PRO A 30 13.638 -7.379 -3.730 1.00 0.51 H new ATOM 0 HG3 PRO A 30 13.214 -8.295 -2.297 1.00 0.51 H new ATOM 0 HD2 PRO A 30 13.894 -5.360 -2.528 1.00 0.41 H new ATOM 0 HD3 PRO A 30 12.649 -6.127 -1.562 1.00 0.41 H new ATOM 444 N GLY A 31 18.168 -6.761 -1.477 1.00 0.79 N ATOM 445 CA GLY A 31 19.344 -5.952 -1.720 1.00 0.88 C ATOM 446 C GLY A 31 19.913 -6.148 -3.113 1.00 1.01 C ATOM 447 O GLY A 31 20.914 -6.840 -3.284 1.00 1.64 O ATOM 0 H GLY A 31 18.359 -7.735 -1.244 1.00 0.79 H new ATOM 0 HA2 GLY A 31 19.092 -4.901 -1.580 1.00 0.88 H new ATOM 0 HA3 GLY A 31 20.108 -6.198 -0.982 1.00 0.88 H new ATOM 451 N GLN A 32 19.255 -5.553 -4.108 1.00 1.08 N ATOM 452 CA GLN A 32 19.735 -5.563 -5.488 1.00 1.37 C ATOM 453 C GLN A 32 18.811 -4.734 -6.375 1.00 1.07 C ATOM 454 O GLN A 32 19.250 -3.861 -7.124 1.00 1.59 O ATOM 455 CB GLN A 32 19.848 -6.994 -6.030 1.00 2.00 C ATOM 456 CG GLN A 32 18.580 -7.827 -5.889 1.00 2.66 C ATOM 457 CD GLN A 32 18.719 -9.210 -6.490 1.00 3.34 C ATOM 458 OE1 GLN A 32 19.530 -9.327 -7.530 1.00 3.88 O flip ATOM 459 NE2 GLN A 32 18.093 -10.168 -6.032 1.00 3.82 N flip ATOM 0 H GLN A 32 18.376 -5.052 -3.980 1.00 1.08 H new ATOM 0 HA GLN A 32 20.731 -5.120 -5.499 1.00 1.37 H new ATOM 0 HB2 GLN A 32 20.122 -6.949 -7.084 1.00 2.00 H new ATOM 0 HB3 GLN A 32 20.661 -7.502 -5.511 1.00 2.00 H new ATOM 0 HG2 GLN A 32 18.326 -7.918 -4.833 1.00 2.66 H new ATOM 0 HG3 GLN A 32 17.753 -7.307 -6.372 1.00 2.66 H new ATOM 0 HE21 GLN A 32 17.477 -10.038 -5.229 1.00 3.82 H new ATOM 0 HE22 GLN A 32 18.191 -11.091 -6.456 1.00 3.82 H new ATOM 468 N GLU A 33 17.530 -5.016 -6.265 1.00 0.97 N ATOM 469 CA GLU A 33 16.493 -4.295 -6.963 1.00 0.88 C ATOM 470 C GLU A 33 15.234 -4.468 -6.158 1.00 0.88 C ATOM 471 O GLU A 33 14.750 -5.584 -5.978 1.00 1.63 O ATOM 472 CB GLU A 33 16.271 -4.821 -8.375 1.00 1.23 C ATOM 473 CG GLU A 33 15.256 -4.014 -9.174 1.00 1.72 C ATOM 474 CD GLU A 33 15.048 -4.548 -10.579 1.00 2.31 C ATOM 475 OE1 GLU A 33 14.843 -5.771 -10.735 1.00 2.65 O ATOM 476 OE2 GLU A 33 15.094 -3.751 -11.537 1.00 3.02 O ATOM 0 H GLU A 33 17.176 -5.769 -5.675 1.00 0.97 H new ATOM 0 HA GLU A 33 16.781 -3.248 -7.063 1.00 0.88 H new ATOM 0 HB2 GLU A 33 17.222 -4.821 -8.907 1.00 1.23 H new ATOM 0 HB3 GLU A 33 15.936 -5.857 -8.319 1.00 1.23 H new ATOM 0 HG2 GLU A 33 14.302 -4.015 -8.646 1.00 1.72 H new ATOM 0 HG3 GLU A 33 15.588 -2.977 -9.231 1.00 1.72 H new ATOM 483 N GLU A 34 14.754 -3.379 -5.636 1.00 0.54 N ATOM 484 CA GLU A 34 13.619 -3.393 -4.736 1.00 0.56 C ATOM 485 C GLU A 34 12.316 -3.296 -5.519 1.00 0.48 C ATOM 486 O GLU A 34 11.941 -2.222 -5.979 1.00 0.58 O ATOM 487 CB GLU A 34 13.739 -2.254 -3.714 1.00 0.72 C ATOM 488 CG GLU A 34 15.018 -2.313 -2.874 1.00 0.96 C ATOM 489 CD GLU A 34 16.240 -1.738 -3.569 1.00 1.55 C ATOM 490 OE1 GLU A 34 16.403 -0.498 -3.567 1.00 1.97 O ATOM 491 OE2 GLU A 34 17.051 -2.521 -4.112 1.00 2.31 O ATOM 0 H GLU A 34 15.133 -2.449 -5.817 1.00 0.54 H new ATOM 0 HA GLU A 34 13.612 -4.338 -4.192 1.00 0.56 H new ATOM 0 HB2 GLU A 34 13.704 -1.300 -4.240 1.00 0.72 H new ATOM 0 HB3 GLU A 34 12.876 -2.282 -3.049 1.00 0.72 H new ATOM 0 HG2 GLU A 34 14.854 -1.771 -1.942 1.00 0.96 H new ATOM 0 HG3 GLU A 34 15.218 -3.351 -2.608 1.00 0.96 H new ATOM 498 N PRO A 35 11.616 -4.432 -5.687 1.00 0.41 N ATOM 499 CA PRO A 35 10.388 -4.511 -6.461 1.00 0.40 C ATOM 500 C PRO A 35 9.167 -4.378 -5.573 1.00 0.35 C ATOM 501 O PRO A 35 8.053 -4.721 -5.957 1.00 0.39 O ATOM 502 CB PRO A 35 10.469 -5.921 -7.032 1.00 0.48 C ATOM 503 CG PRO A 35 11.145 -6.721 -5.962 1.00 0.50 C ATOM 504 CD PRO A 35 11.955 -5.750 -5.127 1.00 0.46 C ATOM 0 HA PRO A 35 10.295 -3.723 -7.209 1.00 0.40 H new ATOM 0 HB2 PRO A 35 9.478 -6.316 -7.256 1.00 0.48 H new ATOM 0 HB3 PRO A 35 11.038 -5.941 -7.961 1.00 0.48 H new ATOM 0 HG2 PRO A 35 10.410 -7.239 -5.346 1.00 0.50 H new ATOM 0 HG3 PRO A 35 11.789 -7.484 -6.400 1.00 0.50 H new ATOM 0 HD2 PRO A 35 11.692 -5.815 -4.071 1.00 0.46 H new ATOM 0 HD3 PRO A 35 13.023 -5.953 -5.202 1.00 0.46 H new ATOM 512 N TRP A 36 9.398 -3.888 -4.372 1.00 0.30 N ATOM 513 CA TRP A 36 8.348 -3.762 -3.388 1.00 0.27 C ATOM 514 C TRP A 36 7.738 -2.369 -3.430 1.00 0.24 C ATOM 515 O TRP A 36 7.232 -1.872 -2.423 1.00 0.25 O ATOM 516 CB TRP A 36 8.888 -4.093 -1.987 1.00 0.28 C ATOM 517 CG TRP A 36 9.265 -5.542 -1.817 1.00 0.29 C ATOM 518 CD1 TRP A 36 10.253 -6.039 -1.018 1.00 0.32 C ATOM 519 CD2 TRP A 36 8.664 -6.680 -2.461 1.00 0.31 C ATOM 520 NE1 TRP A 36 10.298 -7.409 -1.117 1.00 0.34 N ATOM 521 CE2 TRP A 36 9.335 -7.824 -1.995 1.00 0.34 C ATOM 522 CE3 TRP A 36 7.625 -6.844 -3.385 1.00 0.35 C ATOM 523 CZ2 TRP A 36 8.997 -9.109 -2.410 1.00 0.38 C ATOM 524 CZ3 TRP A 36 7.294 -8.120 -3.800 1.00 0.41 C ATOM 525 CH2 TRP A 36 7.979 -9.238 -3.313 1.00 0.42 C ATOM 0 H TRP A 36 10.313 -3.569 -4.054 1.00 0.30 H new ATOM 0 HA TRP A 36 7.559 -4.476 -3.624 1.00 0.27 H new ATOM 0 HB2 TRP A 36 9.761 -3.472 -1.787 1.00 0.28 H new ATOM 0 HB3 TRP A 36 8.134 -3.832 -1.244 1.00 0.28 H new ATOM 0 HD1 TRP A 36 10.905 -5.442 -0.398 1.00 0.32 H new ATOM 0 HE1 TRP A 36 10.945 -8.018 -0.616 1.00 0.34 H new ATOM 0 HE3 TRP A 36 7.091 -5.987 -3.767 1.00 0.35 H new ATOM 0 HZ2 TRP A 36 9.521 -9.974 -2.032 1.00 0.38 H new ATOM 0 HZ3 TRP A 36 6.493 -8.256 -4.512 1.00 0.41 H new ATOM 0 HH2 TRP A 36 7.698 -10.222 -3.657 1.00 0.42 H new ATOM 536 N ASP A 37 7.783 -1.746 -4.612 1.00 0.24 N ATOM 537 CA ASP A 37 7.199 -0.424 -4.815 1.00 0.21 C ATOM 538 C ASP A 37 5.715 -0.474 -4.462 1.00 0.21 C ATOM 539 O ASP A 37 5.098 -1.542 -4.515 1.00 0.24 O ATOM 540 CB ASP A 37 7.349 0.049 -6.272 1.00 0.25 C ATOM 541 CG ASP A 37 8.647 -0.381 -6.935 1.00 0.82 C ATOM 542 OD1 ASP A 37 8.883 -1.601 -7.054 1.00 1.59 O ATOM 543 OD2 ASP A 37 9.425 0.498 -7.367 1.00 1.21 O ATOM 0 H ASP A 37 8.221 -2.142 -5.444 1.00 0.24 H new ATOM 0 HA ASP A 37 7.728 0.280 -4.173 1.00 0.21 H new ATOM 0 HB2 ASP A 37 6.512 -0.335 -6.855 1.00 0.25 H new ATOM 0 HB3 ASP A 37 7.284 1.137 -6.298 1.00 0.25 H new ATOM 548 N ILE A 38 5.142 0.676 -4.125 1.00 0.20 N ATOM 549 CA ILE A 38 3.735 0.750 -3.722 1.00 0.20 C ATOM 550 C ILE A 38 2.842 0.120 -4.788 1.00 0.20 C ATOM 551 O ILE A 38 1.859 -0.552 -4.479 1.00 0.23 O ATOM 552 CB ILE A 38 3.297 2.217 -3.470 1.00 0.20 C ATOM 553 CG1 ILE A 38 4.354 2.939 -2.625 1.00 0.20 C ATOM 554 CG2 ILE A 38 1.940 2.263 -2.780 1.00 0.23 C ATOM 555 CD1 ILE A 38 4.652 2.273 -1.297 1.00 0.24 C ATOM 0 H ILE A 38 5.628 1.573 -4.122 1.00 0.20 H new ATOM 0 HA ILE A 38 3.628 0.195 -2.790 1.00 0.20 H new ATOM 0 HB ILE A 38 3.205 2.724 -4.430 1.00 0.20 H new ATOM 0 HG12 ILE A 38 5.278 3.006 -3.200 1.00 0.20 H new ATOM 0 HG13 ILE A 38 4.019 3.959 -2.439 1.00 0.20 H new ATOM 0 HG21 ILE A 38 1.652 3.301 -2.613 1.00 0.23 H new ATOM 0 HG22 ILE A 38 1.195 1.777 -3.410 1.00 0.23 H new ATOM 0 HG23 ILE A 38 2.001 1.745 -1.823 1.00 0.23 H new ATOM 0 HD11 ILE A 38 5.409 2.848 -0.764 1.00 0.24 H new ATOM 0 HD12 ILE A 38 3.742 2.230 -0.699 1.00 0.24 H new ATOM 0 HD13 ILE A 38 5.020 1.262 -1.471 1.00 0.24 H new ATOM 567 N ARG A 39 3.227 0.323 -6.040 1.00 0.19 N ATOM 568 CA ARG A 39 2.546 -0.261 -7.188 1.00 0.20 C ATOM 569 C ARG A 39 2.446 -1.787 -7.070 1.00 0.19 C ATOM 570 O ARG A 39 1.373 -2.362 -7.246 1.00 0.25 O ATOM 571 CB ARG A 39 3.307 0.145 -8.458 1.00 0.31 C ATOM 572 CG ARG A 39 2.782 -0.451 -9.755 1.00 0.99 C ATOM 573 CD ARG A 39 3.364 -1.831 -10.030 1.00 1.11 C ATOM 574 NE ARG A 39 3.259 -2.176 -11.446 1.00 1.63 N ATOM 575 CZ ARG A 39 4.069 -3.026 -12.075 1.00 2.06 C ATOM 576 NH1 ARG A 39 4.978 -3.717 -11.395 1.00 2.03 N ATOM 577 NH2 ARG A 39 3.953 -3.198 -13.384 1.00 2.62 N ATOM 0 H ARG A 39 4.028 0.903 -6.290 1.00 0.19 H new ATOM 0 HA ARG A 39 1.524 0.114 -7.231 1.00 0.20 H new ATOM 0 HB2 ARG A 39 3.284 1.231 -8.542 1.00 0.31 H new ATOM 0 HB3 ARG A 39 4.352 -0.144 -8.343 1.00 0.31 H new ATOM 0 HG2 ARG A 39 1.695 -0.520 -9.708 1.00 0.99 H new ATOM 0 HG3 ARG A 39 3.024 0.215 -10.583 1.00 0.99 H new ATOM 0 HD2 ARG A 39 4.410 -1.855 -9.724 1.00 1.11 H new ATOM 0 HD3 ARG A 39 2.839 -2.576 -9.432 1.00 1.11 H new ATOM 0 HE ARG A 39 2.516 -1.737 -11.989 1.00 1.63 H new ATOM 0 HH11 ARG A 39 5.059 -3.598 -10.385 1.00 2.03 H new ATOM 0 HH12 ARG A 39 5.595 -4.366 -11.883 1.00 2.03 H new ATOM 0 HH21 ARG A 39 3.246 -2.680 -13.906 1.00 2.62 H new ATOM 0 HH22 ARG A 39 4.571 -3.848 -13.870 1.00 2.62 H new ATOM 591 N ASN A 40 3.564 -2.436 -6.760 1.00 0.17 N ATOM 592 CA ASN A 40 3.617 -3.898 -6.726 1.00 0.18 C ATOM 593 C ASN A 40 2.891 -4.442 -5.508 1.00 0.18 C ATOM 594 O ASN A 40 2.223 -5.472 -5.579 1.00 0.22 O ATOM 595 CB ASN A 40 5.067 -4.394 -6.725 1.00 0.22 C ATOM 596 CG ASN A 40 5.766 -4.175 -8.055 1.00 0.40 C ATOM 597 OD1 ASN A 40 5.618 -4.967 -8.982 1.00 0.69 O ATOM 598 ND2 ASN A 40 6.560 -3.119 -8.151 1.00 0.59 N ATOM 0 H ASN A 40 4.445 -1.976 -6.529 1.00 0.17 H new ATOM 0 HA ASN A 40 3.119 -4.264 -7.624 1.00 0.18 H new ATOM 0 HB2 ASN A 40 5.621 -3.880 -5.940 1.00 0.22 H new ATOM 0 HB3 ASN A 40 5.082 -5.457 -6.483 1.00 0.22 H new ATOM 0 HD21 ASN A 40 7.072 -2.943 -9.015 1.00 0.59 H new ATOM 0 HD22 ASN A 40 6.659 -2.482 -7.361 1.00 0.59 H new ATOM 605 N LEU A 41 3.015 -3.742 -4.394 1.00 0.18 N ATOM 606 CA LEU A 41 2.383 -4.170 -3.152 1.00 0.19 C ATOM 607 C LEU A 41 0.882 -4.032 -3.249 1.00 0.19 C ATOM 608 O LEU A 41 0.132 -4.817 -2.673 1.00 0.21 O ATOM 609 CB LEU A 41 2.925 -3.364 -1.976 1.00 0.21 C ATOM 610 CG LEU A 41 4.213 -3.915 -1.374 1.00 0.26 C ATOM 611 CD1 LEU A 41 3.907 -5.153 -0.548 1.00 0.32 C ATOM 612 CD2 LEU A 41 5.205 -4.262 -2.471 1.00 0.29 C ATOM 0 H LEU A 41 3.547 -2.875 -4.321 1.00 0.18 H new ATOM 0 HA LEU A 41 2.619 -5.221 -2.985 1.00 0.19 H new ATOM 0 HB2 LEU A 41 3.101 -2.340 -2.304 1.00 0.21 H new ATOM 0 HB3 LEU A 41 2.163 -3.323 -1.198 1.00 0.21 H new ATOM 0 HG LEU A 41 4.653 -3.152 -0.732 1.00 0.26 H new ATOM 0 HD11 LEU A 41 4.831 -5.543 -0.120 1.00 0.32 H new ATOM 0 HD12 LEU A 41 3.217 -4.893 0.255 1.00 0.32 H new ATOM 0 HD13 LEU A 41 3.454 -5.912 -1.185 1.00 0.32 H new ATOM 0 HD21 LEU A 41 6.119 -4.654 -2.025 1.00 0.29 H new ATOM 0 HD22 LEU A 41 4.771 -5.015 -3.129 1.00 0.29 H new ATOM 0 HD23 LEU A 41 5.438 -3.367 -3.047 1.00 0.29 H new ATOM 624 N LEU A 42 0.460 -3.036 -3.997 1.00 0.19 N ATOM 625 CA LEU A 42 -0.940 -2.844 -4.309 1.00 0.23 C ATOM 626 C LEU A 42 -1.486 -4.069 -5.030 1.00 0.21 C ATOM 627 O LEU A 42 -2.618 -4.492 -4.794 1.00 0.26 O ATOM 628 CB LEU A 42 -1.077 -1.591 -5.166 1.00 0.30 C ATOM 629 CG LEU A 42 -2.455 -1.308 -5.743 1.00 0.47 C ATOM 630 CD1 LEU A 42 -2.628 0.182 -5.883 1.00 0.91 C ATOM 631 CD2 LEU A 42 -2.620 -1.973 -7.101 1.00 0.82 C ATOM 0 H LEU A 42 1.078 -2.336 -4.407 1.00 0.19 H new ATOM 0 HA LEU A 42 -1.519 -2.716 -3.394 1.00 0.23 H new ATOM 0 HB2 LEU A 42 -0.777 -0.733 -4.565 1.00 0.30 H new ATOM 0 HB3 LEU A 42 -0.370 -1.665 -5.992 1.00 0.30 H new ATOM 0 HG LEU A 42 -3.212 -1.713 -5.071 1.00 0.47 H new ATOM 0 HD11 LEU A 42 -3.614 0.397 -6.296 1.00 0.91 H new ATOM 0 HD12 LEU A 42 -2.535 0.653 -4.904 1.00 0.91 H new ATOM 0 HD13 LEU A 42 -1.861 0.576 -6.550 1.00 0.91 H new ATOM 0 HD21 LEU A 42 -3.613 -1.756 -7.494 1.00 0.82 H new ATOM 0 HD22 LEU A 42 -1.866 -1.589 -7.788 1.00 0.82 H new ATOM 0 HD23 LEU A 42 -2.499 -3.051 -6.995 1.00 0.82 H new ATOM 643 N VAL A 43 -0.666 -4.639 -5.900 1.00 0.20 N ATOM 644 CA VAL A 43 -1.035 -5.843 -6.625 1.00 0.22 C ATOM 645 C VAL A 43 -1.135 -7.014 -5.668 1.00 0.22 C ATOM 646 O VAL A 43 -2.101 -7.776 -5.705 1.00 0.24 O ATOM 647 CB VAL A 43 -0.015 -6.183 -7.723 1.00 0.27 C ATOM 648 CG1 VAL A 43 -0.439 -7.436 -8.472 1.00 0.31 C ATOM 649 CG2 VAL A 43 0.162 -5.010 -8.672 1.00 0.32 C ATOM 0 H VAL A 43 0.264 -4.284 -6.121 1.00 0.20 H new ATOM 0 HA VAL A 43 -2.000 -5.656 -7.096 1.00 0.22 H new ATOM 0 HB VAL A 43 0.949 -6.380 -7.253 1.00 0.27 H new ATOM 0 HG11 VAL A 43 0.294 -7.663 -9.246 1.00 0.31 H new ATOM 0 HG12 VAL A 43 -0.502 -8.272 -7.776 1.00 0.31 H new ATOM 0 HG13 VAL A 43 -1.414 -7.273 -8.932 1.00 0.31 H new ATOM 0 HG21 VAL A 43 0.888 -5.271 -9.442 1.00 0.32 H new ATOM 0 HG22 VAL A 43 -0.794 -4.773 -9.140 1.00 0.32 H new ATOM 0 HG23 VAL A 43 0.519 -4.143 -8.116 1.00 0.32 H new ATOM 659 N TRP A 44 -0.135 -7.139 -4.805 1.00 0.23 N ATOM 660 CA TRP A 44 -0.119 -8.182 -3.793 1.00 0.27 C ATOM 661 C TRP A 44 -1.390 -8.103 -2.950 1.00 0.28 C ATOM 662 O TRP A 44 -2.036 -9.117 -2.679 1.00 0.33 O ATOM 663 CB TRP A 44 1.121 -8.034 -2.899 1.00 0.31 C ATOM 664 CG TRP A 44 1.258 -9.119 -1.870 1.00 0.41 C ATOM 665 CD1 TRP A 44 0.720 -9.133 -0.615 1.00 0.45 C ATOM 666 CD2 TRP A 44 1.983 -10.346 -2.009 1.00 0.54 C ATOM 667 NE1 TRP A 44 1.060 -10.298 0.030 1.00 0.56 N ATOM 668 CE2 TRP A 44 1.834 -11.057 -0.802 1.00 0.61 C ATOM 669 CE3 TRP A 44 2.737 -10.913 -3.035 1.00 0.65 C ATOM 670 CZ2 TRP A 44 2.416 -12.305 -0.597 1.00 0.76 C ATOM 671 CZ3 TRP A 44 3.314 -12.151 -2.830 1.00 0.81 C ATOM 672 CH2 TRP A 44 3.150 -12.836 -1.620 1.00 0.85 C ATOM 0 H TRP A 44 0.680 -6.526 -4.788 1.00 0.23 H new ATOM 0 HA TRP A 44 -0.079 -9.154 -4.285 1.00 0.27 H new ATOM 0 HB2 TRP A 44 2.012 -8.027 -3.527 1.00 0.31 H new ATOM 0 HB3 TRP A 44 1.080 -7.069 -2.393 1.00 0.31 H new ATOM 0 HD1 TRP A 44 0.116 -8.344 -0.191 1.00 0.45 H new ATOM 0 HE1 TRP A 44 0.780 -10.555 0.977 1.00 0.56 H new ATOM 0 HE3 TRP A 44 2.868 -10.394 -3.973 1.00 0.65 H new ATOM 0 HZ2 TRP A 44 2.292 -12.834 0.336 1.00 0.76 H new ATOM 0 HZ3 TRP A 44 3.902 -12.599 -3.617 1.00 0.81 H new ATOM 0 HH2 TRP A 44 3.613 -13.803 -1.493 1.00 0.85 H new ATOM 683 N ILE A 45 -1.756 -6.886 -2.571 1.00 0.26 N ATOM 684 CA ILE A 45 -2.940 -6.666 -1.757 1.00 0.29 C ATOM 685 C ILE A 45 -4.210 -6.951 -2.559 1.00 0.31 C ATOM 686 O ILE A 45 -5.132 -7.594 -2.069 1.00 0.37 O ATOM 687 CB ILE A 45 -2.979 -5.225 -1.204 1.00 0.31 C ATOM 688 CG1 ILE A 45 -1.811 -4.992 -0.243 1.00 0.36 C ATOM 689 CG2 ILE A 45 -4.300 -4.951 -0.504 1.00 0.36 C ATOM 690 CD1 ILE A 45 -1.729 -3.571 0.275 1.00 0.47 C ATOM 0 H ILE A 45 -1.248 -6.036 -2.815 1.00 0.26 H new ATOM 0 HA ILE A 45 -2.892 -7.356 -0.915 1.00 0.29 H new ATOM 0 HB ILE A 45 -2.886 -4.535 -2.043 1.00 0.31 H new ATOM 0 HG12 ILE A 45 -1.905 -5.674 0.602 1.00 0.36 H new ATOM 0 HG13 ILE A 45 -0.879 -5.240 -0.750 1.00 0.36 H new ATOM 0 HG21 ILE A 45 -4.305 -3.930 -0.123 1.00 0.36 H new ATOM 0 HG22 ILE A 45 -5.120 -5.078 -1.211 1.00 0.36 H new ATOM 0 HG23 ILE A 45 -4.424 -5.648 0.324 1.00 0.36 H new ATOM 0 HD11 ILE A 45 -0.878 -3.478 0.950 1.00 0.47 H new ATOM 0 HD12 ILE A 45 -1.604 -2.885 -0.563 1.00 0.47 H new ATOM 0 HD13 ILE A 45 -2.646 -3.326 0.811 1.00 0.47 H new ATOM 702 N LYS A 46 -4.242 -6.487 -3.798 1.00 0.29 N ATOM 703 CA LYS A 46 -5.410 -6.678 -4.648 1.00 0.35 C ATOM 704 C LYS A 46 -5.628 -8.156 -4.961 1.00 0.39 C ATOM 705 O LYS A 46 -6.678 -8.714 -4.645 1.00 0.44 O ATOM 706 CB LYS A 46 -5.254 -5.879 -5.950 1.00 0.39 C ATOM 707 CG LYS A 46 -6.381 -6.100 -6.951 1.00 0.91 C ATOM 708 CD LYS A 46 -6.102 -5.393 -8.271 1.00 0.91 C ATOM 709 CE LYS A 46 -6.300 -3.888 -8.169 1.00 1.26 C ATOM 710 NZ LYS A 46 -7.737 -3.521 -8.033 1.00 1.93 N ATOM 0 H LYS A 46 -3.476 -5.977 -4.238 1.00 0.29 H new ATOM 0 HA LYS A 46 -6.284 -6.314 -4.108 1.00 0.35 H new ATOM 0 HB2 LYS A 46 -5.199 -4.817 -5.709 1.00 0.39 H new ATOM 0 HB3 LYS A 46 -4.308 -6.149 -6.419 1.00 0.39 H new ATOM 0 HG2 LYS A 46 -6.507 -7.168 -7.129 1.00 0.91 H new ATOM 0 HG3 LYS A 46 -7.318 -5.734 -6.532 1.00 0.91 H new ATOM 0 HD2 LYS A 46 -5.079 -5.603 -8.585 1.00 0.91 H new ATOM 0 HD3 LYS A 46 -6.760 -5.793 -9.042 1.00 0.91 H new ATOM 0 HE2 LYS A 46 -5.746 -3.507 -7.311 1.00 1.26 H new ATOM 0 HE3 LYS A 46 -5.886 -3.407 -9.055 1.00 1.26 H new ATOM 0 HZ1 LYS A 46 -7.820 -2.642 -7.483 1.00 1.93 H new ATOM 0 HZ2 LYS A 46 -8.150 -3.380 -8.977 1.00 1.93 H new ATOM 0 HZ3 LYS A 46 -8.246 -4.285 -7.543 1.00 1.93 H new ATOM 724 N LYS A 47 -4.608 -8.791 -5.525 1.00 0.41 N ATOM 725 CA LYS A 47 -4.743 -10.142 -6.073 1.00 0.52 C ATOM 726 C LYS A 47 -4.871 -11.204 -4.984 1.00 0.57 C ATOM 727 O LYS A 47 -5.416 -12.281 -5.228 1.00 0.78 O ATOM 728 CB LYS A 47 -3.549 -10.486 -6.975 1.00 0.65 C ATOM 729 CG LYS A 47 -3.361 -9.550 -8.165 1.00 1.31 C ATOM 730 CD LYS A 47 -4.643 -9.387 -8.962 1.00 1.66 C ATOM 731 CE LYS A 47 -4.408 -8.672 -10.283 1.00 2.33 C ATOM 732 NZ LYS A 47 -3.556 -9.463 -11.210 1.00 2.96 N ATOM 0 H LYS A 47 -3.673 -8.393 -5.617 1.00 0.41 H new ATOM 0 HA LYS A 47 -5.663 -10.145 -6.658 1.00 0.52 H new ATOM 0 HB2 LYS A 47 -2.640 -10.474 -6.373 1.00 0.65 H new ATOM 0 HB3 LYS A 47 -3.672 -11.504 -7.346 1.00 0.65 H new ATOM 0 HG2 LYS A 47 -3.027 -8.575 -7.811 1.00 1.31 H new ATOM 0 HG3 LYS A 47 -2.577 -9.940 -8.814 1.00 1.31 H new ATOM 0 HD2 LYS A 47 -5.077 -10.368 -9.154 1.00 1.66 H new ATOM 0 HD3 LYS A 47 -5.368 -8.827 -8.371 1.00 1.66 H new ATOM 0 HE2 LYS A 47 -5.367 -8.469 -10.759 1.00 2.33 H new ATOM 0 HE3 LYS A 47 -3.936 -7.708 -10.093 1.00 2.33 H new ATOM 0 HZ1 LYS A 47 -3.642 -9.080 -12.173 1.00 2.96 H new ATOM 0 HZ2 LYS A 47 -2.564 -9.407 -10.903 1.00 2.96 H new ATOM 0 HZ3 LYS A 47 -3.865 -10.456 -11.204 1.00 2.96 H new ATOM 746 N ASN A 48 -4.372 -10.918 -3.792 1.00 0.50 N ATOM 747 CA ASN A 48 -4.379 -11.915 -2.727 1.00 0.58 C ATOM 748 C ASN A 48 -5.312 -11.521 -1.592 1.00 0.58 C ATOM 749 O ASN A 48 -6.173 -12.304 -1.191 1.00 0.77 O ATOM 750 CB ASN A 48 -2.967 -12.142 -2.176 1.00 0.61 C ATOM 751 CG ASN A 48 -1.987 -12.576 -3.251 1.00 1.41 C ATOM 752 OD1 ASN A 48 -1.881 -13.759 -3.569 1.00 2.21 O ATOM 753 ND2 ASN A 48 -1.252 -11.620 -3.801 1.00 2.09 N ATOM 0 H ASN A 48 -3.962 -10.019 -3.537 1.00 0.50 H new ATOM 0 HA ASN A 48 -4.745 -12.843 -3.166 1.00 0.58 H new ATOM 0 HB2 ASN A 48 -2.609 -11.223 -1.712 1.00 0.61 H new ATOM 0 HB3 ASN A 48 -3.003 -12.900 -1.394 1.00 0.61 H new ATOM 0 HD21 ASN A 48 -0.565 -11.853 -4.518 1.00 2.09 H new ATOM 0 HD22 ASN A 48 -1.373 -10.651 -3.507 1.00 2.09 H new ATOM 760 N LEU A 49 -5.156 -10.308 -1.086 1.00 0.42 N ATOM 761 CA LEU A 49 -5.895 -9.883 0.097 1.00 0.44 C ATOM 762 C LEU A 49 -7.354 -9.563 -0.203 1.00 0.39 C ATOM 763 O LEU A 49 -8.228 -9.880 0.603 1.00 0.39 O ATOM 764 CB LEU A 49 -5.234 -8.671 0.753 1.00 0.50 C ATOM 765 CG LEU A 49 -3.987 -8.955 1.595 1.00 0.57 C ATOM 766 CD1 LEU A 49 -3.671 -7.756 2.472 1.00 1.32 C ATOM 767 CD2 LEU A 49 -4.172 -10.203 2.447 1.00 1.10 C ATOM 0 H LEU A 49 -4.529 -9.602 -1.472 1.00 0.42 H new ATOM 0 HA LEU A 49 -5.873 -10.728 0.785 1.00 0.44 H new ATOM 0 HB2 LEU A 49 -4.965 -7.962 -0.030 1.00 0.50 H new ATOM 0 HB3 LEU A 49 -5.972 -8.180 1.388 1.00 0.50 H new ATOM 0 HG LEU A 49 -3.150 -9.133 0.920 1.00 0.57 H new ATOM 0 HD11 LEU A 49 -2.783 -7.965 3.068 1.00 1.32 H new ATOM 0 HD12 LEU A 49 -3.489 -6.884 1.844 1.00 1.32 H new ATOM 0 HD13 LEU A 49 -4.514 -7.557 3.134 1.00 1.32 H new ATOM 0 HD21 LEU A 49 -3.271 -10.380 3.034 1.00 1.10 H new ATOM 0 HD22 LEU A 49 -5.020 -10.063 3.117 1.00 1.10 H new ATOM 0 HD23 LEU A 49 -4.358 -11.061 1.800 1.00 1.10 H new ATOM 779 N LEU A 50 -7.626 -8.935 -1.340 1.00 0.39 N ATOM 780 CA LEU A 50 -8.980 -8.490 -1.631 1.00 0.39 C ATOM 781 C LEU A 50 -9.896 -9.692 -1.849 1.00 0.41 C ATOM 782 O LEU A 50 -9.775 -10.414 -2.838 1.00 0.50 O ATOM 783 CB LEU A 50 -8.982 -7.564 -2.848 1.00 0.47 C ATOM 784 CG LEU A 50 -10.059 -6.473 -2.840 1.00 0.44 C ATOM 785 CD1 LEU A 50 -11.452 -7.074 -2.828 1.00 0.51 C ATOM 786 CD2 LEU A 50 -9.873 -5.563 -1.637 1.00 0.62 C ATOM 0 H LEU A 50 -6.939 -8.726 -2.064 1.00 0.39 H new ATOM 0 HA LEU A 50 -9.360 -7.927 -0.779 1.00 0.39 H new ATOM 0 HB2 LEU A 50 -8.005 -7.086 -2.922 1.00 0.47 H new ATOM 0 HB3 LEU A 50 -9.109 -8.170 -3.745 1.00 0.47 H new ATOM 0 HG LEU A 50 -9.952 -5.888 -3.753 1.00 0.44 H new ATOM 0 HD11 LEU A 50 -12.193 -6.275 -2.823 1.00 0.51 H new ATOM 0 HD12 LEU A 50 -11.590 -7.691 -3.716 1.00 0.51 H new ATOM 0 HD13 LEU A 50 -11.575 -7.689 -1.937 1.00 0.51 H new ATOM 0 HD21 LEU A 50 -10.643 -4.792 -1.642 1.00 0.62 H new ATOM 0 HD22 LEU A 50 -9.952 -6.149 -0.722 1.00 0.62 H new ATOM 0 HD23 LEU A 50 -8.890 -5.094 -1.684 1.00 0.62 H new ATOM 798 N LYS A 51 -10.802 -9.908 -0.903 1.00 0.40 N ATOM 799 CA LYS A 51 -11.670 -11.074 -0.915 1.00 0.47 C ATOM 800 C LYS A 51 -13.021 -10.800 -1.582 1.00 0.52 C ATOM 801 O LYS A 51 -13.677 -11.725 -2.061 1.00 0.63 O ATOM 802 CB LYS A 51 -11.887 -11.545 0.522 1.00 0.52 C ATOM 803 CG LYS A 51 -10.598 -11.930 1.237 1.00 0.57 C ATOM 804 CD LYS A 51 -10.027 -13.236 0.703 1.00 1.08 C ATOM 805 CE LYS A 51 -10.971 -14.403 0.954 1.00 1.81 C ATOM 806 NZ LYS A 51 -10.421 -15.688 0.450 1.00 2.26 N ATOM 0 H LYS A 51 -10.954 -9.283 -0.111 1.00 0.40 H new ATOM 0 HA LYS A 51 -11.179 -11.848 -1.505 1.00 0.47 H new ATOM 0 HB2 LYS A 51 -12.383 -10.754 1.084 1.00 0.52 H new ATOM 0 HB3 LYS A 51 -12.560 -12.402 0.517 1.00 0.52 H new ATOM 0 HG2 LYS A 51 -9.863 -11.135 1.115 1.00 0.57 H new ATOM 0 HG3 LYS A 51 -10.789 -12.026 2.306 1.00 0.57 H new ATOM 0 HD2 LYS A 51 -9.840 -13.142 -0.367 1.00 1.08 H new ATOM 0 HD3 LYS A 51 -9.066 -13.435 1.178 1.00 1.08 H new ATOM 0 HE2 LYS A 51 -11.165 -14.487 2.023 1.00 1.81 H new ATOM 0 HE3 LYS A 51 -11.928 -14.205 0.471 1.00 1.81 H new ATOM 0 HZ1 LYS A 51 -11.097 -16.454 0.642 1.00 2.26 H new ATOM 0 HZ2 LYS A 51 -10.259 -15.618 -0.575 1.00 2.26 H new ATOM 0 HZ3 LYS A 51 -9.521 -15.892 0.929 1.00 2.26 H new ATOM 820 N GLU A 52 -13.442 -9.541 -1.616 1.00 0.52 N ATOM 821 CA GLU A 52 -14.766 -9.212 -2.140 1.00 0.59 C ATOM 822 C GLU A 52 -14.713 -8.628 -3.560 1.00 0.58 C ATOM 823 O GLU A 52 -14.698 -9.371 -4.544 1.00 0.72 O ATOM 824 CB GLU A 52 -15.507 -8.265 -1.193 1.00 0.66 C ATOM 825 CG GLU A 52 -14.669 -7.103 -0.681 1.00 0.64 C ATOM 826 CD GLU A 52 -15.520 -6.038 -0.027 1.00 0.90 C ATOM 827 OE1 GLU A 52 -15.855 -6.184 1.165 1.00 1.16 O ATOM 828 OE2 GLU A 52 -15.880 -5.060 -0.713 1.00 1.15 O ATOM 0 H GLU A 52 -12.897 -8.741 -1.293 1.00 0.52 H new ATOM 0 HA GLU A 52 -15.319 -10.149 -2.204 1.00 0.59 H new ATOM 0 HB2 GLU A 52 -16.381 -7.867 -1.708 1.00 0.66 H new ATOM 0 HB3 GLU A 52 -15.872 -8.837 -0.340 1.00 0.66 H new ATOM 0 HG2 GLU A 52 -13.936 -7.473 0.036 1.00 0.64 H new ATOM 0 HG3 GLU A 52 -14.112 -6.665 -1.509 1.00 0.64 H new ATOM 835 N ARG A 53 -14.694 -7.304 -3.669 1.00 0.65 N ATOM 836 CA ARG A 53 -14.697 -6.643 -4.967 1.00 0.68 C ATOM 837 C ARG A 53 -13.550 -5.651 -5.072 1.00 0.59 C ATOM 838 O ARG A 53 -13.567 -4.600 -4.433 1.00 0.65 O ATOM 839 CB ARG A 53 -16.024 -5.919 -5.205 1.00 0.87 C ATOM 840 CG ARG A 53 -17.214 -6.851 -5.338 1.00 1.34 C ATOM 841 CD ARG A 53 -17.019 -7.837 -6.474 1.00 1.78 C ATOM 842 NE ARG A 53 -18.185 -8.688 -6.671 1.00 2.46 N ATOM 843 CZ ARG A 53 -18.167 -10.013 -6.557 1.00 3.32 C ATOM 844 NH1 ARG A 53 -17.066 -10.638 -6.152 1.00 3.80 N ATOM 845 NH2 ARG A 53 -19.258 -10.716 -6.823 1.00 4.10 N ATOM 0 H ARG A 53 -14.676 -6.667 -2.872 1.00 0.65 H new ATOM 0 HA ARG A 53 -14.571 -7.412 -5.729 1.00 0.68 H new ATOM 0 HB2 ARG A 53 -16.204 -5.230 -4.380 1.00 0.87 H new ATOM 0 HB3 ARG A 53 -15.942 -5.318 -6.110 1.00 0.87 H new ATOM 0 HG2 ARG A 53 -17.360 -7.394 -4.404 1.00 1.34 H new ATOM 0 HG3 ARG A 53 -18.118 -6.267 -5.512 1.00 1.34 H new ATOM 0 HD2 ARG A 53 -16.810 -7.292 -7.394 1.00 1.78 H new ATOM 0 HD3 ARG A 53 -16.148 -8.459 -6.267 1.00 1.78 H new ATOM 0 HE ARG A 53 -19.069 -8.240 -6.911 1.00 2.46 H new ATOM 0 HH11 ARG A 53 -16.228 -10.101 -5.927 1.00 3.80 H new ATOM 0 HH12 ARG A 53 -17.059 -11.654 -6.067 1.00 3.80 H new ATOM 0 HH21 ARG A 53 -20.112 -10.241 -7.115 1.00 4.10 H new ATOM 0 HH22 ARG A 53 -19.244 -11.732 -6.736 1.00 4.10 H new ATOM 859 N PRO A 54 -12.533 -5.976 -5.882 1.00 0.55 N ATOM 860 CA PRO A 54 -11.366 -5.110 -6.082 1.00 0.53 C ATOM 861 C PRO A 54 -11.725 -3.786 -6.757 1.00 0.57 C ATOM 862 O PRO A 54 -10.930 -2.848 -6.759 1.00 0.59 O ATOM 863 CB PRO A 54 -10.442 -5.939 -6.984 1.00 0.61 C ATOM 864 CG PRO A 54 -10.946 -7.339 -6.890 1.00 0.68 C ATOM 865 CD PRO A 54 -12.423 -7.226 -6.652 1.00 0.65 C ATOM 0 HA PRO A 54 -10.911 -4.829 -5.132 1.00 0.53 H new ATOM 0 HB2 PRO A 54 -10.471 -5.579 -8.013 1.00 0.61 H new ATOM 0 HB3 PRO A 54 -9.406 -5.872 -6.652 1.00 0.61 H new ATOM 0 HG2 PRO A 54 -10.739 -7.892 -7.806 1.00 0.68 H new ATOM 0 HG3 PRO A 54 -10.459 -7.876 -6.076 1.00 0.68 H new ATOM 0 HD2 PRO A 54 -12.981 -7.176 -7.587 1.00 0.65 H new ATOM 0 HD3 PRO A 54 -12.810 -8.080 -6.095 1.00 0.65 H new ATOM 873 N GLU A 55 -12.930 -3.714 -7.317 1.00 0.64 N ATOM 874 CA GLU A 55 -13.400 -2.498 -7.971 1.00 0.75 C ATOM 875 C GLU A 55 -13.798 -1.469 -6.919 1.00 0.69 C ATOM 876 O GLU A 55 -13.717 -0.262 -7.144 1.00 0.80 O ATOM 877 CB GLU A 55 -14.594 -2.796 -8.882 1.00 0.92 C ATOM 878 CG GLU A 55 -14.390 -3.993 -9.801 1.00 1.39 C ATOM 879 CD GLU A 55 -13.072 -3.959 -10.548 1.00 1.89 C ATOM 880 OE1 GLU A 55 -12.891 -3.052 -11.388 1.00 2.27 O ATOM 881 OE2 GLU A 55 -12.209 -4.822 -10.291 1.00 2.43 O ATOM 0 H GLU A 55 -13.598 -4.484 -7.330 1.00 0.64 H new ATOM 0 HA GLU A 55 -12.591 -2.100 -8.583 1.00 0.75 H new ATOM 0 HB2 GLU A 55 -15.474 -2.972 -8.264 1.00 0.92 H new ATOM 0 HB3 GLU A 55 -14.802 -1.916 -9.490 1.00 0.92 H new ATOM 0 HG2 GLU A 55 -14.441 -4.908 -9.211 1.00 1.39 H new ATOM 0 HG3 GLU A 55 -15.207 -4.032 -10.522 1.00 1.39 H new ATOM 888 N LEU A 56 -14.210 -1.968 -5.757 1.00 0.64 N ATOM 889 CA LEU A 56 -14.550 -1.119 -4.620 1.00 0.68 C ATOM 890 C LEU A 56 -13.285 -0.790 -3.849 1.00 0.59 C ATOM 891 O LEU A 56 -13.315 -0.187 -2.777 1.00 0.69 O ATOM 892 CB LEU A 56 -15.560 -1.820 -3.700 1.00 0.81 C ATOM 893 CG LEU A 56 -17.022 -1.784 -4.163 1.00 1.09 C ATOM 894 CD1 LEU A 56 -17.518 -0.350 -4.216 1.00 1.86 C ATOM 895 CD2 LEU A 56 -17.190 -2.454 -5.519 1.00 2.05 C ATOM 0 H LEU A 56 -14.317 -2.966 -5.578 1.00 0.64 H new ATOM 0 HA LEU A 56 -15.007 -0.200 -4.987 1.00 0.68 H new ATOM 0 HB2 LEU A 56 -15.259 -2.862 -3.589 1.00 0.81 H new ATOM 0 HB3 LEU A 56 -15.500 -1.364 -2.712 1.00 0.81 H new ATOM 0 HG LEU A 56 -17.619 -2.340 -3.441 1.00 1.09 H new ATOM 0 HD11 LEU A 56 -18.557 -0.336 -4.546 1.00 1.86 H new ATOM 0 HD12 LEU A 56 -17.446 0.097 -3.224 1.00 1.86 H new ATOM 0 HD13 LEU A 56 -16.908 0.221 -4.916 1.00 1.86 H new ATOM 0 HD21 LEU A 56 -18.237 -2.412 -5.819 1.00 2.05 H new ATOM 0 HD22 LEU A 56 -16.580 -1.936 -6.259 1.00 2.05 H new ATOM 0 HD23 LEU A 56 -16.874 -3.495 -5.452 1.00 2.05 H new ATOM 907 N PHE A 57 -12.174 -1.150 -4.452 1.00 0.47 N ATOM 908 CA PHE A 57 -10.882 -1.040 -3.857 1.00 0.41 C ATOM 909 C PHE A 57 -10.019 -0.271 -4.842 1.00 0.37 C ATOM 910 O PHE A 57 -10.541 0.384 -5.743 1.00 0.37 O ATOM 911 CB PHE A 57 -10.339 -2.445 -3.524 1.00 0.38 C ATOM 912 CG PHE A 57 -8.990 -2.465 -2.846 1.00 0.35 C ATOM 913 CD1 PHE A 57 -8.799 -1.814 -1.636 1.00 0.35 C ATOM 914 CD2 PHE A 57 -7.916 -3.132 -3.417 1.00 0.37 C ATOM 915 CE1 PHE A 57 -7.567 -1.828 -1.013 1.00 0.36 C ATOM 916 CE2 PHE A 57 -6.682 -3.147 -2.798 1.00 0.38 C ATOM 917 CZ PHE A 57 -6.504 -2.510 -1.601 1.00 0.35 C ATOM 0 H PHE A 57 -12.155 -1.537 -5.396 1.00 0.47 H new ATOM 0 HA PHE A 57 -10.898 -0.503 -2.909 1.00 0.41 H new ATOM 0 HB2 PHE A 57 -11.059 -2.953 -2.882 1.00 0.38 H new ATOM 0 HB3 PHE A 57 -10.273 -3.021 -4.447 1.00 0.38 H new ATOM 0 HD1 PHE A 57 -9.624 -1.290 -1.176 1.00 0.35 H new ATOM 0 HD2 PHE A 57 -8.047 -3.646 -4.358 1.00 0.37 H new ATOM 0 HE1 PHE A 57 -7.428 -1.313 -0.074 1.00 0.36 H new ATOM 0 HE2 PHE A 57 -5.854 -3.664 -3.261 1.00 0.38 H new ATOM 0 HZ PHE A 57 -5.541 -2.536 -1.112 1.00 0.35 H new ATOM 927 N ILE A 58 -8.732 -0.343 -4.684 1.00 0.36 N ATOM 928 CA ILE A 58 -7.835 0.546 -5.365 1.00 0.36 C ATOM 929 C ILE A 58 -7.614 0.173 -6.832 1.00 0.30 C ATOM 930 O ILE A 58 -7.840 -0.958 -7.262 1.00 0.30 O ATOM 931 CB ILE A 58 -6.491 0.511 -4.663 1.00 0.45 C ATOM 932 CG1 ILE A 58 -6.646 0.794 -3.176 1.00 0.51 C ATOM 933 CG2 ILE A 58 -5.548 1.494 -5.280 1.00 0.97 C ATOM 934 CD1 ILE A 58 -6.920 2.246 -2.865 1.00 0.90 C ATOM 0 H ILE A 58 -8.271 -1.021 -4.078 1.00 0.36 H new ATOM 0 HA ILE A 58 -8.288 1.537 -5.341 1.00 0.36 H new ATOM 0 HB ILE A 58 -6.078 -0.491 -4.781 1.00 0.45 H new ATOM 0 HG12 ILE A 58 -7.460 0.186 -2.781 1.00 0.51 H new ATOM 0 HG13 ILE A 58 -5.738 0.485 -2.659 1.00 0.51 H new ATOM 0 HG21 ILE A 58 -4.590 1.453 -4.762 1.00 0.97 H new ATOM 0 HG22 ILE A 58 -5.403 1.248 -6.332 1.00 0.97 H new ATOM 0 HG23 ILE A 58 -5.963 2.498 -5.196 1.00 0.97 H new ATOM 0 HD11 ILE A 58 -7.019 2.375 -1.787 1.00 0.90 H new ATOM 0 HD12 ILE A 58 -6.095 2.858 -3.229 1.00 0.90 H new ATOM 0 HD13 ILE A 58 -7.844 2.555 -3.354 1.00 0.90 H new ATOM 946 N GLN A 59 -7.151 1.174 -7.555 1.00 0.31 N ATOM 947 CA GLN A 59 -6.740 1.078 -8.946 1.00 0.30 C ATOM 948 C GLN A 59 -5.446 0.281 -9.019 1.00 0.27 C ATOM 949 O GLN A 59 -4.677 0.296 -8.066 1.00 0.29 O ATOM 950 CB GLN A 59 -6.512 2.486 -9.516 1.00 0.39 C ATOM 951 CG GLN A 59 -5.372 3.245 -8.836 1.00 0.56 C ATOM 952 CD GLN A 59 -5.140 4.625 -9.426 1.00 0.60 C ATOM 953 OE1 GLN A 59 -3.922 5.146 -9.295 1.00 1.35 O flip ATOM 954 NE2 GLN A 59 -6.059 5.236 -9.967 1.00 0.58 N flip ATOM 0 H GLN A 59 -7.046 2.115 -7.176 1.00 0.31 H new ATOM 0 HA GLN A 59 -7.516 0.581 -9.529 1.00 0.30 H new ATOM 0 HB2 GLN A 59 -6.300 2.407 -10.582 1.00 0.39 H new ATOM 0 HB3 GLN A 59 -7.432 3.063 -9.416 1.00 0.39 H new ATOM 0 HG2 GLN A 59 -5.592 3.343 -7.773 1.00 0.56 H new ATOM 0 HG3 GLN A 59 -4.455 2.662 -8.919 1.00 0.56 H new ATOM 0 HE21 GLN A 59 -6.980 4.804 -10.049 1.00 0.58 H new ATOM 0 HE22 GLN A 59 -5.901 6.175 -10.334 1.00 0.58 H new ATOM 963 N GLY A 60 -5.222 -0.442 -10.105 1.00 0.32 N ATOM 964 CA GLY A 60 -3.977 -1.181 -10.261 1.00 0.38 C ATOM 965 C GLY A 60 -2.763 -0.274 -10.453 1.00 0.37 C ATOM 966 O GLY A 60 -1.967 -0.482 -11.367 1.00 0.55 O ATOM 0 H GLY A 60 -5.876 -0.533 -10.883 1.00 0.32 H new ATOM 0 HA2 GLY A 60 -3.820 -1.807 -9.383 1.00 0.38 H new ATOM 0 HA3 GLY A 60 -4.063 -1.850 -11.118 1.00 0.38 H new ATOM 970 N ASP A 61 -2.627 0.724 -9.583 1.00 0.40 N ATOM 971 CA ASP A 61 -1.535 1.689 -9.653 1.00 0.46 C ATOM 972 C ASP A 61 -1.132 2.133 -8.250 1.00 0.44 C ATOM 973 O ASP A 61 -0.097 1.717 -7.732 1.00 0.54 O ATOM 974 CB ASP A 61 -1.935 2.926 -10.472 1.00 0.55 C ATOM 975 CG ASP A 61 -2.247 2.621 -11.924 1.00 0.81 C ATOM 976 OD1 ASP A 61 -1.302 2.506 -12.731 1.00 1.06 O ATOM 977 OD2 ASP A 61 -3.442 2.512 -12.272 1.00 0.96 O ATOM 0 H ASP A 61 -3.272 0.886 -8.809 1.00 0.40 H new ATOM 0 HA ASP A 61 -0.694 1.198 -10.144 1.00 0.46 H new ATOM 0 HB2 ASP A 61 -2.808 3.389 -10.012 1.00 0.55 H new ATOM 0 HB3 ASP A 61 -1.127 3.656 -10.429 1.00 0.55 H new ATOM 982 N SER A 62 -1.970 2.963 -7.626 1.00 0.40 N ATOM 983 CA SER A 62 -1.664 3.535 -6.318 1.00 0.46 C ATOM 984 C SER A 62 -2.887 3.553 -5.400 1.00 0.47 C ATOM 985 O SER A 62 -2.938 2.811 -4.423 1.00 0.70 O ATOM 986 CB SER A 62 -1.125 4.946 -6.492 1.00 0.53 C ATOM 987 OG SER A 62 -1.883 5.664 -7.448 1.00 0.80 O ATOM 0 H SER A 62 -2.869 3.254 -8.009 1.00 0.40 H new ATOM 0 HA SER A 62 -0.911 2.904 -5.846 1.00 0.46 H new ATOM 0 HB2 SER A 62 -1.149 5.469 -5.536 1.00 0.53 H new ATOM 0 HB3 SER A 62 -0.082 4.905 -6.806 1.00 0.53 H new ATOM 0 HG SER A 62 -1.332 6.377 -7.834 1.00 0.80 H new ATOM 993 N VAL A 63 -3.856 4.419 -5.705 1.00 0.38 N ATOM 994 CA VAL A 63 -5.116 4.482 -4.954 1.00 0.37 C ATOM 995 C VAL A 63 -6.261 4.950 -5.832 1.00 0.40 C ATOM 996 O VAL A 63 -6.065 5.718 -6.772 1.00 0.52 O ATOM 997 CB VAL A 63 -5.068 5.443 -3.748 1.00 0.53 C ATOM 998 CG1 VAL A 63 -4.149 4.941 -2.659 1.00 0.83 C ATOM 999 CG2 VAL A 63 -4.665 6.831 -4.186 1.00 0.78 C ATOM 0 H VAL A 63 -3.793 5.090 -6.470 1.00 0.38 H new ATOM 0 HA VAL A 63 -5.270 3.463 -4.600 1.00 0.37 H new ATOM 0 HB VAL A 63 -6.074 5.486 -3.330 1.00 0.53 H new ATOM 0 HG11 VAL A 63 -4.146 5.649 -1.830 1.00 0.83 H new ATOM 0 HG12 VAL A 63 -4.499 3.971 -2.306 1.00 0.83 H new ATOM 0 HG13 VAL A 63 -3.138 4.841 -3.054 1.00 0.83 H new ATOM 0 HG21 VAL A 63 -4.638 7.492 -3.320 1.00 0.78 H new ATOM 0 HG22 VAL A 63 -3.678 6.795 -4.646 1.00 0.78 H new ATOM 0 HG23 VAL A 63 -5.389 7.209 -4.908 1.00 0.78 H new ATOM 1009 N ARG A 64 -7.458 4.467 -5.531 1.00 0.36 N ATOM 1010 CA ARG A 64 -8.657 5.114 -6.020 1.00 0.40 C ATOM 1011 C ARG A 64 -8.861 6.342 -5.142 1.00 0.40 C ATOM 1012 O ARG A 64 -8.522 6.290 -3.961 1.00 0.40 O ATOM 1013 CB ARG A 64 -9.885 4.181 -5.949 1.00 0.41 C ATOM 1014 CG ARG A 64 -10.329 3.823 -4.534 1.00 0.36 C ATOM 1015 CD ARG A 64 -11.641 3.043 -4.525 1.00 0.45 C ATOM 1016 NE ARG A 64 -12.751 3.802 -5.104 1.00 1.05 N ATOM 1017 CZ ARG A 64 -14.024 3.393 -5.088 1.00 1.39 C ATOM 1018 NH1 ARG A 64 -14.361 2.274 -4.454 1.00 1.63 N ATOM 1019 NH2 ARG A 64 -14.965 4.117 -5.683 1.00 2.05 N ATOM 0 H ARG A 64 -7.620 3.639 -4.957 1.00 0.36 H new ATOM 0 HA ARG A 64 -8.546 5.382 -7.071 1.00 0.40 H new ATOM 0 HB2 ARG A 64 -10.717 4.657 -6.467 1.00 0.41 H new ATOM 0 HB3 ARG A 64 -9.658 3.261 -6.488 1.00 0.41 H new ATOM 0 HG2 ARG A 64 -9.552 3.231 -4.049 1.00 0.36 H new ATOM 0 HG3 ARG A 64 -10.446 4.735 -3.949 1.00 0.36 H new ATOM 0 HD2 ARG A 64 -11.511 2.115 -5.081 1.00 0.45 H new ATOM 0 HD3 ARG A 64 -11.889 2.768 -3.500 1.00 0.45 H new ATOM 0 HE ARG A 64 -12.541 4.697 -5.546 1.00 1.05 H new ATOM 0 HH11 ARG A 64 -13.647 1.723 -3.977 1.00 1.63 H new ATOM 0 HH12 ARG A 64 -15.333 1.966 -4.445 1.00 1.63 H new ATOM 0 HH21 ARG A 64 -14.717 4.987 -6.154 1.00 2.05 H new ATOM 0 HH22 ARG A 64 -15.935 3.803 -5.669 1.00 2.05 H new ATOM 1033 N PRO A 65 -9.373 7.456 -5.688 1.00 0.49 N ATOM 1034 CA PRO A 65 -9.582 8.698 -4.925 1.00 0.53 C ATOM 1035 C PRO A 65 -10.273 8.467 -3.580 1.00 0.44 C ATOM 1036 O PRO A 65 -10.129 9.257 -2.648 1.00 0.51 O ATOM 1037 CB PRO A 65 -10.482 9.530 -5.829 1.00 0.65 C ATOM 1038 CG PRO A 65 -10.246 9.022 -7.211 1.00 0.72 C ATOM 1039 CD PRO A 65 -9.764 7.599 -7.099 1.00 0.61 C ATOM 0 HA PRO A 65 -8.631 9.171 -4.680 1.00 0.53 H new ATOM 0 HB2 PRO A 65 -11.529 9.422 -5.546 1.00 0.65 H new ATOM 0 HB3 PRO A 65 -10.239 10.590 -5.755 1.00 0.65 H new ATOM 0 HG2 PRO A 65 -11.163 9.070 -7.798 1.00 0.72 H new ATOM 0 HG3 PRO A 65 -9.507 9.637 -7.724 1.00 0.72 H new ATOM 0 HD2 PRO A 65 -10.548 6.891 -7.368 1.00 0.61 H new ATOM 0 HD3 PRO A 65 -8.923 7.411 -7.766 1.00 0.61 H new ATOM 1047 N GLY A 66 -11.030 7.381 -3.502 1.00 0.35 N ATOM 1048 CA GLY A 66 -11.729 7.031 -2.289 1.00 0.32 C ATOM 1049 C GLY A 66 -10.810 6.656 -1.133 1.00 0.25 C ATOM 1050 O GLY A 66 -11.153 6.874 0.027 1.00 0.27 O ATOM 0 H GLY A 66 -11.171 6.729 -4.273 1.00 0.35 H new ATOM 0 HA2 GLY A 66 -12.354 7.871 -1.986 1.00 0.32 H new ATOM 0 HA3 GLY A 66 -12.397 6.195 -2.495 1.00 0.32 H new ATOM 1054 N ILE A 67 -9.656 6.067 -1.428 1.00 0.28 N ATOM 1055 CA ILE A 67 -8.715 5.700 -0.384 1.00 0.23 C ATOM 1056 C ILE A 67 -7.476 6.584 -0.428 1.00 0.24 C ATOM 1057 O ILE A 67 -6.896 6.815 -1.486 1.00 0.32 O ATOM 1058 CB ILE A 67 -8.302 4.226 -0.517 1.00 0.25 C ATOM 1059 CG1 ILE A 67 -9.554 3.350 -0.541 1.00 0.32 C ATOM 1060 CG2 ILE A 67 -7.363 3.810 0.609 1.00 0.21 C ATOM 1061 CD1 ILE A 67 -9.265 1.866 -0.584 1.00 0.34 C ATOM 0 H ILE A 67 -9.354 5.836 -2.375 1.00 0.28 H new ATOM 0 HA ILE A 67 -9.214 5.845 0.574 1.00 0.23 H new ATOM 0 HB ILE A 67 -7.757 4.095 -1.452 1.00 0.25 H new ATOM 0 HG12 ILE A 67 -10.154 3.567 0.342 1.00 0.32 H new ATOM 0 HG13 ILE A 67 -10.156 3.618 -1.409 1.00 0.32 H new ATOM 0 HG21 ILE A 67 -7.089 2.762 0.486 1.00 0.21 H new ATOM 0 HG22 ILE A 67 -6.464 4.426 0.579 1.00 0.21 H new ATOM 0 HG23 ILE A 67 -7.863 3.944 1.568 1.00 0.21 H new ATOM 0 HD11 ILE A 67 -10.204 1.313 -0.599 1.00 0.34 H new ATOM 0 HD12 ILE A 67 -8.692 1.633 -1.481 1.00 0.34 H new ATOM 0 HD13 ILE A 67 -8.690 1.582 0.297 1.00 0.34 H new ATOM 1073 N LEU A 68 -7.083 7.073 0.733 1.00 0.23 N ATOM 1074 CA LEU A 68 -5.900 7.905 0.859 1.00 0.29 C ATOM 1075 C LEU A 68 -4.767 7.074 1.448 1.00 0.28 C ATOM 1076 O LEU A 68 -4.987 6.288 2.364 1.00 0.41 O ATOM 1077 CB LEU A 68 -6.190 9.105 1.765 1.00 0.37 C ATOM 1078 CG LEU A 68 -7.474 9.879 1.449 1.00 0.40 C ATOM 1079 CD1 LEU A 68 -7.634 11.046 2.407 1.00 0.50 C ATOM 1080 CD2 LEU A 68 -7.475 10.368 0.008 1.00 0.44 C ATOM 0 H LEU A 68 -7.572 6.906 1.612 1.00 0.23 H new ATOM 0 HA LEU A 68 -5.612 8.275 -0.125 1.00 0.29 H new ATOM 0 HB2 LEU A 68 -6.243 8.755 2.796 1.00 0.37 H new ATOM 0 HB3 LEU A 68 -5.348 9.794 1.705 1.00 0.37 H new ATOM 0 HG LEU A 68 -8.320 9.203 1.576 1.00 0.40 H new ATOM 0 HD11 LEU A 68 -8.550 11.587 2.171 1.00 0.50 H new ATOM 0 HD12 LEU A 68 -7.686 10.673 3.430 1.00 0.50 H new ATOM 0 HD13 LEU A 68 -6.781 11.717 2.309 1.00 0.50 H new ATOM 0 HD21 LEU A 68 -8.397 10.914 -0.190 1.00 0.44 H new ATOM 0 HD22 LEU A 68 -6.621 11.026 -0.153 1.00 0.44 H new ATOM 0 HD23 LEU A 68 -7.407 9.514 -0.666 1.00 0.44 H new ATOM 1092 N VAL A 69 -3.565 7.231 0.922 1.00 0.25 N ATOM 1093 CA VAL A 69 -2.435 6.455 1.402 1.00 0.27 C ATOM 1094 C VAL A 69 -1.364 7.337 2.017 1.00 0.19 C ATOM 1095 O VAL A 69 -0.915 8.313 1.422 1.00 0.21 O ATOM 1096 CB VAL A 69 -1.825 5.581 0.283 1.00 0.44 C ATOM 1097 CG1 VAL A 69 -0.392 5.173 0.603 1.00 1.05 C ATOM 1098 CG2 VAL A 69 -2.673 4.344 0.082 1.00 0.81 C ATOM 0 H VAL A 69 -3.347 7.883 0.169 1.00 0.25 H new ATOM 0 HA VAL A 69 -2.821 5.796 2.180 1.00 0.27 H new ATOM 0 HB VAL A 69 -1.808 6.174 -0.631 1.00 0.44 H new ATOM 0 HG11 VAL A 69 0.001 4.560 -0.208 1.00 1.05 H new ATOM 0 HG12 VAL A 69 0.224 6.065 0.715 1.00 1.05 H new ATOM 0 HG13 VAL A 69 -0.375 4.602 1.531 1.00 1.05 H new ATOM 0 HG21 VAL A 69 -2.240 3.730 -0.708 1.00 0.81 H new ATOM 0 HG22 VAL A 69 -2.707 3.772 1.009 1.00 0.81 H new ATOM 0 HG23 VAL A 69 -3.684 4.638 -0.200 1.00 0.81 H new ATOM 1108 N LEU A 70 -0.973 6.991 3.224 1.00 0.18 N ATOM 1109 CA LEU A 70 0.147 7.638 3.860 1.00 0.16 C ATOM 1110 C LEU A 70 1.425 6.947 3.444 1.00 0.15 C ATOM 1111 O LEU A 70 1.590 5.751 3.666 1.00 0.19 O ATOM 1112 CB LEU A 70 0.028 7.602 5.386 1.00 0.22 C ATOM 1113 CG LEU A 70 -1.119 8.413 5.985 1.00 0.36 C ATOM 1114 CD1 LEU A 70 -1.055 8.368 7.505 1.00 0.95 C ATOM 1115 CD2 LEU A 70 -1.074 9.853 5.494 1.00 0.90 C ATOM 0 H LEU A 70 -1.417 6.263 3.784 1.00 0.18 H new ATOM 0 HA LEU A 70 0.157 8.682 3.545 1.00 0.16 H new ATOM 0 HB2 LEU A 70 -0.085 6.564 5.698 1.00 0.22 H new ATOM 0 HB3 LEU A 70 0.964 7.963 5.813 1.00 0.22 H new ATOM 0 HG LEU A 70 -2.061 7.972 5.660 1.00 0.36 H new ATOM 0 HD11 LEU A 70 -1.878 8.950 7.921 1.00 0.95 H new ATOM 0 HD12 LEU A 70 -1.134 7.334 7.842 1.00 0.95 H new ATOM 0 HD13 LEU A 70 -0.107 8.788 7.842 1.00 0.95 H new ATOM 0 HD21 LEU A 70 -1.900 10.413 5.933 1.00 0.90 H new ATOM 0 HD22 LEU A 70 -0.129 10.309 5.789 1.00 0.90 H new ATOM 0 HD23 LEU A 70 -1.161 9.870 4.408 1.00 0.90 H new ATOM 1127 N ILE A 71 2.295 7.686 2.790 1.00 0.14 N ATOM 1128 CA ILE A 71 3.652 7.231 2.588 1.00 0.17 C ATOM 1129 C ILE A 71 4.457 7.706 3.763 1.00 0.20 C ATOM 1130 O ILE A 71 4.567 8.919 3.972 1.00 0.24 O ATOM 1131 CB ILE A 71 4.297 7.779 1.302 1.00 0.20 C ATOM 1132 CG1 ILE A 71 3.536 7.280 0.068 1.00 0.18 C ATOM 1133 CG2 ILE A 71 5.772 7.377 1.250 1.00 0.28 C ATOM 1134 CD1 ILE A 71 3.564 5.781 -0.114 1.00 0.20 C ATOM 0 H ILE A 71 2.087 8.601 2.391 1.00 0.14 H new ATOM 0 HA ILE A 71 3.634 6.145 2.492 1.00 0.17 H new ATOM 0 HB ILE A 71 4.241 8.868 1.306 1.00 0.20 H new ATOM 0 HG12 ILE A 71 2.498 7.607 0.139 1.00 0.18 H new ATOM 0 HG13 ILE A 71 3.959 7.750 -0.820 1.00 0.18 H new ATOM 0 HG21 ILE A 71 6.224 7.767 0.338 1.00 0.28 H new ATOM 0 HG22 ILE A 71 6.292 7.787 2.116 1.00 0.28 H new ATOM 0 HG23 ILE A 71 5.853 6.290 1.259 1.00 0.28 H new ATOM 0 HD11 ILE A 71 3.003 5.513 -1.009 1.00 0.20 H new ATOM 0 HD12 ILE A 71 4.596 5.446 -0.219 1.00 0.20 H new ATOM 0 HD13 ILE A 71 3.113 5.301 0.754 1.00 0.20 H new ATOM 1146 N ASN A 72 4.944 6.763 4.561 1.00 0.22 N ATOM 1147 CA ASN A 72 5.727 7.075 5.754 1.00 0.28 C ATOM 1148 C ASN A 72 4.787 7.528 6.853 1.00 0.27 C ATOM 1149 O ASN A 72 4.670 6.885 7.895 1.00 0.31 O ATOM 1150 CB ASN A 72 6.761 8.171 5.471 1.00 0.41 C ATOM 1151 CG ASN A 72 7.927 8.145 6.423 1.00 1.04 C ATOM 1152 OD1 ASN A 72 7.901 8.747 7.497 1.00 1.94 O ATOM 1153 ND2 ASN A 72 8.963 7.446 6.019 1.00 1.33 N ATOM 0 H ASN A 72 4.809 5.765 4.402 1.00 0.22 H new ATOM 0 HA ASN A 72 6.266 6.180 6.063 1.00 0.28 H new ATOM 0 HB2 ASN A 72 7.130 8.059 4.451 1.00 0.41 H new ATOM 0 HB3 ASN A 72 6.274 9.145 5.529 1.00 0.41 H new ATOM 0 HD21 ASN A 72 9.796 7.384 6.604 1.00 1.33 H new ATOM 0 HD22 ASN A 72 8.935 6.965 5.120 1.00 1.33 H new ATOM 1160 N ASP A 73 4.129 8.645 6.574 1.00 0.26 N ATOM 1161 CA ASP A 73 3.096 9.225 7.422 1.00 0.29 C ATOM 1162 C ASP A 73 2.547 10.476 6.730 1.00 0.28 C ATOM 1163 O ASP A 73 1.962 11.353 7.357 1.00 0.36 O ATOM 1164 CB ASP A 73 3.674 9.572 8.799 1.00 0.36 C ATOM 1165 CG ASP A 73 2.621 10.000 9.802 1.00 0.62 C ATOM 1166 OD1 ASP A 73 1.809 9.147 10.218 1.00 1.03 O ATOM 1167 OD2 ASP A 73 2.581 11.199 10.156 1.00 0.65 O ATOM 0 H ASP A 73 4.304 9.188 5.728 1.00 0.26 H new ATOM 0 HA ASP A 73 2.288 8.509 7.573 1.00 0.29 H new ATOM 0 HB2 ASP A 73 4.207 8.705 9.190 1.00 0.36 H new ATOM 0 HB3 ASP A 73 4.405 10.372 8.687 1.00 0.36 H new ATOM 1172 N ALA A 74 2.709 10.533 5.407 1.00 0.27 N ATOM 1173 CA ALA A 74 2.389 11.739 4.647 1.00 0.29 C ATOM 1174 C ALA A 74 1.605 11.413 3.380 1.00 0.25 C ATOM 1175 O ALA A 74 1.309 10.254 3.105 1.00 0.20 O ATOM 1176 CB ALA A 74 3.664 12.490 4.301 1.00 0.33 C ATOM 0 H ALA A 74 3.059 9.759 4.842 1.00 0.27 H new ATOM 0 HA ALA A 74 1.758 12.371 5.271 1.00 0.29 H new ATOM 0 HB1 ALA A 74 3.415 13.387 3.735 1.00 0.33 H new ATOM 0 HB2 ALA A 74 4.181 12.772 5.218 1.00 0.33 H new ATOM 0 HB3 ALA A 74 4.312 11.850 3.701 1.00 0.33 H new ATOM 1182 N ASP A 75 1.286 12.443 2.606 1.00 0.30 N ATOM 1183 CA ASP A 75 0.455 12.288 1.414 1.00 0.29 C ATOM 1184 C ASP A 75 1.207 11.599 0.283 1.00 0.23 C ATOM 1185 O ASP A 75 2.135 12.160 -0.297 1.00 0.24 O ATOM 1186 CB ASP A 75 -0.053 13.647 0.939 1.00 0.36 C ATOM 1187 CG ASP A 75 -1.039 14.267 1.905 1.00 0.47 C ATOM 1188 OD1 ASP A 75 -0.602 14.825 2.931 1.00 0.62 O ATOM 1189 OD2 ASP A 75 -2.260 14.180 1.653 1.00 0.61 O ATOM 0 H ASP A 75 1.591 13.400 2.782 1.00 0.30 H new ATOM 0 HA ASP A 75 -0.390 11.658 1.690 1.00 0.29 H new ATOM 0 HB2 ASP A 75 0.793 14.321 0.806 1.00 0.36 H new ATOM 0 HB3 ASP A 75 -0.527 13.534 -0.036 1.00 0.36 H new ATOM 1194 N TRP A 76 0.780 10.384 -0.026 1.00 0.21 N ATOM 1195 CA TRP A 76 1.375 9.571 -1.081 1.00 0.17 C ATOM 1196 C TRP A 76 1.543 10.338 -2.396 1.00 0.16 C ATOM 1197 O TRP A 76 2.621 10.322 -2.991 1.00 0.14 O ATOM 1198 CB TRP A 76 0.502 8.327 -1.312 1.00 0.20 C ATOM 1199 CG TRP A 76 -0.807 8.612 -2.010 1.00 0.22 C ATOM 1200 CD1 TRP A 76 -1.169 8.161 -3.243 1.00 0.28 C ATOM 1201 CD2 TRP A 76 -1.908 9.424 -1.547 1.00 0.25 C ATOM 1202 NE1 TRP A 76 -2.402 8.643 -3.581 1.00 0.33 N ATOM 1203 CE2 TRP A 76 -2.884 9.406 -2.557 1.00 0.30 C ATOM 1204 CE3 TRP A 76 -2.168 10.157 -0.385 1.00 0.27 C ATOM 1205 CZ2 TRP A 76 -4.091 10.085 -2.443 1.00 0.34 C ATOM 1206 CZ3 TRP A 76 -3.365 10.832 -0.274 1.00 0.32 C ATOM 1207 CH2 TRP A 76 -4.314 10.790 -1.296 1.00 0.34 C ATOM 0 H TRP A 76 0.003 9.928 0.452 1.00 0.21 H new ATOM 0 HA TRP A 76 2.374 9.284 -0.752 1.00 0.17 H new ATOM 0 HB2 TRP A 76 1.066 7.605 -1.902 1.00 0.20 H new ATOM 0 HB3 TRP A 76 0.294 7.859 -0.350 1.00 0.20 H new ATOM 0 HD1 TRP A 76 -0.567 7.515 -3.865 1.00 0.28 H new ATOM 0 HE1 TRP A 76 -2.886 8.461 -4.460 1.00 0.33 H new ATOM 0 HE3 TRP A 76 -1.442 10.194 0.414 1.00 0.27 H new ATOM 0 HZ2 TRP A 76 -4.826 10.056 -3.234 1.00 0.34 H new ATOM 0 HZ3 TRP A 76 -3.572 11.403 0.619 1.00 0.32 H new ATOM 0 HH2 TRP A 76 -5.244 11.326 -1.177 1.00 0.34 H new ATOM 1218 N GLU A 77 0.490 11.026 -2.826 1.00 0.19 N ATOM 1219 CA GLU A 77 0.443 11.617 -4.156 1.00 0.21 C ATOM 1220 C GLU A 77 1.469 12.736 -4.304 1.00 0.21 C ATOM 1221 O GLU A 77 1.980 12.984 -5.395 1.00 0.27 O ATOM 1222 CB GLU A 77 -0.967 12.140 -4.452 1.00 0.28 C ATOM 1223 CG GLU A 77 -1.528 13.054 -3.369 1.00 0.49 C ATOM 1224 CD GLU A 77 -2.868 13.651 -3.750 1.00 0.52 C ATOM 1225 OE1 GLU A 77 -2.894 14.558 -4.607 1.00 0.82 O ATOM 1226 OE2 GLU A 77 -3.899 13.221 -3.200 1.00 0.74 O ATOM 0 H GLU A 77 -0.347 11.188 -2.267 1.00 0.19 H new ATOM 0 HA GLU A 77 0.693 10.841 -4.879 1.00 0.21 H new ATOM 0 HB2 GLU A 77 -0.952 12.681 -5.398 1.00 0.28 H new ATOM 0 HB3 GLU A 77 -1.639 11.291 -4.581 1.00 0.28 H new ATOM 0 HG2 GLU A 77 -1.635 12.490 -2.442 1.00 0.49 H new ATOM 0 HG3 GLU A 77 -0.818 13.858 -3.173 1.00 0.49 H new ATOM 1233 N LEU A 78 1.781 13.397 -3.198 1.00 0.24 N ATOM 1234 CA LEU A 78 2.745 14.485 -3.210 1.00 0.29 C ATOM 1235 C LEU A 78 4.159 13.928 -3.124 1.00 0.25 C ATOM 1236 O LEU A 78 5.129 14.591 -3.492 1.00 0.35 O ATOM 1237 CB LEU A 78 2.497 15.433 -2.032 1.00 0.47 C ATOM 1238 CG LEU A 78 1.078 15.998 -1.931 1.00 0.55 C ATOM 1239 CD1 LEU A 78 0.950 16.900 -0.715 1.00 1.12 C ATOM 1240 CD2 LEU A 78 0.712 16.758 -3.193 1.00 1.00 C ATOM 0 H LEU A 78 1.380 13.198 -2.282 1.00 0.24 H new ATOM 0 HA LEU A 78 2.629 15.039 -4.142 1.00 0.29 H new ATOM 0 HB2 LEU A 78 2.726 14.903 -1.107 1.00 0.47 H new ATOM 0 HB3 LEU A 78 3.197 16.265 -2.104 1.00 0.47 H new ATOM 0 HG LEU A 78 0.386 15.164 -1.819 1.00 0.55 H new ATOM 0 HD11 LEU A 78 -0.065 17.293 -0.659 1.00 1.12 H new ATOM 0 HD12 LEU A 78 1.168 16.328 0.187 1.00 1.12 H new ATOM 0 HD13 LEU A 78 1.655 17.727 -0.800 1.00 1.12 H new ATOM 0 HD21 LEU A 78 -0.300 17.151 -3.100 1.00 1.00 H new ATOM 0 HD22 LEU A 78 1.410 17.583 -3.336 1.00 1.00 H new ATOM 0 HD23 LEU A 78 0.763 16.086 -4.050 1.00 1.00 H new ATOM 1252 N LEU A 79 4.268 12.697 -2.650 1.00 0.20 N ATOM 1253 CA LEU A 79 5.565 12.104 -2.373 1.00 0.20 C ATOM 1254 C LEU A 79 6.049 11.194 -3.508 1.00 0.20 C ATOM 1255 O LEU A 79 7.251 11.104 -3.754 1.00 0.22 O ATOM 1256 CB LEU A 79 5.503 11.328 -1.054 1.00 0.22 C ATOM 1257 CG LEU A 79 5.870 12.127 0.205 1.00 0.38 C ATOM 1258 CD1 LEU A 79 4.909 13.283 0.429 1.00 0.79 C ATOM 1259 CD2 LEU A 79 5.892 11.217 1.422 1.00 0.75 C ATOM 0 H LEU A 79 3.473 12.090 -2.449 1.00 0.20 H new ATOM 0 HA LEU A 79 6.289 12.915 -2.291 1.00 0.20 H new ATOM 0 HB2 LEU A 79 4.494 10.935 -0.932 1.00 0.22 H new ATOM 0 HB3 LEU A 79 6.172 10.471 -1.126 1.00 0.22 H new ATOM 0 HG LEU A 79 6.866 12.544 0.056 1.00 0.38 H new ATOM 0 HD11 LEU A 79 5.198 13.827 1.328 1.00 0.79 H new ATOM 0 HD12 LEU A 79 4.942 13.955 -0.428 1.00 0.79 H new ATOM 0 HD13 LEU A 79 3.897 12.897 0.548 1.00 0.79 H new ATOM 0 HD21 LEU A 79 6.154 11.798 2.306 1.00 0.75 H new ATOM 0 HD22 LEU A 79 4.907 10.770 1.560 1.00 0.75 H new ATOM 0 HD23 LEU A 79 6.631 10.429 1.274 1.00 0.75 H new ATOM 1271 N GLY A 80 5.127 10.555 -4.219 1.00 0.20 N ATOM 1272 CA GLY A 80 5.526 9.686 -5.321 1.00 0.22 C ATOM 1273 C GLY A 80 4.628 8.470 -5.466 1.00 0.19 C ATOM 1274 O GLY A 80 4.611 7.827 -6.514 1.00 0.22 O ATOM 0 H GLY A 80 4.122 10.618 -4.059 1.00 0.20 H new ATOM 0 HA2 GLY A 80 5.512 10.255 -6.250 1.00 0.22 H new ATOM 0 HA3 GLY A 80 6.553 9.357 -5.165 1.00 0.22 H new ATOM 1278 N GLU A 81 3.896 8.165 -4.393 1.00 0.17 N ATOM 1279 CA GLU A 81 2.879 7.105 -4.357 1.00 0.20 C ATOM 1280 C GLU A 81 3.301 5.801 -5.064 1.00 0.16 C ATOM 1281 O GLU A 81 4.281 5.172 -4.670 1.00 0.17 O ATOM 1282 CB GLU A 81 1.529 7.626 -4.887 1.00 0.33 C ATOM 1283 CG GLU A 81 1.607 8.416 -6.179 1.00 0.48 C ATOM 1284 CD GLU A 81 0.249 8.613 -6.823 1.00 0.38 C ATOM 1285 OE1 GLU A 81 -0.200 7.723 -7.569 1.00 0.58 O ATOM 1286 OE2 GLU A 81 -0.374 9.667 -6.585 1.00 0.41 O ATOM 0 H GLU A 81 3.993 8.657 -3.505 1.00 0.17 H new ATOM 0 HA GLU A 81 2.765 6.834 -3.308 1.00 0.20 H new ATOM 0 HB2 GLU A 81 0.863 6.776 -5.038 1.00 0.33 H new ATOM 0 HB3 GLU A 81 1.074 8.255 -4.122 1.00 0.33 H new ATOM 0 HG2 GLU A 81 2.055 9.389 -5.979 1.00 0.48 H new ATOM 0 HG3 GLU A 81 2.265 7.899 -6.878 1.00 0.48 H new ATOM 1293 N LEU A 82 2.545 5.413 -6.091 1.00 0.16 N ATOM 1294 CA LEU A 82 2.667 4.108 -6.755 1.00 0.18 C ATOM 1295 C LEU A 82 4.115 3.720 -7.092 1.00 0.16 C ATOM 1296 O LEU A 82 4.588 2.657 -6.682 1.00 0.20 O ATOM 1297 CB LEU A 82 1.810 4.077 -8.036 1.00 0.24 C ATOM 1298 CG LEU A 82 2.309 4.902 -9.234 1.00 0.28 C ATOM 1299 CD1 LEU A 82 1.419 4.666 -10.442 1.00 1.06 C ATOM 1300 CD2 LEU A 82 2.360 6.385 -8.904 1.00 1.19 C ATOM 0 H LEU A 82 1.818 6.004 -6.494 1.00 0.16 H new ATOM 0 HA LEU A 82 2.304 3.371 -6.039 1.00 0.18 H new ATOM 0 HB2 LEU A 82 1.717 3.039 -8.356 1.00 0.24 H new ATOM 0 HB3 LEU A 82 0.808 4.423 -7.781 1.00 0.24 H new ATOM 0 HG LEU A 82 3.322 4.574 -9.466 1.00 0.28 H new ATOM 0 HD11 LEU A 82 1.783 5.256 -11.283 1.00 1.06 H new ATOM 0 HD12 LEU A 82 1.437 3.609 -10.706 1.00 1.06 H new ATOM 0 HD13 LEU A 82 0.398 4.964 -10.205 1.00 1.06 H new ATOM 0 HD21 LEU A 82 2.717 6.939 -9.772 1.00 1.19 H new ATOM 0 HD22 LEU A 82 1.362 6.733 -8.637 1.00 1.19 H new ATOM 0 HD23 LEU A 82 3.038 6.548 -8.066 1.00 1.19 H new ATOM 1312 N ASP A 83 4.828 4.588 -7.799 1.00 0.20 N ATOM 1313 CA ASP A 83 6.160 4.254 -8.292 1.00 0.24 C ATOM 1314 C ASP A 83 7.219 4.695 -7.304 1.00 0.26 C ATOM 1315 O ASP A 83 8.121 5.469 -7.629 1.00 0.56 O ATOM 1316 CB ASP A 83 6.420 4.896 -9.661 1.00 0.34 C ATOM 1317 CG ASP A 83 5.577 4.289 -10.764 1.00 1.21 C ATOM 1318 OD1 ASP A 83 5.829 3.124 -11.137 1.00 1.72 O ATOM 1319 OD2 ASP A 83 4.674 4.981 -11.278 1.00 2.00 O ATOM 0 H ASP A 83 4.509 5.525 -8.044 1.00 0.20 H new ATOM 0 HA ASP A 83 6.211 3.171 -8.405 1.00 0.24 H new ATOM 0 HB2 ASP A 83 6.216 5.965 -9.600 1.00 0.34 H new ATOM 0 HB3 ASP A 83 7.475 4.787 -9.914 1.00 0.34 H new ATOM 1324 N TYR A 84 7.095 4.202 -6.088 1.00 0.21 N ATOM 1325 CA TYR A 84 8.031 4.518 -5.036 1.00 0.19 C ATOM 1326 C TYR A 84 9.139 3.486 -4.973 1.00 0.21 C ATOM 1327 O TYR A 84 8.902 2.306 -5.177 1.00 0.33 O ATOM 1328 CB TYR A 84 7.311 4.578 -3.698 1.00 0.19 C ATOM 1329 CG TYR A 84 7.429 5.923 -3.045 1.00 0.19 C ATOM 1330 CD1 TYR A 84 8.663 6.445 -2.692 1.00 0.24 C ATOM 1331 CD2 TYR A 84 6.298 6.662 -2.765 1.00 0.19 C ATOM 1332 CE1 TYR A 84 8.762 7.676 -2.080 1.00 0.28 C ATOM 1333 CE2 TYR A 84 6.385 7.890 -2.151 1.00 0.21 C ATOM 1334 CZ TYR A 84 7.683 8.415 -1.864 1.00 0.25 C ATOM 1335 OH TYR A 84 7.680 9.621 -1.205 1.00 0.30 O ATOM 0 H TYR A 84 6.344 3.573 -5.805 1.00 0.21 H new ATOM 0 HA TYR A 84 8.473 5.490 -5.254 1.00 0.19 H new ATOM 0 HB2 TYR A 84 6.258 4.339 -3.844 1.00 0.19 H new ATOM 0 HB3 TYR A 84 7.721 3.817 -3.034 1.00 0.19 H new ATOM 0 HD1 TYR A 84 9.560 5.880 -2.899 1.00 0.24 H new ATOM 0 HD2 TYR A 84 5.328 6.270 -3.032 1.00 0.19 H new ATOM 0 HE1 TYR A 84 9.730 8.043 -1.773 1.00 0.28 H new ATOM 0 HE2 TYR A 84 5.495 8.444 -1.892 1.00 0.21 H new ATOM 0 HH TYR A 84 8.540 10.070 -1.341 1.00 0.30 H new ATOM 1345 N GLN A 85 10.335 3.928 -4.639 1.00 0.27 N ATOM 1346 CA GLN A 85 11.489 3.037 -4.601 1.00 0.28 C ATOM 1347 C GLN A 85 11.678 2.552 -3.179 1.00 0.24 C ATOM 1348 O GLN A 85 12.687 1.940 -2.830 1.00 0.28 O ATOM 1349 CB GLN A 85 12.753 3.750 -5.110 1.00 0.40 C ATOM 1350 CG GLN A 85 13.353 4.773 -4.144 1.00 0.70 C ATOM 1351 CD GLN A 85 12.464 5.979 -3.873 1.00 0.77 C ATOM 1352 OE1 GLN A 85 11.672 6.387 -4.853 1.00 1.74 O flip ATOM 1353 NE2 GLN A 85 12.501 6.553 -2.788 1.00 0.74 N flip ATOM 0 H GLN A 85 10.538 4.896 -4.390 1.00 0.27 H new ATOM 0 HA GLN A 85 11.313 2.185 -5.258 1.00 0.28 H new ATOM 0 HB2 GLN A 85 13.510 2.998 -5.335 1.00 0.40 H new ATOM 0 HB3 GLN A 85 12.515 4.254 -6.047 1.00 0.40 H new ATOM 0 HG2 GLN A 85 13.570 4.277 -3.198 1.00 0.70 H new ATOM 0 HG3 GLN A 85 14.304 5.121 -4.547 1.00 0.70 H new ATOM 0 HE21 GLN A 85 13.122 6.214 -2.053 1.00 0.74 H new ATOM 0 HE22 GLN A 85 11.911 7.368 -2.622 1.00 0.74 H new ATOM 1362 N LEU A 86 10.632 2.789 -2.400 1.00 0.22 N ATOM 1363 CA LEU A 86 10.613 2.558 -0.960 1.00 0.24 C ATOM 1364 C LEU A 86 11.673 3.355 -0.214 1.00 0.30 C ATOM 1365 O LEU A 86 12.712 3.736 -0.753 1.00 0.34 O ATOM 1366 CB LEU A 86 10.750 1.070 -0.620 1.00 0.25 C ATOM 1367 CG LEU A 86 9.608 0.183 -1.101 1.00 0.29 C ATOM 1368 CD1 LEU A 86 8.270 0.816 -0.756 1.00 0.75 C ATOM 1369 CD2 LEU A 86 9.746 -0.086 -2.590 1.00 0.86 C ATOM 0 H LEU A 86 9.751 3.156 -2.759 1.00 0.22 H new ATOM 0 HA LEU A 86 9.638 2.910 -0.624 1.00 0.24 H new ATOM 0 HB2 LEU A 86 11.681 0.700 -1.050 1.00 0.25 H new ATOM 0 HB3 LEU A 86 10.836 0.968 0.462 1.00 0.25 H new ATOM 0 HG LEU A 86 9.655 -0.778 -0.589 1.00 0.29 H new ATOM 0 HD11 LEU A 86 7.462 0.173 -1.105 1.00 0.75 H new ATOM 0 HD12 LEU A 86 8.194 0.940 0.324 1.00 0.75 H new ATOM 0 HD13 LEU A 86 8.193 1.790 -1.240 1.00 0.75 H new ATOM 0 HD21 LEU A 86 8.925 -0.721 -2.923 1.00 0.86 H new ATOM 0 HD22 LEU A 86 9.719 0.858 -3.134 1.00 0.86 H new ATOM 0 HD23 LEU A 86 10.694 -0.589 -2.783 1.00 0.86 H new ATOM 1381 N GLN A 87 11.370 3.610 1.039 1.00 0.39 N ATOM 1382 CA GLN A 87 12.273 4.280 1.946 1.00 0.51 C ATOM 1383 C GLN A 87 12.120 3.641 3.309 1.00 0.76 C ATOM 1384 O GLN A 87 11.045 3.154 3.648 1.00 1.74 O ATOM 1385 CB GLN A 87 12.009 5.790 1.998 1.00 0.46 C ATOM 1386 CG GLN A 87 10.539 6.164 1.960 1.00 0.86 C ATOM 1387 CD GLN A 87 9.940 6.061 0.569 1.00 0.65 C ATOM 1388 OE1 GLN A 87 10.633 6.278 -0.422 1.00 1.18 O ATOM 1389 NE2 GLN A 87 8.667 5.694 0.486 1.00 0.48 N ATOM 0 H GLN A 87 10.478 3.354 1.462 1.00 0.39 H new ATOM 0 HA GLN A 87 13.299 4.168 1.596 1.00 0.51 H new ATOM 0 HB2 GLN A 87 12.452 6.194 2.908 1.00 0.46 H new ATOM 0 HB3 GLN A 87 12.516 6.266 1.158 1.00 0.46 H new ATOM 0 HG2 GLN A 87 9.986 5.513 2.638 1.00 0.86 H new ATOM 0 HG3 GLN A 87 10.419 7.183 2.328 1.00 0.86 H new ATOM 0 HE21 GLN A 87 8.129 5.524 1.336 1.00 0.48 H new ATOM 0 HE22 GLN A 87 8.227 5.582 -0.427 1.00 0.48 H new ATOM 1398 N ASP A 88 13.186 3.615 4.078 1.00 0.43 N ATOM 1399 CA ASP A 88 13.203 2.820 5.299 1.00 0.40 C ATOM 1400 C ASP A 88 12.295 3.409 6.370 1.00 0.32 C ATOM 1401 O ASP A 88 12.177 4.629 6.503 1.00 0.36 O ATOM 1402 CB ASP A 88 14.626 2.670 5.842 1.00 0.56 C ATOM 1403 CG ASP A 88 14.675 1.861 7.118 1.00 1.40 C ATOM 1404 OD1 ASP A 88 14.121 0.743 7.135 1.00 2.44 O ATOM 1405 OD2 ASP A 88 15.249 2.345 8.115 1.00 1.53 O ATOM 0 H ASP A 88 14.047 4.127 3.888 1.00 0.43 H new ATOM 0 HA ASP A 88 12.822 1.833 5.038 1.00 0.40 H new ATOM 0 HB2 ASP A 88 15.251 2.192 5.088 1.00 0.56 H new ATOM 0 HB3 ASP A 88 15.048 3.658 6.025 1.00 0.56 H new ATOM 1410 N GLN A 89 11.651 2.512 7.115 1.00 0.31 N ATOM 1411 CA GLN A 89 10.754 2.869 8.212 1.00 0.34 C ATOM 1412 C GLN A 89 9.507 3.555 7.678 1.00 0.34 C ATOM 1413 O GLN A 89 8.841 4.310 8.387 1.00 0.42 O ATOM 1414 CB GLN A 89 11.459 3.754 9.249 1.00 0.40 C ATOM 1415 CG GLN A 89 12.701 3.116 9.852 1.00 0.62 C ATOM 1416 CD GLN A 89 12.454 1.704 10.350 1.00 0.77 C ATOM 1417 OE1 GLN A 89 12.073 1.495 11.499 1.00 1.56 O ATOM 1418 NE2 GLN A 89 12.700 0.721 9.496 1.00 0.71 N ATOM 0 H GLN A 89 11.739 1.506 6.972 1.00 0.31 H new ATOM 0 HA GLN A 89 10.457 1.948 8.713 1.00 0.34 H new ATOM 0 HB2 GLN A 89 11.737 4.698 8.780 1.00 0.40 H new ATOM 0 HB3 GLN A 89 10.758 3.991 10.049 1.00 0.40 H new ATOM 0 HG2 GLN A 89 13.494 3.099 9.105 1.00 0.62 H new ATOM 0 HG3 GLN A 89 13.055 3.731 10.679 1.00 0.62 H new ATOM 0 HE21 GLN A 89 13.015 0.934 8.550 1.00 0.71 H new ATOM 0 HE22 GLN A 89 12.574 -0.249 9.785 1.00 0.71 H new ATOM 1427 N ASP A 90 9.187 3.264 6.430 1.00 0.30 N ATOM 1428 CA ASP A 90 8.008 3.824 5.795 1.00 0.34 C ATOM 1429 C ASP A 90 6.759 3.140 6.305 1.00 0.32 C ATOM 1430 O ASP A 90 6.703 1.912 6.377 1.00 0.45 O ATOM 1431 CB ASP A 90 8.080 3.652 4.281 1.00 0.45 C ATOM 1432 CG ASP A 90 7.847 4.944 3.542 1.00 0.75 C ATOM 1433 OD1 ASP A 90 8.292 5.993 4.023 1.00 1.17 O ATOM 1434 OD2 ASP A 90 7.190 4.915 2.491 1.00 1.06 O ATOM 0 H ASP A 90 9.730 2.640 5.834 1.00 0.30 H new ATOM 0 HA ASP A 90 7.970 4.886 6.038 1.00 0.34 H new ATOM 0 HB2 ASP A 90 9.058 3.253 4.010 1.00 0.45 H new ATOM 0 HB3 ASP A 90 7.338 2.918 3.966 1.00 0.45 H new ATOM 1439 N SER A 91 5.766 3.919 6.675 1.00 0.23 N ATOM 1440 CA SER A 91 4.488 3.357 7.032 1.00 0.21 C ATOM 1441 C SER A 91 3.522 3.597 5.895 1.00 0.17 C ATOM 1442 O SER A 91 2.975 4.687 5.753 1.00 0.17 O ATOM 1443 CB SER A 91 3.955 3.967 8.324 1.00 0.25 C ATOM 1444 OG SER A 91 2.786 3.299 8.764 1.00 1.14 O ATOM 0 H SER A 91 5.821 4.936 6.735 1.00 0.23 H new ATOM 0 HA SER A 91 4.603 2.287 7.204 1.00 0.21 H new ATOM 0 HB2 SER A 91 4.721 3.912 9.098 1.00 0.25 H new ATOM 0 HB3 SER A 91 3.736 5.023 8.167 1.00 0.25 H new ATOM 0 HG SER A 91 2.467 3.710 9.595 1.00 1.14 H new ATOM 1450 N ILE A 92 3.359 2.591 5.063 1.00 0.17 N ATOM 1451 CA ILE A 92 2.462 2.681 3.934 1.00 0.15 C ATOM 1452 C ILE A 92 1.071 2.290 4.403 1.00 0.14 C ATOM 1453 O ILE A 92 0.802 1.118 4.678 1.00 0.17 O ATOM 1454 CB ILE A 92 2.893 1.751 2.776 1.00 0.17 C ATOM 1455 CG1 ILE A 92 4.419 1.773 2.586 1.00 0.19 C ATOM 1456 CG2 ILE A 92 2.189 2.150 1.487 1.00 0.19 C ATOM 1457 CD1 ILE A 92 5.002 3.148 2.337 1.00 0.21 C ATOM 0 H ILE A 92 3.840 1.696 5.149 1.00 0.17 H new ATOM 0 HA ILE A 92 2.480 3.703 3.555 1.00 0.15 H new ATOM 0 HB ILE A 92 2.602 0.733 3.033 1.00 0.17 H new ATOM 0 HG12 ILE A 92 4.889 1.348 3.473 1.00 0.19 H new ATOM 0 HG13 ILE A 92 4.677 1.126 1.748 1.00 0.19 H new ATOM 0 HG21 ILE A 92 2.502 1.487 0.681 1.00 0.19 H new ATOM 0 HG22 ILE A 92 1.110 2.072 1.622 1.00 0.19 H new ATOM 0 HG23 ILE A 92 2.450 3.178 1.233 1.00 0.19 H new ATOM 0 HD11 ILE A 92 6.082 3.069 2.215 1.00 0.21 H new ATOM 0 HD12 ILE A 92 4.565 3.570 1.432 1.00 0.21 H new ATOM 0 HD13 ILE A 92 4.779 3.796 3.184 1.00 0.21 H new ATOM 1469 N LEU A 93 0.202 3.266 4.511 1.00 0.13 N ATOM 1470 CA LEU A 93 -1.097 3.052 5.116 1.00 0.14 C ATOM 1471 C LEU A 93 -2.207 3.375 4.127 1.00 0.14 C ATOM 1472 O LEU A 93 -2.250 4.471 3.576 1.00 0.19 O ATOM 1473 CB LEU A 93 -1.220 3.931 6.364 1.00 0.18 C ATOM 1474 CG LEU A 93 -2.022 3.323 7.514 1.00 0.32 C ATOM 1475 CD1 LEU A 93 -2.276 4.347 8.601 1.00 0.63 C ATOM 1476 CD2 LEU A 93 -3.330 2.759 7.011 1.00 0.56 C ATOM 0 H LEU A 93 0.368 4.219 4.188 1.00 0.13 H new ATOM 0 HA LEU A 93 -1.194 2.004 5.400 1.00 0.14 H new ATOM 0 HB2 LEU A 93 -0.218 4.164 6.725 1.00 0.18 H new ATOM 0 HB3 LEU A 93 -1.684 4.875 6.079 1.00 0.18 H new ATOM 0 HG LEU A 93 -1.432 2.511 7.940 1.00 0.32 H new ATOM 0 HD11 LEU A 93 -2.849 3.888 9.407 1.00 0.63 H new ATOM 0 HD12 LEU A 93 -1.324 4.707 8.991 1.00 0.63 H new ATOM 0 HD13 LEU A 93 -2.838 5.184 8.188 1.00 0.63 H new ATOM 0 HD21 LEU A 93 -3.886 2.331 7.845 1.00 0.56 H new ATOM 0 HD22 LEU A 93 -3.918 3.555 6.554 1.00 0.56 H new ATOM 0 HD23 LEU A 93 -3.131 1.984 6.271 1.00 0.56 H new ATOM 1488 N PHE A 94 -3.096 2.414 3.901 1.00 0.13 N ATOM 1489 CA PHE A 94 -4.259 2.643 3.055 1.00 0.14 C ATOM 1490 C PHE A 94 -5.465 3.027 3.915 1.00 0.13 C ATOM 1491 O PHE A 94 -5.988 2.208 4.672 1.00 0.15 O ATOM 1492 CB PHE A 94 -4.588 1.380 2.248 1.00 0.18 C ATOM 1493 CG PHE A 94 -3.552 1.010 1.218 1.00 0.21 C ATOM 1494 CD1 PHE A 94 -2.308 0.540 1.611 1.00 0.27 C ATOM 1495 CD2 PHE A 94 -3.815 1.140 -0.138 1.00 0.26 C ATOM 1496 CE1 PHE A 94 -1.350 0.203 0.673 1.00 0.32 C ATOM 1497 CE2 PHE A 94 -2.862 0.803 -1.079 1.00 0.31 C ATOM 1498 CZ PHE A 94 -1.650 0.320 -0.691 1.00 0.33 C ATOM 0 H PHE A 94 -3.033 1.473 4.290 1.00 0.13 H new ATOM 0 HA PHE A 94 -4.031 3.457 2.367 1.00 0.14 H new ATOM 0 HB2 PHE A 94 -4.711 0.545 2.938 1.00 0.18 H new ATOM 0 HB3 PHE A 94 -5.545 1.523 1.747 1.00 0.18 H new ATOM 0 HD1 PHE A 94 -2.085 0.436 2.663 1.00 0.27 H new ATOM 0 HD2 PHE A 94 -4.777 1.509 -0.462 1.00 0.26 H new ATOM 0 HE1 PHE A 94 -0.378 -0.148 0.989 1.00 0.32 H new ATOM 0 HE2 PHE A 94 -3.080 0.924 -2.130 1.00 0.31 H new ATOM 0 HZ PHE A 94 -0.921 0.028 -1.433 1.00 0.33 H new ATOM 1508 N ILE A 95 -5.934 4.256 3.769 1.00 0.13 N ATOM 1509 CA ILE A 95 -7.060 4.738 4.555 1.00 0.17 C ATOM 1510 C ILE A 95 -8.233 5.058 3.648 1.00 0.18 C ATOM 1511 O ILE A 95 -8.230 6.069 2.951 1.00 0.20 O ATOM 1512 CB ILE A 95 -6.722 6.005 5.385 1.00 0.26 C ATOM 1513 CG1 ILE A 95 -5.546 5.762 6.334 1.00 0.27 C ATOM 1514 CG2 ILE A 95 -7.938 6.468 6.178 1.00 0.35 C ATOM 1515 CD1 ILE A 95 -4.192 5.940 5.685 1.00 1.16 C ATOM 0 H ILE A 95 -5.553 4.938 3.114 1.00 0.13 H new ATOM 0 HA ILE A 95 -7.311 3.936 5.250 1.00 0.17 H new ATOM 0 HB ILE A 95 -6.434 6.786 4.681 1.00 0.26 H new ATOM 0 HG12 ILE A 95 -5.626 6.445 7.179 1.00 0.27 H new ATOM 0 HG13 ILE A 95 -5.617 4.751 6.734 1.00 0.27 H new ATOM 0 HG21 ILE A 95 -7.680 7.357 6.753 1.00 0.35 H new ATOM 0 HG22 ILE A 95 -8.752 6.703 5.492 1.00 0.35 H new ATOM 0 HG23 ILE A 95 -8.253 5.676 6.857 1.00 0.35 H new ATOM 0 HD11 ILE A 95 -3.409 5.751 6.419 1.00 1.16 H new ATOM 0 HD12 ILE A 95 -4.090 5.238 4.857 1.00 1.16 H new ATOM 0 HD13 ILE A 95 -4.100 6.959 5.310 1.00 1.16 H new ATOM 1527 N SER A 96 -9.224 4.186 3.642 1.00 0.20 N ATOM 1528 CA SER A 96 -10.433 4.444 2.893 1.00 0.24 C ATOM 1529 C SER A 96 -11.211 5.562 3.561 1.00 0.28 C ATOM 1530 O SER A 96 -11.634 5.443 4.710 1.00 0.35 O ATOM 1531 CB SER A 96 -11.280 3.173 2.784 1.00 0.31 C ATOM 1532 OG SER A 96 -12.475 3.408 2.059 1.00 0.37 O ATOM 0 H SER A 96 -9.213 3.299 4.145 1.00 0.20 H new ATOM 0 HA SER A 96 -10.171 4.754 1.881 1.00 0.24 H new ATOM 0 HB2 SER A 96 -10.702 2.390 2.292 1.00 0.31 H new ATOM 0 HB3 SER A 96 -11.524 2.810 3.782 1.00 0.31 H new ATOM 0 HG SER A 96 -12.993 2.578 2.005 1.00 0.37 H new ATOM 1538 N THR A 97 -11.367 6.665 2.851 1.00 0.27 N ATOM 1539 CA THR A 97 -12.102 7.794 3.376 1.00 0.36 C ATOM 1540 C THR A 97 -13.513 7.778 2.799 1.00 0.48 C ATOM 1541 O THR A 97 -14.299 8.714 2.970 1.00 0.58 O ATOM 1542 CB THR A 97 -11.379 9.128 3.066 1.00 0.34 C ATOM 1543 OG1 THR A 97 -11.877 10.168 3.917 1.00 0.43 O ATOM 1544 CG2 THR A 97 -11.549 9.537 1.608 1.00 0.35 C ATOM 0 H THR A 97 -10.994 6.800 1.911 1.00 0.27 H new ATOM 0 HA THR A 97 -12.159 7.713 4.461 1.00 0.36 H new ATOM 0 HB THR A 97 -10.316 8.976 3.253 1.00 0.34 H new ATOM 0 HG1 THR A 97 -12.853 10.101 3.979 1.00 0.43 H new ATOM 0 HG21 THR A 97 -11.027 10.478 1.431 1.00 0.35 H new ATOM 0 HG22 THR A 97 -11.133 8.764 0.962 1.00 0.35 H new ATOM 0 HG23 THR A 97 -12.609 9.663 1.387 1.00 0.35 H new ATOM 1552 N LEU A 98 -13.824 6.677 2.126 1.00 0.53 N ATOM 1553 CA LEU A 98 -15.128 6.474 1.526 1.00 0.70 C ATOM 1554 C LEU A 98 -16.197 6.312 2.591 1.00 0.79 C ATOM 1555 O LEU A 98 -15.953 5.745 3.659 1.00 1.27 O ATOM 1556 CB LEU A 98 -15.113 5.235 0.628 1.00 0.98 C ATOM 1557 CG LEU A 98 -14.356 5.389 -0.689 1.00 0.82 C ATOM 1558 CD1 LEU A 98 -14.238 4.046 -1.394 1.00 0.94 C ATOM 1559 CD2 LEU A 98 -15.056 6.402 -1.583 1.00 1.09 C ATOM 0 H LEU A 98 -13.176 5.902 1.983 1.00 0.53 H new ATOM 0 HA LEU A 98 -15.360 7.354 0.926 1.00 0.70 H new ATOM 0 HB2 LEU A 98 -14.673 4.408 1.186 1.00 0.98 H new ATOM 0 HB3 LEU A 98 -16.143 4.956 0.405 1.00 0.98 H new ATOM 0 HG LEU A 98 -13.351 5.753 -0.474 1.00 0.82 H new ATOM 0 HD11 LEU A 98 -13.696 4.173 -2.331 1.00 0.94 H new ATOM 0 HD12 LEU A 98 -13.699 3.346 -0.755 1.00 0.94 H new ATOM 0 HD13 LEU A 98 -15.234 3.655 -1.601 1.00 0.94 H new ATOM 0 HD21 LEU A 98 -14.506 6.503 -2.519 1.00 1.09 H new ATOM 0 HD22 LEU A 98 -16.070 6.063 -1.793 1.00 1.09 H new ATOM 0 HD23 LEU A 98 -15.094 7.368 -1.079 1.00 1.09 H new ATOM 1571 N HIS A 99 -17.373 6.827 2.296 1.00 1.41 N ATOM 1572 CA HIS A 99 -18.524 6.654 3.157 1.00 1.74 C ATOM 1573 C HIS A 99 -19.639 6.016 2.340 1.00 2.61 C ATOM 1574 O HIS A 99 -20.427 6.710 1.697 1.00 3.47 O ATOM 1575 CB HIS A 99 -18.962 8.001 3.738 1.00 2.60 C ATOM 1576 CG HIS A 99 -19.906 7.890 4.895 1.00 3.33 C ATOM 1577 ND1 HIS A 99 -21.235 8.229 4.813 1.00 4.18 N ATOM 1578 CD2 HIS A 99 -19.696 7.506 6.177 1.00 3.94 C ATOM 1579 CE1 HIS A 99 -21.804 8.061 5.991 1.00 5.03 C ATOM 1580 NE2 HIS A 99 -20.893 7.623 6.837 1.00 4.93 N ATOM 0 H HIS A 99 -17.557 7.375 1.456 1.00 1.41 H new ATOM 0 HA HIS A 99 -18.274 6.006 3.997 1.00 1.74 H new ATOM 0 HB2 HIS A 99 -18.077 8.552 4.056 1.00 2.60 H new ATOM 0 HB3 HIS A 99 -19.436 8.587 2.951 1.00 2.60 H new ATOM 0 HD2 HIS A 99 -18.761 7.170 6.600 1.00 3.94 H new ATOM 0 HE1 HIS A 99 -22.842 8.250 6.223 1.00 5.03 H new ATOM 0 HE2 HIS A 99 -21.052 7.407 7.821 1.00 4.93 H new ATOM 1589 N GLY A 100 -19.667 4.691 2.339 1.00 3.03 N ATOM 1590 CA GLY A 100 -20.561 3.965 1.460 1.00 4.27 C ATOM 1591 C GLY A 100 -21.955 3.818 2.026 1.00 4.88 C ATOM 1592 O GLY A 100 -22.922 3.682 1.276 1.00 5.56 O ATOM 0 H GLY A 100 -19.083 4.103 2.934 1.00 3.03 H new ATOM 0 HA2 GLY A 100 -20.617 4.480 0.501 1.00 4.27 H new ATOM 0 HA3 GLY A 100 -20.147 2.975 1.267 1.00 4.27 H new ATOM 1596 N GLY A 101 -22.060 3.841 3.343 1.00 5.05 N ATOM 1597 CA GLY A 101 -23.352 3.719 3.977 1.00 6.01 C ATOM 1598 C GLY A 101 -23.351 4.299 5.369 1.00 6.44 C ATOM 1599 O GLY A 101 -23.082 3.544 6.327 1.00 6.66 O ATOM 1600 OXT GLY A 101 -23.610 5.512 5.511 1.00 6.91 O ATOM 0 H GLY A 101 -21.273 3.942 3.984 1.00 5.05 H new ATOM 0 HA2 GLY A 101 -24.103 4.227 3.372 1.00 6.01 H new ATOM 0 HA3 GLY A 101 -23.637 2.668 4.022 1.00 6.01 H new TER 1604 GLY A 101