USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 798 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 96 LYS NZ :NH3+ -139:sc= 0.0916 (180deg=-0.435) USER MOD Set 1.2: A 100 THR OG1 : rot 84:sc= 0.483 USER MOD Set 2.1: A 69 CYS SG : rot 170:sc= -0.0124 USER MOD Set 2.2: A 78 GLN : amide:sc= -3.37 K(o=-3.4,f=-9.7!) USER MOD Set 3.1: A 32 CYS SG : rot 158:sc= -0.238 USER MOD Set 3.2: A 35 CYS SG : rot 84:sc= -1.55! USER MOD Single : A 3 LYS NZ :NH3+ 157:sc=-0.00516 (180deg=-0.276) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 7 SER OG : rot 180:sc= 0.0183 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.054) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0658 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= 0.552 K(o=0.55,f=-4.6!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 34:sc= -1.59! USER MOD Single : A 48 LYS NZ :NH3+ 150:sc= -0.137 (180deg=-0.69) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.358 X(o=-0.36,f=-0.56) USER MOD Single : A 62 CYS SG : rot 180:sc= -0.393 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 67 SER OG : rot -22:sc= -0.913 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.00501 USER MOD Single : A 76 THR OG1 : rot 115:sc= 0.883 USER MOD Single : A 81 LYS NZ :NH3+ 149:sc= -0.0986 (180deg=-0.922) USER MOD Single : A 82 LYS NZ :NH3+ -163:sc=-0.00906 (180deg=-0.228) USER MOD Single : A 84 GLN : amide:sc= -0.139 X(o=-0.14,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -5.05! K(o=-5.1!,f=-0.44) USER MOD Single : A 94 LYS NZ :NH3+ -172:sc= -1.6! (180deg=-2.19) USER MOD Single : A 102 ASN : amide:sc= -0.0202 X(o=-0.02,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -4.600 -0.348 8.669 1.00 0.35 N ATOM 21 CA VAL A 2 -3.237 -0.212 8.078 1.00 0.20 C ATOM 22 C VAL A 2 -2.280 -1.211 8.738 1.00 0.19 C ATOM 23 O VAL A 2 -2.371 -1.469 9.922 1.00 0.31 O ATOM 24 CB VAL A 2 -2.728 1.211 8.301 1.00 0.25 C ATOM 25 CG1 VAL A 2 -1.342 1.348 7.674 1.00 0.32 C ATOM 26 CG2 VAL A 2 -3.682 2.202 7.627 1.00 0.23 C ATOM 0 HA VAL A 2 -3.285 -0.419 7.009 1.00 0.20 H new ATOM 0 HB VAL A 2 -2.676 1.420 9.370 1.00 0.25 H new ATOM 0 HG11 VAL A 2 -0.971 2.361 7.829 1.00 0.32 H new ATOM 0 HG12 VAL A 2 -0.660 0.637 8.140 1.00 0.32 H new ATOM 0 HG13 VAL A 2 -1.404 1.144 6.605 1.00 0.32 H new ATOM 0 HG21 VAL A 2 -3.321 3.219 7.784 1.00 0.23 H new ATOM 0 HG22 VAL A 2 -3.727 1.994 6.558 1.00 0.23 H new ATOM 0 HG23 VAL A 2 -4.678 2.099 8.058 1.00 0.23 H new ATOM 36 N LYS A 3 -1.385 -1.752 7.953 1.00 0.19 N ATOM 37 CA LYS A 3 -0.414 -2.745 8.511 1.00 0.18 C ATOM 38 C LYS A 3 0.991 -2.480 7.961 1.00 0.21 C ATOM 39 O LYS A 3 1.145 -2.005 6.854 1.00 0.33 O ATOM 40 CB LYS A 3 -0.860 -4.151 8.108 1.00 0.16 C ATOM 41 CG LYS A 3 -0.409 -5.150 9.176 1.00 0.33 C ATOM 42 CD LYS A 3 -0.826 -6.563 8.752 1.00 0.47 C ATOM 43 CE LYS A 3 -1.947 -7.054 9.671 1.00 1.71 C ATOM 44 NZ LYS A 3 -3.120 -6.139 9.597 1.00 3.04 N ATOM 0 H LYS A 3 -1.283 -1.553 6.958 1.00 0.19 H new ATOM 0 HA LYS A 3 -0.389 -2.654 9.597 1.00 0.18 H new ATOM 0 HB2 LYS A 3 -1.944 -4.184 7.998 1.00 0.16 H new ATOM 0 HB3 LYS A 3 -0.433 -4.417 7.141 1.00 0.16 H new ATOM 0 HG2 LYS A 3 0.672 -5.100 9.304 1.00 0.33 H new ATOM 0 HG3 LYS A 3 -0.856 -4.899 10.138 1.00 0.33 H new ATOM 0 HD2 LYS A 3 -1.164 -6.560 7.716 1.00 0.47 H new ATOM 0 HD3 LYS A 3 0.028 -7.239 8.807 1.00 0.47 H new ATOM 0 HE2 LYS A 3 -2.246 -8.062 9.383 1.00 1.71 H new ATOM 0 HE3 LYS A 3 -1.586 -7.109 10.698 1.00 1.71 H new ATOM 0 HZ1 LYS A 3 -3.978 -6.650 9.888 1.00 3.04 H new ATOM 0 HZ2 LYS A 3 -2.968 -5.328 10.231 1.00 3.04 H new ATOM 0 HZ3 LYS A 3 -3.234 -5.799 8.621 1.00 3.04 H new ATOM 58 N GLN A 4 1.986 -2.795 8.753 1.00 0.11 N ATOM 59 CA GLN A 4 3.395 -2.576 8.299 1.00 0.13 C ATOM 60 C GLN A 4 4.050 -3.917 7.952 1.00 0.13 C ATOM 61 O GLN A 4 3.955 -4.869 8.701 1.00 0.14 O ATOM 62 CB GLN A 4 4.184 -1.903 9.423 1.00 0.13 C ATOM 63 CG GLN A 4 5.657 -1.819 9.018 1.00 0.21 C ATOM 64 CD GLN A 4 6.325 -0.665 9.768 1.00 0.23 C ATOM 65 OE1 GLN A 4 6.015 -0.392 10.911 1.00 1.15 O ATOM 66 NE2 GLN A 4 7.245 0.037 9.163 1.00 1.10 N ATOM 0 H GLN A 4 1.886 -3.191 9.687 1.00 0.11 H new ATOM 0 HA GLN A 4 3.393 -1.941 7.413 1.00 0.13 H new ATOM 0 HB2 GLN A 4 3.789 -0.905 9.615 1.00 0.13 H new ATOM 0 HB3 GLN A 4 4.080 -2.470 10.348 1.00 0.13 H new ATOM 0 HG2 GLN A 4 6.163 -2.757 9.247 1.00 0.21 H new ATOM 0 HG3 GLN A 4 5.742 -1.666 7.942 1.00 0.21 H new ATOM 0 HE21 GLN A 4 7.509 -0.187 8.204 1.00 1.10 H new ATOM 0 HE22 GLN A 4 7.699 0.810 9.650 1.00 1.10 H new ATOM 75 N ILE A 5 4.700 -3.963 6.822 1.00 0.14 N ATOM 76 CA ILE A 5 5.367 -5.234 6.410 1.00 0.14 C ATOM 77 C ILE A 5 6.842 -5.212 6.836 1.00 0.20 C ATOM 78 O ILE A 5 7.301 -4.259 7.434 1.00 0.18 O ATOM 79 CB ILE A 5 5.273 -5.375 4.884 1.00 0.18 C ATOM 80 CG1 ILE A 5 3.811 -5.158 4.439 1.00 0.20 C ATOM 81 CG2 ILE A 5 5.760 -6.774 4.449 1.00 0.16 C ATOM 82 CD1 ILE A 5 2.876 -6.102 5.209 1.00 0.25 C ATOM 0 H ILE A 5 4.799 -3.185 6.170 1.00 0.14 H new ATOM 0 HA ILE A 5 4.873 -6.078 6.891 1.00 0.14 H new ATOM 0 HB ILE A 5 5.908 -4.625 4.412 1.00 0.18 H new ATOM 0 HG12 ILE A 5 3.520 -4.123 4.615 1.00 0.20 H new ATOM 0 HG13 ILE A 5 3.719 -5.337 3.368 1.00 0.20 H new ATOM 0 HG21 ILE A 5 5.689 -6.863 3.365 1.00 0.16 H new ATOM 0 HG22 ILE A 5 6.797 -6.911 4.757 1.00 0.16 H new ATOM 0 HG23 ILE A 5 5.139 -7.537 4.917 1.00 0.16 H new ATOM 0 HD11 ILE A 5 1.848 -5.939 4.886 1.00 0.25 H new ATOM 0 HD12 ILE A 5 3.159 -7.136 5.011 1.00 0.25 H new ATOM 0 HD13 ILE A 5 2.957 -5.902 6.277 1.00 0.25 H new ATOM 94 N GLU A 6 7.552 -6.263 6.521 1.00 0.31 N ATOM 95 CA GLU A 6 8.994 -6.310 6.905 1.00 0.40 C ATOM 96 C GLU A 6 9.780 -7.218 5.946 1.00 0.34 C ATOM 97 O GLU A 6 10.930 -6.960 5.651 1.00 0.47 O ATOM 98 CB GLU A 6 9.119 -6.848 8.331 1.00 0.46 C ATOM 99 CG GLU A 6 8.264 -8.109 8.479 1.00 0.91 C ATOM 100 CD GLU A 6 7.083 -7.815 9.404 1.00 1.94 C ATOM 101 OE1 GLU A 6 6.210 -7.092 8.953 1.00 3.30 O ATOM 102 OE2 GLU A 6 7.120 -8.330 10.510 1.00 1.73 O ATOM 0 H GLU A 6 7.202 -7.081 6.021 1.00 0.31 H new ATOM 0 HA GLU A 6 9.406 -5.302 6.848 1.00 0.40 H new ATOM 0 HB2 GLU A 6 10.161 -7.074 8.555 1.00 0.46 H new ATOM 0 HB3 GLU A 6 8.796 -6.091 9.046 1.00 0.46 H new ATOM 0 HG2 GLU A 6 7.904 -8.434 7.503 1.00 0.91 H new ATOM 0 HG3 GLU A 6 8.864 -8.923 8.885 1.00 0.91 H new ATOM 109 N SER A 7 9.144 -8.261 5.478 1.00 0.19 N ATOM 110 CA SER A 7 9.851 -9.188 4.545 1.00 0.22 C ATOM 111 C SER A 7 8.872 -9.759 3.512 1.00 0.26 C ATOM 112 O SER A 7 7.711 -9.403 3.489 1.00 0.23 O ATOM 113 CB SER A 7 10.465 -10.333 5.351 1.00 0.21 C ATOM 114 OG SER A 7 9.358 -11.155 5.689 1.00 0.44 O ATOM 0 H SER A 7 8.179 -8.509 5.698 1.00 0.19 H new ATOM 0 HA SER A 7 10.632 -8.638 4.019 1.00 0.22 H new ATOM 0 HB2 SER A 7 11.203 -10.881 4.765 1.00 0.21 H new ATOM 0 HB3 SER A 7 10.974 -9.965 6.242 1.00 0.21 H new ATOM 0 HG SER A 7 9.669 -11.923 6.212 1.00 0.44 H new ATOM 120 N LYS A 8 9.369 -10.633 2.678 1.00 0.36 N ATOM 121 CA LYS A 8 8.488 -11.239 1.635 1.00 0.44 C ATOM 122 C LYS A 8 7.454 -12.153 2.287 1.00 0.52 C ATOM 123 O LYS A 8 6.272 -12.041 2.034 1.00 0.56 O ATOM 124 CB LYS A 8 9.354 -12.044 0.661 1.00 0.65 C ATOM 125 CG LYS A 8 8.487 -12.552 -0.503 1.00 0.65 C ATOM 126 CD LYS A 8 9.322 -13.487 -1.387 1.00 0.68 C ATOM 127 CE LYS A 8 10.540 -12.729 -1.921 1.00 1.29 C ATOM 128 NZ LYS A 8 10.977 -13.295 -3.228 1.00 1.63 N ATOM 0 H LYS A 8 10.338 -10.952 2.672 1.00 0.36 H new ATOM 0 HA LYS A 8 7.963 -10.449 1.097 1.00 0.44 H new ATOM 0 HB2 LYS A 8 10.164 -11.422 0.280 1.00 0.65 H new ATOM 0 HB3 LYS A 8 9.815 -12.885 1.179 1.00 0.65 H new ATOM 0 HG2 LYS A 8 7.614 -13.080 -0.118 1.00 0.65 H new ATOM 0 HG3 LYS A 8 8.118 -11.711 -1.090 1.00 0.65 H new ATOM 0 HD2 LYS A 8 9.644 -14.356 -0.814 1.00 0.68 H new ATOM 0 HD3 LYS A 8 8.718 -13.857 -2.216 1.00 0.68 H new ATOM 0 HE2 LYS A 8 10.295 -11.673 -2.039 1.00 1.29 H new ATOM 0 HE3 LYS A 8 11.357 -12.788 -1.201 1.00 1.29 H new ATOM 0 HZ1 LYS A 8 11.804 -12.769 -3.575 1.00 1.63 H new ATOM 0 HZ2 LYS A 8 11.230 -14.296 -3.105 1.00 1.63 H new ATOM 0 HZ3 LYS A 8 10.202 -13.216 -3.917 1.00 1.63 H new ATOM 142 N THR A 9 7.923 -13.036 3.108 1.00 0.63 N ATOM 143 CA THR A 9 6.985 -13.965 3.788 1.00 0.79 C ATOM 144 C THR A 9 5.852 -13.165 4.408 1.00 0.75 C ATOM 145 O THR A 9 4.697 -13.515 4.288 1.00 0.94 O ATOM 146 CB THR A 9 7.741 -14.734 4.877 1.00 0.86 C ATOM 147 OG1 THR A 9 8.667 -15.551 4.168 1.00 1.06 O ATOM 148 CG2 THR A 9 6.828 -15.709 5.615 1.00 1.15 C ATOM 0 H THR A 9 8.909 -13.158 3.340 1.00 0.63 H new ATOM 0 HA THR A 9 6.572 -14.673 3.069 1.00 0.79 H new ATOM 0 HB THR A 9 8.175 -14.034 5.591 1.00 0.86 H new ATOM 0 HG1 THR A 9 9.194 -16.077 4.805 1.00 1.06 H new ATOM 0 HG21 THR A 9 7.400 -16.236 6.379 1.00 1.15 H new ATOM 0 HG22 THR A 9 6.013 -15.159 6.086 1.00 1.15 H new ATOM 0 HG23 THR A 9 6.418 -16.430 4.908 1.00 1.15 H new ATOM 156 N ALA A 10 6.215 -12.102 5.054 1.00 0.59 N ATOM 157 CA ALA A 10 5.181 -11.241 5.684 1.00 0.66 C ATOM 158 C ALA A 10 4.217 -10.745 4.609 1.00 0.61 C ATOM 159 O ALA A 10 3.018 -10.909 4.718 1.00 0.77 O ATOM 160 CB ALA A 10 5.859 -10.048 6.350 1.00 0.58 C ATOM 0 H ALA A 10 7.179 -11.790 5.175 1.00 0.59 H new ATOM 0 HA ALA A 10 4.630 -11.812 6.432 1.00 0.66 H new ATOM 0 HB1 ALA A 10 5.104 -9.413 6.814 1.00 0.58 H new ATOM 0 HB2 ALA A 10 6.553 -10.403 7.112 1.00 0.58 H new ATOM 0 HB3 ALA A 10 6.405 -9.475 5.601 1.00 0.58 H new ATOM 166 N PHE A 11 4.767 -10.144 3.591 1.00 0.40 N ATOM 167 CA PHE A 11 3.908 -9.646 2.485 1.00 0.36 C ATOM 168 C PHE A 11 3.000 -10.778 2.011 1.00 0.43 C ATOM 169 O PHE A 11 1.917 -10.552 1.515 1.00 0.42 O ATOM 170 CB PHE A 11 4.812 -9.193 1.333 1.00 0.32 C ATOM 171 CG PHE A 11 3.964 -8.602 0.205 1.00 0.32 C ATOM 172 CD1 PHE A 11 3.231 -7.446 0.409 1.00 0.32 C ATOM 173 CD2 PHE A 11 3.921 -9.214 -1.038 1.00 0.35 C ATOM 174 CE1 PHE A 11 2.470 -6.912 -0.610 1.00 0.35 C ATOM 175 CE2 PHE A 11 3.159 -8.678 -2.055 1.00 0.38 C ATOM 176 CZ PHE A 11 2.434 -7.527 -1.842 1.00 0.38 C ATOM 0 H PHE A 11 5.767 -9.978 3.479 1.00 0.40 H new ATOM 0 HA PHE A 11 3.295 -8.811 2.825 1.00 0.36 H new ATOM 0 HB2 PHE A 11 5.526 -8.451 1.690 1.00 0.32 H new ATOM 0 HB3 PHE A 11 5.391 -10.038 0.960 1.00 0.32 H new ATOM 0 HD1 PHE A 11 3.255 -6.959 1.373 1.00 0.32 H new ATOM 0 HD2 PHE A 11 4.488 -10.117 -1.211 1.00 0.35 H new ATOM 0 HE1 PHE A 11 1.901 -6.010 -0.441 1.00 0.35 H new ATOM 0 HE2 PHE A 11 3.131 -9.162 -3.020 1.00 0.38 H new ATOM 0 HZ PHE A 11 1.838 -7.107 -2.639 1.00 0.38 H new ATOM 186 N GLN A 12 3.476 -11.979 2.178 1.00 0.51 N ATOM 187 CA GLN A 12 2.681 -13.166 1.747 1.00 0.61 C ATOM 188 C GLN A 12 1.556 -13.463 2.751 1.00 0.66 C ATOM 189 O GLN A 12 0.512 -13.969 2.387 1.00 0.76 O ATOM 190 CB GLN A 12 3.629 -14.374 1.660 1.00 0.71 C ATOM 191 CG GLN A 12 3.134 -15.391 0.616 1.00 1.56 C ATOM 192 CD GLN A 12 4.326 -16.212 0.135 1.00 1.99 C ATOM 193 OE1 GLN A 12 4.344 -17.424 0.226 1.00 3.08 O ATOM 194 NE2 GLN A 12 5.344 -15.586 -0.385 1.00 2.45 N ATOM 0 H GLN A 12 4.382 -12.192 2.595 1.00 0.51 H new ATOM 0 HA GLN A 12 2.224 -12.965 0.778 1.00 0.61 H new ATOM 0 HB2 GLN A 12 4.631 -14.036 1.397 1.00 0.71 H new ATOM 0 HB3 GLN A 12 3.701 -14.855 2.635 1.00 0.71 H new ATOM 0 HG2 GLN A 12 2.377 -16.043 1.052 1.00 1.56 H new ATOM 0 HG3 GLN A 12 2.666 -14.875 -0.223 1.00 1.56 H new ATOM 0 HE21 GLN A 12 5.332 -14.569 -0.463 1.00 2.45 H new ATOM 0 HE22 GLN A 12 6.153 -16.113 -0.714 1.00 2.45 H new ATOM 203 N GLU A 13 1.798 -13.141 3.989 1.00 0.93 N ATOM 204 CA GLU A 13 0.764 -13.414 5.040 1.00 1.03 C ATOM 205 C GLU A 13 -0.392 -12.408 4.949 1.00 0.85 C ATOM 206 O GLU A 13 -1.545 -12.782 5.010 1.00 0.69 O ATOM 207 CB GLU A 13 1.412 -13.312 6.424 1.00 1.33 C ATOM 208 CG GLU A 13 2.444 -14.432 6.595 1.00 1.02 C ATOM 209 CD GLU A 13 2.718 -14.644 8.087 1.00 1.64 C ATOM 210 OE1 GLU A 13 3.003 -13.648 8.731 1.00 2.73 O ATOM 211 OE2 GLU A 13 2.625 -15.789 8.497 1.00 1.29 O ATOM 0 H GLU A 13 2.657 -12.704 4.323 1.00 0.93 H new ATOM 0 HA GLU A 13 0.365 -14.416 4.881 1.00 1.03 H new ATOM 0 HB2 GLU A 13 1.893 -12.341 6.540 1.00 1.33 H new ATOM 0 HB3 GLU A 13 0.650 -13.385 7.199 1.00 1.33 H new ATOM 0 HG2 GLU A 13 2.074 -15.354 6.147 1.00 1.02 H new ATOM 0 HG3 GLU A 13 3.368 -14.173 6.077 1.00 1.02 H new ATOM 218 N ALA A 14 -0.062 -11.155 4.817 1.00 0.92 N ATOM 219 CA ALA A 14 -1.141 -10.125 4.732 1.00 0.85 C ATOM 220 C ALA A 14 -2.122 -10.475 3.611 1.00 0.62 C ATOM 221 O ALA A 14 -3.318 -10.325 3.761 1.00 0.61 O ATOM 222 CB ALA A 14 -0.512 -8.761 4.455 1.00 0.96 C ATOM 0 H ALA A 14 0.893 -10.800 4.765 1.00 0.92 H new ATOM 0 HA ALA A 14 -1.684 -10.097 5.677 1.00 0.85 H new ATOM 0 HB1 ALA A 14 -1.295 -8.005 4.392 1.00 0.96 H new ATOM 0 HB2 ALA A 14 0.174 -8.506 5.263 1.00 0.96 H new ATOM 0 HB3 ALA A 14 0.034 -8.797 3.512 1.00 0.96 H new ATOM 228 N LEU A 15 -1.597 -10.934 2.512 1.00 0.51 N ATOM 229 CA LEU A 15 -2.488 -11.299 1.375 1.00 0.44 C ATOM 230 C LEU A 15 -3.171 -12.640 1.655 1.00 0.47 C ATOM 231 O LEU A 15 -4.036 -13.066 0.916 1.00 0.56 O ATOM 232 CB LEU A 15 -1.651 -11.398 0.101 1.00 0.44 C ATOM 233 CG LEU A 15 -0.859 -10.099 -0.079 1.00 0.44 C ATOM 234 CD1 LEU A 15 -0.024 -10.193 -1.350 1.00 0.44 C ATOM 235 CD2 LEU A 15 -1.828 -8.924 -0.208 1.00 0.45 C ATOM 0 H LEU A 15 -0.599 -11.072 2.351 1.00 0.51 H new ATOM 0 HA LEU A 15 -3.256 -10.535 1.252 1.00 0.44 H new ATOM 0 HB2 LEU A 15 -0.971 -12.248 0.163 1.00 0.44 H new ATOM 0 HB3 LEU A 15 -2.296 -11.568 -0.761 1.00 0.44 H new ATOM 0 HG LEU A 15 -0.210 -9.947 0.783 1.00 0.44 H new ATOM 0 HD11 LEU A 15 0.542 -9.271 -1.483 1.00 0.44 H new ATOM 0 HD12 LEU A 15 0.666 -11.033 -1.271 1.00 0.44 H new ATOM 0 HD13 LEU A 15 -0.681 -10.342 -2.207 1.00 0.44 H new ATOM 0 HD21 LEU A 15 -1.264 -8.000 -0.336 1.00 0.45 H new ATOM 0 HD22 LEU A 15 -2.474 -9.078 -1.073 1.00 0.45 H new ATOM 0 HD23 LEU A 15 -2.438 -8.855 0.693 1.00 0.45 H new ATOM 247 N ASP A 16 -2.765 -13.275 2.720 1.00 0.60 N ATOM 248 CA ASP A 16 -3.387 -14.583 3.074 1.00 0.69 C ATOM 249 C ASP A 16 -4.513 -14.356 4.077 1.00 0.57 C ATOM 250 O ASP A 16 -5.430 -15.147 4.182 1.00 0.53 O ATOM 251 CB ASP A 16 -2.331 -15.502 3.688 1.00 1.03 C ATOM 252 CG ASP A 16 -2.971 -16.852 4.024 1.00 1.58 C ATOM 253 OD1 ASP A 16 -3.186 -17.598 3.083 1.00 0.48 O ATOM 254 OD2 ASP A 16 -3.207 -17.059 5.203 1.00 3.13 O ATOM 0 H ASP A 16 -2.037 -12.949 3.355 1.00 0.60 H new ATOM 0 HA ASP A 16 -3.791 -15.048 2.175 1.00 0.69 H new ATOM 0 HB2 ASP A 16 -1.504 -15.641 2.992 1.00 1.03 H new ATOM 0 HB3 ASP A 16 -1.916 -15.049 4.588 1.00 1.03 H new ATOM 259 N ALA A 17 -4.415 -13.273 4.794 1.00 0.62 N ATOM 260 CA ALA A 17 -5.471 -12.952 5.797 1.00 0.72 C ATOM 261 C ALA A 17 -6.415 -11.892 5.224 1.00 0.66 C ATOM 262 O ALA A 17 -7.356 -11.477 5.870 1.00 0.82 O ATOM 263 CB ALA A 17 -4.812 -12.410 7.063 1.00 1.01 C ATOM 0 H ALA A 17 -3.653 -12.597 4.731 1.00 0.62 H new ATOM 0 HA ALA A 17 -6.037 -13.853 6.033 1.00 0.72 H new ATOM 0 HB1 ALA A 17 -5.579 -12.174 7.800 1.00 1.01 H new ATOM 0 HB2 ALA A 17 -4.136 -13.161 7.471 1.00 1.01 H new ATOM 0 HB3 ALA A 17 -4.249 -11.508 6.823 1.00 1.01 H new ATOM 269 N ALA A 18 -6.137 -11.478 4.017 1.00 0.55 N ATOM 270 CA ALA A 18 -6.995 -10.441 3.380 1.00 0.70 C ATOM 271 C ALA A 18 -8.061 -11.092 2.497 1.00 0.79 C ATOM 272 O ALA A 18 -8.728 -10.421 1.736 1.00 1.12 O ATOM 273 CB ALA A 18 -6.119 -9.528 2.524 1.00 0.56 C ATOM 0 H ALA A 18 -5.358 -11.811 3.449 1.00 0.55 H new ATOM 0 HA ALA A 18 -7.493 -9.865 4.160 1.00 0.70 H new ATOM 0 HB1 ALA A 18 -6.739 -8.765 2.053 1.00 0.56 H new ATOM 0 HB2 ALA A 18 -5.369 -9.049 3.153 1.00 0.56 H new ATOM 0 HB3 ALA A 18 -5.623 -10.118 1.754 1.00 0.56 H new ATOM 279 N GLY A 19 -8.201 -12.382 2.612 1.00 0.63 N ATOM 280 CA GLY A 19 -9.219 -13.069 1.775 1.00 0.78 C ATOM 281 C GLY A 19 -9.021 -12.695 0.308 1.00 0.70 C ATOM 282 O GLY A 19 -8.106 -13.167 -0.338 1.00 0.65 O ATOM 0 H GLY A 19 -7.664 -12.982 3.239 1.00 0.63 H new ATOM 0 HA2 GLY A 19 -9.136 -14.149 1.899 1.00 0.78 H new ATOM 0 HA3 GLY A 19 -10.221 -12.787 2.100 1.00 0.78 H new ATOM 286 N ASP A 20 -9.881 -11.853 -0.186 1.00 0.73 N ATOM 287 CA ASP A 20 -9.750 -11.432 -1.611 1.00 0.70 C ATOM 288 C ASP A 20 -10.239 -9.990 -1.798 1.00 0.67 C ATOM 289 O ASP A 20 -10.343 -9.510 -2.908 1.00 0.77 O ATOM 290 CB ASP A 20 -10.581 -12.367 -2.484 1.00 0.98 C ATOM 291 CG ASP A 20 -11.488 -13.219 -1.592 1.00 0.70 C ATOM 292 OD1 ASP A 20 -12.488 -12.673 -1.157 1.00 1.07 O ATOM 293 OD2 ASP A 20 -11.128 -14.369 -1.396 1.00 1.80 O ATOM 0 H ASP A 20 -10.661 -11.440 0.325 1.00 0.73 H new ATOM 0 HA ASP A 20 -8.700 -11.481 -1.899 1.00 0.70 H new ATOM 0 HB2 ASP A 20 -11.181 -11.789 -3.187 1.00 0.98 H new ATOM 0 HB3 ASP A 20 -9.927 -13.008 -3.075 1.00 0.98 H new ATOM 298 N LYS A 21 -10.529 -9.331 -0.710 1.00 0.66 N ATOM 299 CA LYS A 21 -11.002 -7.921 -0.819 1.00 0.61 C ATOM 300 C LYS A 21 -9.921 -7.060 -1.479 1.00 0.59 C ATOM 301 O LYS A 21 -8.860 -7.546 -1.816 1.00 0.89 O ATOM 302 CB LYS A 21 -11.299 -7.381 0.578 1.00 0.61 C ATOM 303 CG LYS A 21 -11.903 -8.498 1.430 1.00 1.01 C ATOM 304 CD LYS A 21 -12.628 -7.880 2.626 1.00 0.53 C ATOM 305 CE LYS A 21 -13.144 -8.999 3.532 1.00 0.41 C ATOM 306 NZ LYS A 21 -14.519 -8.688 4.011 1.00 0.95 N ATOM 0 H LYS A 21 -10.461 -9.701 0.238 1.00 0.66 H new ATOM 0 HA LYS A 21 -11.906 -7.889 -1.427 1.00 0.61 H new ATOM 0 HB2 LYS A 21 -10.384 -7.009 1.039 1.00 0.61 H new ATOM 0 HB3 LYS A 21 -11.990 -6.540 0.517 1.00 0.61 H new ATOM 0 HG2 LYS A 21 -12.598 -9.091 0.835 1.00 1.01 H new ATOM 0 HG3 LYS A 21 -11.120 -9.174 1.773 1.00 1.01 H new ATOM 0 HD2 LYS A 21 -11.952 -7.229 3.180 1.00 0.53 H new ATOM 0 HD3 LYS A 21 -13.457 -7.261 2.284 1.00 0.53 H new ATOM 0 HE2 LYS A 21 -13.147 -9.944 2.988 1.00 0.41 H new ATOM 0 HE3 LYS A 21 -12.475 -9.123 4.384 1.00 0.41 H new ATOM 0 HZ1 LYS A 21 -14.855 -9.457 4.625 1.00 0.95 H new ATOM 0 HZ2 LYS A 21 -14.506 -7.797 4.548 1.00 0.95 H new ATOM 0 HZ3 LYS A 21 -15.157 -8.592 3.196 1.00 0.95 H new ATOM 320 N LEU A 22 -10.211 -5.801 -1.648 1.00 0.27 N ATOM 321 CA LEU A 22 -9.204 -4.901 -2.277 1.00 0.23 C ATOM 322 C LEU A 22 -8.037 -4.684 -1.307 1.00 0.21 C ATOM 323 O LEU A 22 -8.245 -4.400 -0.142 1.00 0.27 O ATOM 324 CB LEU A 22 -9.880 -3.562 -2.609 1.00 0.29 C ATOM 325 CG LEU A 22 -8.832 -2.540 -3.078 1.00 1.18 C ATOM 326 CD1 LEU A 22 -8.057 -3.118 -4.265 1.00 1.82 C ATOM 327 CD2 LEU A 22 -9.551 -1.262 -3.518 1.00 1.64 C ATOM 0 H LEU A 22 -11.091 -5.359 -1.382 1.00 0.27 H new ATOM 0 HA LEU A 22 -8.817 -5.348 -3.193 1.00 0.23 H new ATOM 0 HB2 LEU A 22 -10.630 -3.708 -3.387 1.00 0.29 H new ATOM 0 HB3 LEU A 22 -10.402 -3.182 -1.731 1.00 0.29 H new ATOM 0 HG LEU A 22 -8.140 -2.317 -2.266 1.00 1.18 H new ATOM 0 HD11 LEU A 22 -7.313 -2.396 -4.600 1.00 1.82 H new ATOM 0 HD12 LEU A 22 -7.558 -4.038 -3.961 1.00 1.82 H new ATOM 0 HD13 LEU A 22 -8.748 -3.332 -5.081 1.00 1.82 H new ATOM 0 HD21 LEU A 22 -8.817 -0.529 -3.853 1.00 1.64 H new ATOM 0 HD22 LEU A 22 -10.234 -1.492 -4.336 1.00 1.64 H new ATOM 0 HD23 LEU A 22 -10.114 -0.854 -2.679 1.00 1.64 H new ATOM 339 N VAL A 23 -6.834 -4.824 -1.813 1.00 0.17 N ATOM 340 CA VAL A 23 -5.634 -4.639 -0.941 1.00 0.19 C ATOM 341 C VAL A 23 -4.693 -3.613 -1.591 1.00 0.21 C ATOM 342 O VAL A 23 -4.014 -3.917 -2.553 1.00 0.27 O ATOM 343 CB VAL A 23 -4.919 -5.998 -0.804 1.00 0.18 C ATOM 344 CG1 VAL A 23 -4.260 -6.135 0.575 1.00 0.23 C ATOM 345 CG2 VAL A 23 -5.942 -7.123 -0.967 1.00 0.36 C ATOM 0 H VAL A 23 -6.634 -5.057 -2.786 1.00 0.17 H new ATOM 0 HA VAL A 23 -5.928 -4.277 0.044 1.00 0.19 H new ATOM 0 HB VAL A 23 -4.149 -6.060 -1.573 1.00 0.18 H new ATOM 0 HG11 VAL A 23 -3.763 -7.102 0.646 1.00 0.23 H new ATOM 0 HG12 VAL A 23 -3.527 -5.339 0.709 1.00 0.23 H new ATOM 0 HG13 VAL A 23 -5.022 -6.061 1.351 1.00 0.23 H new ATOM 0 HG21 VAL A 23 -5.442 -8.087 -0.871 1.00 0.36 H new ATOM 0 HG22 VAL A 23 -6.707 -7.033 -0.196 1.00 0.36 H new ATOM 0 HG23 VAL A 23 -6.407 -7.052 -1.950 1.00 0.36 H new ATOM 355 N VAL A 24 -4.672 -2.419 -1.048 1.00 0.19 N ATOM 356 CA VAL A 24 -3.800 -1.350 -1.645 1.00 0.21 C ATOM 357 C VAL A 24 -2.532 -1.135 -0.808 1.00 0.25 C ATOM 358 O VAL A 24 -2.605 -0.842 0.371 1.00 0.46 O ATOM 359 CB VAL A 24 -4.590 -0.047 -1.707 1.00 0.23 C ATOM 360 CG1 VAL A 24 -3.706 1.041 -2.309 1.00 0.24 C ATOM 361 CG2 VAL A 24 -5.821 -0.244 -2.594 1.00 0.23 C ATOM 0 H VAL A 24 -5.211 -2.138 -0.229 1.00 0.19 H new ATOM 0 HA VAL A 24 -3.499 -1.664 -2.644 1.00 0.21 H new ATOM 0 HB VAL A 24 -4.904 0.243 -0.704 1.00 0.23 H new ATOM 0 HG11 VAL A 24 -4.263 1.977 -2.357 1.00 0.24 H new ATOM 0 HG12 VAL A 24 -2.821 1.177 -1.687 1.00 0.24 H new ATOM 0 HG13 VAL A 24 -3.401 0.748 -3.314 1.00 0.24 H new ATOM 0 HG21 VAL A 24 -6.388 0.686 -2.641 1.00 0.23 H new ATOM 0 HG22 VAL A 24 -5.505 -0.527 -3.598 1.00 0.23 H new ATOM 0 HG23 VAL A 24 -6.448 -1.031 -2.176 1.00 0.23 H new ATOM 371 N VAL A 25 -1.394 -1.261 -1.450 1.00 0.14 N ATOM 372 CA VAL A 25 -0.104 -1.074 -0.713 1.00 0.13 C ATOM 373 C VAL A 25 0.451 0.332 -0.929 1.00 0.14 C ATOM 374 O VAL A 25 0.221 0.947 -1.951 1.00 0.15 O ATOM 375 CB VAL A 25 0.920 -2.092 -1.216 1.00 0.11 C ATOM 376 CG1 VAL A 25 2.224 -1.916 -0.436 1.00 0.20 C ATOM 377 CG2 VAL A 25 0.388 -3.504 -0.988 1.00 0.09 C ATOM 0 H VAL A 25 -1.303 -1.483 -2.441 1.00 0.14 H new ATOM 0 HA VAL A 25 -0.294 -1.218 0.351 1.00 0.13 H new ATOM 0 HB VAL A 25 1.099 -1.937 -2.280 1.00 0.11 H new ATOM 0 HG11 VAL A 25 2.960 -2.639 -0.789 1.00 0.20 H new ATOM 0 HG12 VAL A 25 2.605 -0.906 -0.588 1.00 0.20 H new ATOM 0 HG13 VAL A 25 2.037 -2.077 0.626 1.00 0.20 H new ATOM 0 HG21 VAL A 25 1.118 -4.230 -1.346 1.00 0.09 H new ATOM 0 HG22 VAL A 25 0.214 -3.660 0.077 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.548 -3.632 -1.531 1.00 0.09 H new ATOM 387 N ASP A 26 1.176 0.802 0.055 1.00 0.16 N ATOM 388 CA ASP A 26 1.788 2.158 -0.046 1.00 0.15 C ATOM 389 C ASP A 26 3.305 2.041 0.080 1.00 0.11 C ATOM 390 O ASP A 26 3.855 2.141 1.161 1.00 0.13 O ATOM 391 CB ASP A 26 1.250 3.037 1.076 1.00 0.18 C ATOM 392 CG ASP A 26 1.863 4.433 0.963 1.00 0.25 C ATOM 393 OD1 ASP A 26 2.474 4.676 -0.064 1.00 1.18 O ATOM 394 OD2 ASP A 26 1.687 5.179 1.913 1.00 0.90 O ATOM 0 H ASP A 26 1.369 0.303 0.924 1.00 0.16 H new ATOM 0 HA ASP A 26 1.538 2.602 -1.009 1.00 0.15 H new ATOM 0 HB2 ASP A 26 0.163 3.099 1.016 1.00 0.18 H new ATOM 0 HB3 ASP A 26 1.491 2.599 2.044 1.00 0.18 H new ATOM 399 N PHE A 27 3.945 1.817 -1.028 1.00 0.09 N ATOM 400 CA PHE A 27 5.425 1.688 -1.005 1.00 0.07 C ATOM 401 C PHE A 27 6.067 3.067 -0.849 1.00 0.07 C ATOM 402 O PHE A 27 6.212 3.799 -1.808 1.00 0.08 O ATOM 403 CB PHE A 27 5.877 1.051 -2.310 1.00 0.11 C ATOM 404 CG PHE A 27 5.523 -0.436 -2.289 1.00 0.09 C ATOM 405 CD1 PHE A 27 6.373 -1.348 -1.690 1.00 0.09 C ATOM 406 CD2 PHE A 27 4.346 -0.892 -2.866 1.00 0.09 C ATOM 407 CE1 PHE A 27 6.062 -2.689 -1.671 1.00 0.09 C ATOM 408 CE2 PHE A 27 4.038 -2.241 -2.843 1.00 0.08 C ATOM 409 CZ PHE A 27 4.895 -3.134 -2.246 1.00 0.08 C ATOM 0 H PHE A 27 3.511 1.718 -1.946 1.00 0.09 H new ATOM 0 HA PHE A 27 5.730 1.066 -0.163 1.00 0.07 H new ATOM 0 HB2 PHE A 27 5.393 1.541 -3.155 1.00 0.11 H new ATOM 0 HB3 PHE A 27 6.952 1.180 -2.439 1.00 0.11 H new ATOM 0 HD1 PHE A 27 7.289 -1.005 -1.233 1.00 0.09 H new ATOM 0 HD2 PHE A 27 3.669 -0.193 -3.334 1.00 0.09 H new ATOM 0 HE1 PHE A 27 6.735 -3.392 -1.204 1.00 0.09 H new ATOM 0 HE2 PHE A 27 3.122 -2.593 -3.295 1.00 0.08 H new ATOM 0 HZ PHE A 27 4.652 -4.186 -2.228 1.00 0.08 H new ATOM 419 N SER A 28 6.436 3.391 0.362 1.00 0.06 N ATOM 420 CA SER A 28 7.067 4.720 0.607 1.00 0.07 C ATOM 421 C SER A 28 8.195 4.592 1.633 1.00 0.14 C ATOM 422 O SER A 28 8.633 3.501 1.941 1.00 0.35 O ATOM 423 CB SER A 28 6.006 5.684 1.129 1.00 0.03 C ATOM 424 OG SER A 28 5.917 5.386 2.515 1.00 0.92 O ATOM 0 H SER A 28 6.329 2.798 1.185 1.00 0.06 H new ATOM 0 HA SER A 28 7.486 5.097 -0.326 1.00 0.07 H new ATOM 0 HB2 SER A 28 6.294 6.722 0.962 1.00 0.03 H new ATOM 0 HB3 SER A 28 5.050 5.534 0.627 1.00 0.03 H new ATOM 0 HG SER A 28 5.250 5.969 2.933 1.00 0.92 H new ATOM 430 N ALA A 29 8.640 5.719 2.140 1.00 0.10 N ATOM 431 CA ALA A 29 9.749 5.695 3.146 1.00 0.09 C ATOM 432 C ALA A 29 9.278 6.282 4.482 1.00 0.21 C ATOM 433 O ALA A 29 8.598 7.288 4.517 1.00 0.21 O ATOM 434 CB ALA A 29 10.915 6.525 2.612 1.00 0.13 C ATOM 0 H ALA A 29 8.286 6.646 1.903 1.00 0.10 H new ATOM 0 HA ALA A 29 10.060 4.663 3.310 1.00 0.09 H new ATOM 0 HB1 ALA A 29 11.730 6.516 3.336 1.00 0.13 H new ATOM 0 HB2 ALA A 29 11.262 6.101 1.670 1.00 0.13 H new ATOM 0 HB3 ALA A 29 10.586 7.551 2.449 1.00 0.13 H new ATOM 440 N THR A 30 9.655 5.637 5.554 1.00 0.33 N ATOM 441 CA THR A 30 9.243 6.143 6.897 1.00 0.47 C ATOM 442 C THR A 30 10.223 7.218 7.366 1.00 0.61 C ATOM 443 O THR A 30 9.827 8.265 7.840 1.00 0.87 O ATOM 444 CB THR A 30 9.242 4.980 7.897 1.00 0.68 C ATOM 445 OG1 THR A 30 8.877 5.572 9.140 1.00 1.05 O ATOM 446 CG2 THR A 30 10.646 4.421 8.114 1.00 0.72 C ATOM 0 H THR A 30 10.224 4.791 5.560 1.00 0.33 H new ATOM 0 HA THR A 30 8.243 6.573 6.832 1.00 0.47 H new ATOM 0 HB THR A 30 8.588 4.185 7.540 1.00 0.68 H new ATOM 0 HG1 THR A 30 8.853 4.883 9.836 1.00 1.05 H new ATOM 0 HG21 THR A 30 10.604 3.599 8.829 1.00 0.72 H new ATOM 0 HG22 THR A 30 11.044 4.058 7.166 1.00 0.72 H new ATOM 0 HG23 THR A 30 11.294 5.206 8.502 1.00 0.72 H new ATOM 454 N TRP A 31 11.480 6.931 7.222 1.00 0.50 N ATOM 455 CA TRP A 31 12.516 7.912 7.644 1.00 0.64 C ATOM 456 C TRP A 31 12.333 9.235 6.888 1.00 0.62 C ATOM 457 O TRP A 31 12.347 10.299 7.477 1.00 0.75 O ATOM 458 CB TRP A 31 13.882 7.328 7.313 1.00 0.68 C ATOM 459 CG TRP A 31 13.901 6.963 5.829 1.00 0.51 C ATOM 460 CD1 TRP A 31 13.468 5.802 5.345 1.00 0.40 C ATOM 461 CD2 TRP A 31 14.313 7.758 4.853 1.00 0.50 C ATOM 462 NE1 TRP A 31 13.637 5.928 4.022 1.00 0.26 N ATOM 463 CE2 TRP A 31 14.163 7.135 3.628 1.00 0.36 C ATOM 464 CE3 TRP A 31 14.821 9.051 4.900 1.00 0.66 C ATOM 465 CZ2 TRP A 31 14.515 7.788 2.469 1.00 0.43 C ATOM 466 CZ3 TRP A 31 15.174 9.698 3.734 1.00 0.71 C ATOM 467 CH2 TRP A 31 15.020 9.068 2.520 1.00 0.61 C ATOM 0 H TRP A 31 11.839 6.060 6.831 1.00 0.50 H new ATOM 0 HA TRP A 31 12.428 8.107 8.713 1.00 0.64 H new ATOM 0 HB2 TRP A 31 14.668 8.050 7.537 1.00 0.68 H new ATOM 0 HB3 TRP A 31 14.076 6.446 7.923 1.00 0.68 H new ATOM 0 HD1 TRP A 31 13.073 4.957 5.890 1.00 0.40 H new ATOM 0 HE1 TRP A 31 13.395 5.189 3.362 1.00 0.26 H new ATOM 0 HE3 TRP A 31 14.939 9.550 5.851 1.00 0.66 H new ATOM 0 HZ2 TRP A 31 14.395 7.295 1.516 1.00 0.43 H new ATOM 0 HZ3 TRP A 31 15.572 10.701 3.774 1.00 0.71 H new ATOM 0 HH2 TRP A 31 15.295 9.577 1.608 1.00 0.61 H new ATOM 478 N CYS A 32 12.164 9.136 5.594 1.00 0.50 N ATOM 479 CA CYS A 32 11.990 10.372 4.778 1.00 0.59 C ATOM 480 C CYS A 32 10.859 11.233 5.354 1.00 0.63 C ATOM 481 O CYS A 32 9.977 10.737 6.026 1.00 0.67 O ATOM 482 CB CYS A 32 11.663 9.976 3.337 1.00 0.52 C ATOM 483 SG CYS A 32 11.464 11.310 2.131 1.00 0.73 S ATOM 0 H CYS A 32 12.139 8.260 5.072 1.00 0.50 H new ATOM 0 HA CYS A 32 12.912 10.953 4.799 1.00 0.59 H new ATOM 0 HB2 CYS A 32 12.454 9.316 2.981 1.00 0.52 H new ATOM 0 HB3 CYS A 32 10.742 9.393 3.349 1.00 0.52 H new ATOM 0 HG CYS A 32 11.657 10.844 0.933 1.00 0.73 H new ATOM 489 N GLY A 33 10.916 12.504 5.080 1.00 0.62 N ATOM 490 CA GLY A 33 9.863 13.417 5.604 1.00 0.66 C ATOM 491 C GLY A 33 8.697 13.556 4.610 1.00 0.64 C ATOM 492 O GLY A 33 7.584 13.164 4.899 1.00 0.57 O ATOM 0 H GLY A 33 11.642 12.950 4.519 1.00 0.62 H new ATOM 0 HA2 GLY A 33 9.490 13.037 6.555 1.00 0.66 H new ATOM 0 HA3 GLY A 33 10.295 14.398 5.801 1.00 0.66 H new ATOM 496 N PRO A 34 8.980 14.117 3.447 1.00 0.72 N ATOM 497 CA PRO A 34 7.953 14.320 2.416 1.00 0.75 C ATOM 498 C PRO A 34 7.180 13.023 2.129 1.00 0.61 C ATOM 499 O PRO A 34 6.216 13.027 1.390 1.00 0.93 O ATOM 500 CB PRO A 34 8.718 14.790 1.173 1.00 0.86 C ATOM 501 CG PRO A 34 10.187 15.069 1.616 1.00 0.90 C ATOM 502 CD PRO A 34 10.331 14.575 3.070 1.00 0.82 C ATOM 0 HA PRO A 34 7.205 15.047 2.734 1.00 0.75 H new ATOM 0 HB2 PRO A 34 8.689 14.030 0.393 1.00 0.86 H new ATOM 0 HB3 PRO A 34 8.263 15.690 0.758 1.00 0.86 H new ATOM 0 HG2 PRO A 34 10.890 14.551 0.963 1.00 0.90 H new ATOM 0 HG3 PRO A 34 10.413 16.133 1.548 1.00 0.90 H new ATOM 0 HD2 PRO A 34 11.058 13.766 3.143 1.00 0.82 H new ATOM 0 HD3 PRO A 34 10.676 15.373 3.727 1.00 0.82 H new ATOM 510 N CYS A 35 7.621 11.941 2.717 1.00 0.36 N ATOM 511 CA CYS A 35 6.908 10.647 2.495 1.00 0.41 C ATOM 512 C CYS A 35 5.921 10.395 3.636 1.00 0.36 C ATOM 513 O CYS A 35 4.820 9.929 3.416 1.00 0.45 O ATOM 514 CB CYS A 35 7.923 9.506 2.442 1.00 0.44 C ATOM 515 SG CYS A 35 9.189 9.581 1.153 1.00 0.53 S ATOM 0 H CYS A 35 8.433 11.896 3.333 1.00 0.36 H new ATOM 0 HA CYS A 35 6.364 10.697 1.552 1.00 0.41 H new ATOM 0 HB2 CYS A 35 8.427 9.458 3.407 1.00 0.44 H new ATOM 0 HB3 CYS A 35 7.374 8.572 2.322 1.00 0.44 H new ATOM 0 HG CYS A 35 10.176 10.324 1.557 1.00 0.53 H new ATOM 521 N LYS A 36 6.337 10.708 4.836 1.00 0.26 N ATOM 522 CA LYS A 36 5.431 10.497 5.996 1.00 0.33 C ATOM 523 C LYS A 36 4.557 11.744 6.207 1.00 0.33 C ATOM 524 O LYS A 36 3.802 11.831 7.155 1.00 0.57 O ATOM 525 CB LYS A 36 6.270 10.220 7.248 1.00 0.33 C ATOM 526 CG LYS A 36 5.338 10.068 8.458 1.00 0.72 C ATOM 527 CD LYS A 36 5.865 8.970 9.380 1.00 0.25 C ATOM 528 CE LYS A 36 5.010 8.929 10.649 1.00 1.69 C ATOM 529 NZ LYS A 36 5.450 9.977 11.612 1.00 1.84 N ATOM 0 H LYS A 36 7.254 11.096 5.058 1.00 0.26 H new ATOM 0 HA LYS A 36 4.781 9.644 5.804 1.00 0.33 H new ATOM 0 HB2 LYS A 36 6.859 9.313 7.112 1.00 0.33 H new ATOM 0 HB3 LYS A 36 6.974 11.035 7.416 1.00 0.33 H new ATOM 0 HG2 LYS A 36 5.274 11.011 9.000 1.00 0.72 H new ATOM 0 HG3 LYS A 36 4.330 9.823 8.124 1.00 0.72 H new ATOM 0 HD2 LYS A 36 5.832 8.006 8.873 1.00 0.25 H new ATOM 0 HD3 LYS A 36 6.907 9.161 9.635 1.00 0.25 H new ATOM 0 HE2 LYS A 36 3.961 9.080 10.393 1.00 1.69 H new ATOM 0 HE3 LYS A 36 5.086 7.946 11.113 1.00 1.69 H new ATOM 0 HZ1 LYS A 36 4.859 9.934 12.466 1.00 1.84 H new ATOM 0 HZ2 LYS A 36 6.444 9.815 11.871 1.00 1.84 H new ATOM 0 HZ3 LYS A 36 5.355 10.915 11.172 1.00 1.84 H new ATOM 543 N MET A 37 4.681 12.687 5.311 1.00 0.19 N ATOM 544 CA MET A 37 3.861 13.928 5.436 1.00 0.20 C ATOM 545 C MET A 37 2.451 13.672 4.896 1.00 0.24 C ATOM 546 O MET A 37 1.491 14.263 5.348 1.00 0.25 O ATOM 547 CB MET A 37 4.521 15.051 4.638 1.00 0.22 C ATOM 548 CG MET A 37 4.086 16.399 5.219 1.00 0.33 C ATOM 549 SD MET A 37 4.482 17.884 4.265 1.00 1.37 S ATOM 550 CE MET A 37 3.919 19.097 5.487 1.00 1.19 C ATOM 0 H MET A 37 5.307 12.654 4.506 1.00 0.19 H new ATOM 0 HA MET A 37 3.795 14.216 6.485 1.00 0.20 H new ATOM 0 HB2 MET A 37 5.606 14.955 4.681 1.00 0.22 H new ATOM 0 HB3 MET A 37 4.236 14.984 3.588 1.00 0.22 H new ATOM 0 HG2 MET A 37 3.006 16.370 5.364 1.00 0.33 H new ATOM 0 HG3 MET A 37 4.538 16.502 6.206 1.00 0.33 H new ATOM 0 HE1 MET A 37 4.073 20.104 5.098 1.00 1.19 H new ATOM 0 HE2 MET A 37 2.859 18.945 5.689 1.00 1.19 H new ATOM 0 HE3 MET A 37 4.486 18.974 6.410 1.00 1.19 H new ATOM 560 N ILE A 38 2.364 12.795 3.933 1.00 0.31 N ATOM 561 CA ILE A 38 1.029 12.468 3.348 1.00 0.38 C ATOM 562 C ILE A 38 0.490 11.187 3.991 1.00 0.27 C ATOM 563 O ILE A 38 -0.480 10.617 3.542 1.00 0.34 O ATOM 564 CB ILE A 38 1.187 12.275 1.837 1.00 0.55 C ATOM 565 CG1 ILE A 38 1.568 13.613 1.206 1.00 0.68 C ATOM 566 CG2 ILE A 38 -0.135 11.799 1.240 1.00 0.70 C ATOM 567 CD1 ILE A 38 2.315 13.354 -0.100 1.00 0.90 C ATOM 0 H ILE A 38 3.153 12.293 3.527 1.00 0.31 H new ATOM 0 HA ILE A 38 0.326 13.279 3.539 1.00 0.38 H new ATOM 0 HB ILE A 38 1.961 11.533 1.641 1.00 0.55 H new ATOM 0 HG12 ILE A 38 0.674 14.208 1.017 1.00 0.68 H new ATOM 0 HG13 ILE A 38 2.194 14.187 1.890 1.00 0.68 H new ATOM 0 HG21 ILE A 38 -0.020 11.662 0.165 1.00 0.70 H new ATOM 0 HG22 ILE A 38 -0.421 10.852 1.698 1.00 0.70 H new ATOM 0 HG23 ILE A 38 -0.909 12.542 1.431 1.00 0.70 H new ATOM 0 HD11 ILE A 38 2.590 14.305 -0.556 1.00 0.90 H new ATOM 0 HD12 ILE A 38 3.216 12.775 0.105 1.00 0.90 H new ATOM 0 HD13 ILE A 38 1.673 12.797 -0.782 1.00 0.90 H new ATOM 579 N LYS A 39 1.138 10.766 5.036 1.00 0.12 N ATOM 580 CA LYS A 39 0.685 9.535 5.732 1.00 0.09 C ATOM 581 C LYS A 39 -0.637 9.762 6.495 1.00 0.12 C ATOM 582 O LYS A 39 -1.495 8.922 6.470 1.00 0.20 O ATOM 583 CB LYS A 39 1.761 9.077 6.705 1.00 0.26 C ATOM 584 CG LYS A 39 2.126 7.617 6.401 1.00 0.95 C ATOM 585 CD LYS A 39 3.041 7.082 7.503 1.00 1.03 C ATOM 586 CE LYS A 39 3.244 5.579 7.299 1.00 1.72 C ATOM 587 NZ LYS A 39 4.360 5.082 8.153 1.00 1.93 N ATOM 0 H LYS A 39 1.959 11.219 5.438 1.00 0.12 H new ATOM 0 HA LYS A 39 0.508 8.769 4.977 1.00 0.09 H new ATOM 0 HB2 LYS A 39 2.643 9.711 6.616 1.00 0.26 H new ATOM 0 HB3 LYS A 39 1.404 9.169 7.731 1.00 0.26 H new ATOM 0 HG2 LYS A 39 1.223 7.011 6.337 1.00 0.95 H new ATOM 0 HG3 LYS A 39 2.625 7.549 5.434 1.00 0.95 H new ATOM 0 HD2 LYS A 39 4.001 7.598 7.478 1.00 1.03 H new ATOM 0 HD3 LYS A 39 2.602 7.273 8.482 1.00 1.03 H new ATOM 0 HE2 LYS A 39 2.326 5.046 7.544 1.00 1.72 H new ATOM 0 HE3 LYS A 39 3.462 5.374 6.251 1.00 1.72 H new ATOM 0 HZ1 LYS A 39 4.484 4.061 8.002 1.00 1.93 H new ATOM 0 HZ2 LYS A 39 5.238 5.579 7.900 1.00 1.93 H new ATOM 0 HZ3 LYS A 39 4.137 5.260 9.153 1.00 1.93 H new ATOM 601 N PRO A 40 -0.778 10.890 7.175 1.00 0.20 N ATOM 602 CA PRO A 40 -2.014 11.161 7.920 1.00 0.36 C ATOM 603 C PRO A 40 -3.226 11.154 6.975 1.00 0.40 C ATOM 604 O PRO A 40 -4.349 11.343 7.396 1.00 0.52 O ATOM 605 CB PRO A 40 -1.807 12.540 8.558 1.00 0.44 C ATOM 606 CG PRO A 40 -0.327 12.948 8.292 1.00 0.37 C ATOM 607 CD PRO A 40 0.247 11.947 7.271 1.00 0.18 C ATOM 0 HA PRO A 40 -2.215 10.401 8.675 1.00 0.36 H new ATOM 0 HB2 PRO A 40 -2.492 13.271 8.127 1.00 0.44 H new ATOM 0 HB3 PRO A 40 -2.011 12.504 9.628 1.00 0.44 H new ATOM 0 HG2 PRO A 40 -0.272 13.966 7.905 1.00 0.37 H new ATOM 0 HG3 PRO A 40 0.250 12.927 9.217 1.00 0.37 H new ATOM 0 HD2 PRO A 40 0.420 12.421 6.305 1.00 0.18 H new ATOM 0 HD3 PRO A 40 1.203 11.544 7.605 1.00 0.18 H new ATOM 615 N PHE A 41 -2.957 10.932 5.712 1.00 0.34 N ATOM 616 CA PHE A 41 -4.063 10.879 4.707 1.00 0.43 C ATOM 617 C PHE A 41 -4.337 9.420 4.311 1.00 0.37 C ATOM 618 O PHE A 41 -5.469 8.983 4.291 1.00 0.41 O ATOM 619 CB PHE A 41 -3.648 11.685 3.476 1.00 0.48 C ATOM 620 CG PHE A 41 -3.780 13.177 3.783 1.00 0.59 C ATOM 621 CD1 PHE A 41 -2.757 13.858 4.418 1.00 0.57 C ATOM 622 CD2 PHE A 41 -4.927 13.866 3.427 1.00 0.72 C ATOM 623 CE1 PHE A 41 -2.880 15.205 4.694 1.00 0.67 C ATOM 624 CE2 PHE A 41 -5.047 15.213 3.703 1.00 0.82 C ATOM 625 CZ PHE A 41 -4.025 15.881 4.336 1.00 0.79 C ATOM 0 H PHE A 41 -2.021 10.785 5.334 1.00 0.34 H new ATOM 0 HA PHE A 41 -4.973 11.302 5.134 1.00 0.43 H new ATOM 0 HB2 PHE A 41 -2.620 11.448 3.201 1.00 0.48 H new ATOM 0 HB3 PHE A 41 -4.275 11.420 2.625 1.00 0.48 H new ATOM 0 HD1 PHE A 41 -1.856 13.333 4.700 1.00 0.57 H new ATOM 0 HD2 PHE A 41 -5.733 13.346 2.930 1.00 0.72 H new ATOM 0 HE1 PHE A 41 -2.077 15.729 5.191 1.00 0.67 H new ATOM 0 HE2 PHE A 41 -5.945 15.743 3.421 1.00 0.82 H new ATOM 0 HZ PHE A 41 -4.120 16.935 4.552 1.00 0.79 H new ATOM 635 N PHE A 42 -3.287 8.700 4.005 1.00 0.27 N ATOM 636 CA PHE A 42 -3.456 7.259 3.625 1.00 0.22 C ATOM 637 C PHE A 42 -3.495 6.407 4.892 1.00 0.17 C ATOM 638 O PHE A 42 -3.998 5.300 4.898 1.00 0.24 O ATOM 639 CB PHE A 42 -2.266 6.825 2.766 1.00 0.21 C ATOM 640 CG PHE A 42 -2.387 5.332 2.436 1.00 0.21 C ATOM 641 CD1 PHE A 42 -3.305 4.899 1.499 1.00 0.28 C ATOM 642 CD2 PHE A 42 -1.577 4.393 3.068 1.00 0.20 C ATOM 643 CE1 PHE A 42 -3.416 3.559 1.194 1.00 0.30 C ATOM 644 CE2 PHE A 42 -1.695 3.053 2.762 1.00 0.27 C ATOM 645 CZ PHE A 42 -2.612 2.637 1.826 1.00 0.30 C ATOM 0 H PHE A 42 -2.326 9.042 4.001 1.00 0.27 H new ATOM 0 HA PHE A 42 -4.383 7.131 3.066 1.00 0.22 H new ATOM 0 HB2 PHE A 42 -2.236 7.410 1.847 1.00 0.21 H new ATOM 0 HB3 PHE A 42 -1.333 7.016 3.296 1.00 0.21 H new ATOM 0 HD1 PHE A 42 -3.941 5.616 1.001 1.00 0.28 H new ATOM 0 HD2 PHE A 42 -0.853 4.715 3.801 1.00 0.20 H new ATOM 0 HE1 PHE A 42 -4.135 3.232 0.458 1.00 0.30 H new ATOM 0 HE2 PHE A 42 -1.066 2.329 3.259 1.00 0.27 H new ATOM 0 HZ PHE A 42 -2.702 1.588 1.587 1.00 0.30 H new ATOM 655 N HIS A 43 -2.956 6.957 5.934 1.00 0.18 N ATOM 656 CA HIS A 43 -2.916 6.233 7.233 1.00 0.22 C ATOM 657 C HIS A 43 -4.224 6.468 8.000 1.00 0.29 C ATOM 658 O HIS A 43 -4.528 5.776 8.949 1.00 0.39 O ATOM 659 CB HIS A 43 -1.728 6.762 8.046 1.00 0.24 C ATOM 660 CG HIS A 43 -1.406 5.790 9.181 1.00 0.34 C ATOM 661 ND1 HIS A 43 -2.189 4.915 9.617 1.00 0.39 N ATOM 662 CD2 HIS A 43 -0.248 5.654 9.932 1.00 0.42 C ATOM 663 CE1 HIS A 43 -1.659 4.245 10.554 1.00 0.48 C ATOM 664 NE2 HIS A 43 -0.416 4.646 10.826 1.00 0.51 N ATOM 0 H HIS A 43 -2.536 7.886 5.946 1.00 0.18 H new ATOM 0 HA HIS A 43 -2.802 5.162 7.063 1.00 0.22 H new ATOM 0 HB2 HIS A 43 -0.858 6.883 7.400 1.00 0.24 H new ATOM 0 HB3 HIS A 43 -1.962 7.746 8.452 1.00 0.24 H new ATOM 0 HD1 HIS A 43 -3.133 4.761 9.263 1.00 0.39 H new ATOM 0 HD2 HIS A 43 0.644 6.253 9.823 1.00 0.42 H new ATOM 0 HE1 HIS A 43 -2.158 3.440 11.074 1.00 0.48 H new ATOM 672 N SER A 44 -4.972 7.449 7.566 1.00 0.28 N ATOM 673 CA SER A 44 -6.266 7.745 8.251 1.00 0.37 C ATOM 674 C SER A 44 -7.360 6.819 7.725 1.00 0.44 C ATOM 675 O SER A 44 -8.296 6.491 8.426 1.00 0.78 O ATOM 676 CB SER A 44 -6.655 9.199 7.987 1.00 0.40 C ATOM 677 OG SER A 44 -7.922 9.341 8.613 1.00 1.62 O ATOM 0 H SER A 44 -4.746 8.053 6.775 1.00 0.28 H new ATOM 0 HA SER A 44 -6.151 7.584 9.323 1.00 0.37 H new ATOM 0 HB2 SER A 44 -5.924 9.889 8.407 1.00 0.40 H new ATOM 0 HB3 SER A 44 -6.713 9.408 6.919 1.00 0.40 H new ATOM 0 HG SER A 44 -8.247 10.258 8.490 1.00 1.62 H new ATOM 683 N LEU A 45 -7.214 6.422 6.498 1.00 0.21 N ATOM 684 CA LEU A 45 -8.228 5.508 5.896 1.00 0.21 C ATOM 685 C LEU A 45 -8.310 4.217 6.712 1.00 0.24 C ATOM 686 O LEU A 45 -9.165 3.385 6.485 1.00 0.29 O ATOM 687 CB LEU A 45 -7.812 5.175 4.463 1.00 0.20 C ATOM 688 CG LEU A 45 -7.535 6.471 3.700 1.00 0.25 C ATOM 689 CD1 LEU A 45 -7.136 6.132 2.262 1.00 0.23 C ATOM 690 CD2 LEU A 45 -8.799 7.332 3.681 1.00 0.41 C ATOM 0 H LEU A 45 -6.443 6.686 5.885 1.00 0.21 H new ATOM 0 HA LEU A 45 -9.203 5.996 5.896 1.00 0.21 H new ATOM 0 HB2 LEU A 45 -6.922 4.546 4.468 1.00 0.20 H new ATOM 0 HB3 LEU A 45 -8.600 4.609 3.966 1.00 0.20 H new ATOM 0 HG LEU A 45 -6.729 7.017 4.189 1.00 0.25 H new ATOM 0 HD11 LEU A 45 -6.937 7.052 1.713 1.00 0.23 H new ATOM 0 HD12 LEU A 45 -6.239 5.513 2.270 1.00 0.23 H new ATOM 0 HD13 LEU A 45 -7.947 5.589 1.778 1.00 0.23 H new ATOM 0 HD21 LEU A 45 -8.602 8.256 3.137 1.00 0.41 H new ATOM 0 HD22 LEU A 45 -9.604 6.786 3.189 1.00 0.41 H new ATOM 0 HD23 LEU A 45 -9.093 7.569 4.703 1.00 0.41 H new ATOM 702 N SER A 46 -7.410 4.080 7.646 1.00 0.25 N ATOM 703 CA SER A 46 -7.406 2.851 8.490 1.00 0.33 C ATOM 704 C SER A 46 -8.781 2.634 9.130 1.00 0.36 C ATOM 705 O SER A 46 -9.185 1.512 9.369 1.00 0.50 O ATOM 706 CB SER A 46 -6.354 3.005 9.588 1.00 0.34 C ATOM 707 OG SER A 46 -5.854 1.689 9.776 1.00 0.98 O ATOM 0 H SER A 46 -6.681 4.761 7.861 1.00 0.25 H new ATOM 0 HA SER A 46 -7.173 1.990 7.864 1.00 0.33 H new ATOM 0 HB2 SER A 46 -5.563 3.693 9.289 1.00 0.34 H new ATOM 0 HB3 SER A 46 -6.790 3.401 10.505 1.00 0.34 H new ATOM 0 HG SER A 46 -5.852 1.214 8.919 1.00 0.98 H new ATOM 713 N GLU A 47 -9.470 3.716 9.392 1.00 0.29 N ATOM 714 CA GLU A 47 -10.822 3.602 10.028 1.00 0.44 C ATOM 715 C GLU A 47 -11.925 3.932 9.016 1.00 0.36 C ATOM 716 O GLU A 47 -12.963 3.300 8.998 1.00 0.43 O ATOM 717 CB GLU A 47 -10.899 4.581 11.198 1.00 0.60 C ATOM 718 CG GLU A 47 -10.195 3.970 12.410 1.00 0.88 C ATOM 719 CD GLU A 47 -11.230 3.289 13.307 1.00 1.94 C ATOM 720 OE1 GLU A 47 -11.799 4.004 14.116 1.00 1.86 O ATOM 721 OE2 GLU A 47 -11.394 2.093 13.133 1.00 3.05 O ATOM 0 H GLU A 47 -9.160 4.668 9.196 1.00 0.29 H new ATOM 0 HA GLU A 47 -10.967 2.580 10.377 1.00 0.44 H new ATOM 0 HB2 GLU A 47 -10.430 5.527 10.928 1.00 0.60 H new ATOM 0 HB3 GLU A 47 -11.940 4.799 11.438 1.00 0.60 H new ATOM 0 HG2 GLU A 47 -9.447 3.247 12.084 1.00 0.88 H new ATOM 0 HG3 GLU A 47 -9.668 4.744 12.967 1.00 0.88 H new ATOM 728 N LYS A 48 -11.678 4.914 8.195 1.00 0.27 N ATOM 729 CA LYS A 48 -12.710 5.299 7.186 1.00 0.22 C ATOM 730 C LYS A 48 -13.174 4.071 6.397 1.00 0.14 C ATOM 731 O LYS A 48 -14.337 3.720 6.421 1.00 0.05 O ATOM 732 CB LYS A 48 -12.116 6.322 6.229 1.00 0.27 C ATOM 733 CG LYS A 48 -13.169 7.394 5.929 1.00 0.43 C ATOM 734 CD LYS A 48 -14.398 6.735 5.293 1.00 1.60 C ATOM 735 CE LYS A 48 -15.101 7.750 4.391 1.00 1.56 C ATOM 736 NZ LYS A 48 -14.254 8.071 3.208 1.00 2.24 N ATOM 0 H LYS A 48 -10.818 5.462 8.176 1.00 0.27 H new ATOM 0 HA LYS A 48 -13.569 5.726 7.703 1.00 0.22 H new ATOM 0 HB2 LYS A 48 -11.229 6.778 6.668 1.00 0.27 H new ATOM 0 HB3 LYS A 48 -11.800 5.835 5.306 1.00 0.27 H new ATOM 0 HG2 LYS A 48 -13.453 7.908 6.847 1.00 0.43 H new ATOM 0 HG3 LYS A 48 -12.757 8.146 5.257 1.00 0.43 H new ATOM 0 HD2 LYS A 48 -14.099 5.862 4.714 1.00 1.60 H new ATOM 0 HD3 LYS A 48 -15.080 6.385 6.068 1.00 1.60 H new ATOM 0 HE2 LYS A 48 -16.060 7.350 4.061 1.00 1.56 H new ATOM 0 HE3 LYS A 48 -15.312 8.660 4.953 1.00 1.56 H new ATOM 0 HZ1 LYS A 48 -14.863 8.313 2.400 1.00 2.24 H new ATOM 0 HZ2 LYS A 48 -13.638 8.879 3.431 1.00 2.24 H new ATOM 0 HZ3 LYS A 48 -13.669 7.246 2.966 1.00 2.24 H new ATOM 750 N TYR A 49 -12.255 3.446 5.713 1.00 0.22 N ATOM 751 CA TYR A 49 -12.631 2.243 4.915 1.00 0.14 C ATOM 752 C TYR A 49 -12.429 0.971 5.746 1.00 0.17 C ATOM 753 O TYR A 49 -11.315 0.535 5.955 1.00 0.25 O ATOM 754 CB TYR A 49 -11.755 2.177 3.666 1.00 0.19 C ATOM 755 CG TYR A 49 -12.427 2.948 2.528 1.00 0.24 C ATOM 756 CD1 TYR A 49 -13.527 2.422 1.880 1.00 0.33 C ATOM 757 CD2 TYR A 49 -11.944 4.180 2.134 1.00 0.31 C ATOM 758 CE1 TYR A 49 -14.134 3.117 0.854 1.00 0.41 C ATOM 759 CE2 TYR A 49 -12.552 4.874 1.106 1.00 0.43 C ATOM 760 CZ TYR A 49 -13.651 4.347 0.459 1.00 0.45 C ATOM 761 OH TYR A 49 -14.260 5.042 -0.567 1.00 0.57 O ATOM 0 H TYR A 49 -11.271 3.712 5.671 1.00 0.22 H new ATOM 0 HA TYR A 49 -13.681 2.316 4.631 1.00 0.14 H new ATOM 0 HB2 TYR A 49 -10.773 2.600 3.875 1.00 0.19 H new ATOM 0 HB3 TYR A 49 -11.599 1.139 3.373 1.00 0.19 H new ATOM 0 HD1 TYR A 49 -13.915 1.459 2.178 1.00 0.33 H new ATOM 0 HD2 TYR A 49 -11.085 4.604 2.633 1.00 0.31 H new ATOM 0 HE1 TYR A 49 -14.994 2.694 0.356 1.00 0.41 H new ATOM 0 HE2 TYR A 49 -12.164 5.836 0.806 1.00 0.43 H new ATOM 0 HH TYR A 49 -13.790 5.889 -0.712 1.00 0.57 H new ATOM 771 N SER A 50 -13.512 0.404 6.199 1.00 0.29 N ATOM 772 CA SER A 50 -13.401 -0.841 7.015 1.00 0.40 C ATOM 773 C SER A 50 -13.572 -2.074 6.123 1.00 0.40 C ATOM 774 O SER A 50 -13.403 -3.194 6.567 1.00 0.48 O ATOM 775 CB SER A 50 -14.489 -0.832 8.088 1.00 0.52 C ATOM 776 OG SER A 50 -15.703 -0.847 7.353 1.00 0.54 O ATOM 0 H SER A 50 -14.461 0.743 6.043 1.00 0.29 H new ATOM 0 HA SER A 50 -12.417 -0.879 7.483 1.00 0.40 H new ATOM 0 HB2 SER A 50 -14.409 -1.699 8.743 1.00 0.52 H new ATOM 0 HB3 SER A 50 -14.417 0.053 8.721 1.00 0.52 H new ATOM 0 HG SER A 50 -16.461 -0.844 7.974 1.00 0.54 H new ATOM 782 N ASN A 51 -13.905 -1.840 4.883 1.00 0.34 N ATOM 783 CA ASN A 51 -14.096 -2.982 3.940 1.00 0.39 C ATOM 784 C ASN A 51 -12.852 -3.164 3.065 1.00 0.33 C ATOM 785 O ASN A 51 -12.831 -4.010 2.191 1.00 0.39 O ATOM 786 CB ASN A 51 -15.299 -2.689 3.050 1.00 0.44 C ATOM 787 CG ASN A 51 -15.638 -3.935 2.230 1.00 0.62 C ATOM 788 OD1 ASN A 51 -15.362 -4.009 1.049 1.00 1.73 O ATOM 789 ND2 ASN A 51 -16.235 -4.937 2.815 1.00 0.61 N ATOM 0 H ASN A 51 -14.053 -0.914 4.482 1.00 0.34 H new ATOM 0 HA ASN A 51 -14.261 -3.896 4.511 1.00 0.39 H new ATOM 0 HB2 ASN A 51 -16.154 -2.397 3.660 1.00 0.44 H new ATOM 0 HB3 ASN A 51 -15.080 -1.852 2.387 1.00 0.44 H new ATOM 0 HD21 ASN A 51 -16.467 -5.775 2.281 1.00 0.61 H new ATOM 0 HD22 ASN A 51 -16.470 -4.883 3.806 1.00 0.61 H new ATOM 796 N VAL A 52 -11.845 -2.367 3.321 1.00 0.22 N ATOM 797 CA VAL A 52 -10.590 -2.471 2.511 1.00 0.19 C ATOM 798 C VAL A 52 -9.379 -2.605 3.427 1.00 0.15 C ATOM 799 O VAL A 52 -9.353 -2.046 4.506 1.00 0.19 O ATOM 800 CB VAL A 52 -10.432 -1.205 1.666 1.00 0.18 C ATOM 801 CG1 VAL A 52 -9.290 -1.398 0.662 1.00 0.21 C ATOM 802 CG2 VAL A 52 -11.730 -0.935 0.909 1.00 0.20 C ATOM 0 H VAL A 52 -11.836 -1.654 4.050 1.00 0.22 H new ATOM 0 HA VAL A 52 -10.655 -3.350 1.870 1.00 0.19 H new ATOM 0 HB VAL A 52 -10.205 -0.361 2.317 1.00 0.18 H new ATOM 0 HG11 VAL A 52 -9.178 -0.496 0.060 1.00 0.21 H new ATOM 0 HG12 VAL A 52 -8.362 -1.593 1.200 1.00 0.21 H new ATOM 0 HG13 VAL A 52 -9.517 -2.242 0.011 1.00 0.21 H new ATOM 0 HG21 VAL A 52 -11.619 -0.033 0.307 1.00 0.20 H new ATOM 0 HG22 VAL A 52 -11.955 -1.781 0.259 1.00 0.20 H new ATOM 0 HG23 VAL A 52 -12.544 -0.798 1.620 1.00 0.20 H new ATOM 812 N ILE A 53 -8.398 -3.344 2.977 1.00 0.11 N ATOM 813 CA ILE A 53 -7.172 -3.518 3.804 1.00 0.13 C ATOM 814 C ILE A 53 -6.047 -2.648 3.247 1.00 0.10 C ATOM 815 O ILE A 53 -5.838 -2.584 2.045 1.00 0.20 O ATOM 816 CB ILE A 53 -6.749 -4.982 3.789 1.00 0.18 C ATOM 817 CG1 ILE A 53 -7.669 -5.768 4.724 1.00 0.58 C ATOM 818 CG2 ILE A 53 -5.305 -5.091 4.287 1.00 0.31 C ATOM 819 CD1 ILE A 53 -7.760 -7.211 4.239 1.00 0.93 C ATOM 0 H ILE A 53 -8.394 -3.830 2.080 1.00 0.11 H new ATOM 0 HA ILE A 53 -7.382 -3.216 4.830 1.00 0.13 H new ATOM 0 HB ILE A 53 -6.817 -5.383 2.778 1.00 0.18 H new ATOM 0 HG12 ILE A 53 -7.284 -5.738 5.743 1.00 0.58 H new ATOM 0 HG13 ILE A 53 -8.660 -5.315 4.744 1.00 0.58 H new ATOM 0 HG21 ILE A 53 -4.995 -6.136 4.279 1.00 0.31 H new ATOM 0 HG22 ILE A 53 -4.650 -4.514 3.634 1.00 0.31 H new ATOM 0 HG23 ILE A 53 -5.240 -4.701 5.303 1.00 0.31 H new ATOM 0 HD11 ILE A 53 -8.415 -7.777 4.902 1.00 0.93 H new ATOM 0 HD12 ILE A 53 -8.164 -7.230 3.227 1.00 0.93 H new ATOM 0 HD13 ILE A 53 -6.766 -7.659 4.241 1.00 0.93 H new ATOM 831 N PHE A 54 -5.350 -1.998 4.138 1.00 0.21 N ATOM 832 CA PHE A 54 -4.237 -1.106 3.711 1.00 0.17 C ATOM 833 C PHE A 54 -2.913 -1.588 4.308 1.00 0.14 C ATOM 834 O PHE A 54 -2.872 -2.061 5.426 1.00 0.11 O ATOM 835 CB PHE A 54 -4.538 0.306 4.212 1.00 0.22 C ATOM 836 CG PHE A 54 -5.873 0.773 3.631 1.00 0.19 C ATOM 837 CD1 PHE A 54 -5.923 1.431 2.418 1.00 0.19 C ATOM 838 CD2 PHE A 54 -7.051 0.540 4.318 1.00 0.17 C ATOM 839 CE1 PHE A 54 -7.131 1.850 1.899 1.00 0.17 C ATOM 840 CE2 PHE A 54 -8.258 0.958 3.797 1.00 0.14 C ATOM 841 CZ PHE A 54 -8.297 1.614 2.590 1.00 0.14 C ATOM 0 H PHE A 54 -5.504 -2.047 5.145 1.00 0.21 H new ATOM 0 HA PHE A 54 -4.151 -1.117 2.624 1.00 0.17 H new ATOM 0 HB2 PHE A 54 -4.578 0.317 5.301 1.00 0.22 H new ATOM 0 HB3 PHE A 54 -3.741 0.987 3.915 1.00 0.22 H new ATOM 0 HD1 PHE A 54 -5.010 1.619 1.872 1.00 0.19 H new ATOM 0 HD2 PHE A 54 -7.025 0.028 5.268 1.00 0.17 H new ATOM 0 HE1 PHE A 54 -7.161 2.364 0.949 1.00 0.17 H new ATOM 0 HE2 PHE A 54 -9.173 0.770 4.338 1.00 0.14 H new ATOM 0 HZ PHE A 54 -9.242 1.944 2.184 1.00 0.14 H new ATOM 851 N LEU A 55 -1.861 -1.472 3.538 1.00 0.21 N ATOM 852 CA LEU A 55 -0.519 -1.902 4.043 1.00 0.19 C ATOM 853 C LEU A 55 0.508 -0.792 3.791 1.00 0.16 C ATOM 854 O LEU A 55 0.310 0.060 2.945 1.00 0.22 O ATOM 855 CB LEU A 55 -0.072 -3.180 3.321 1.00 0.16 C ATOM 856 CG LEU A 55 -1.296 -4.070 3.027 1.00 0.40 C ATOM 857 CD1 LEU A 55 -2.068 -3.533 1.821 1.00 0.65 C ATOM 858 CD2 LEU A 55 -0.818 -5.484 2.701 1.00 0.36 C ATOM 0 H LEU A 55 -1.871 -1.101 2.588 1.00 0.21 H new ATOM 0 HA LEU A 55 -0.590 -2.098 5.113 1.00 0.19 H new ATOM 0 HB2 LEU A 55 0.435 -2.924 2.391 1.00 0.16 H new ATOM 0 HB3 LEU A 55 0.645 -3.724 3.936 1.00 0.16 H new ATOM 0 HG LEU A 55 -1.946 -4.073 3.902 1.00 0.40 H new ATOM 0 HD11 LEU A 55 -2.929 -4.172 1.626 1.00 0.65 H new ATOM 0 HD12 LEU A 55 -2.409 -2.519 2.029 1.00 0.65 H new ATOM 0 HD13 LEU A 55 -1.417 -3.525 0.947 1.00 0.65 H new ATOM 0 HD21 LEU A 55 -1.678 -6.120 2.492 1.00 0.36 H new ATOM 0 HD22 LEU A 55 -0.167 -5.456 1.827 1.00 0.36 H new ATOM 0 HD23 LEU A 55 -0.267 -5.887 3.551 1.00 0.36 H new ATOM 870 N GLU A 56 1.581 -0.835 4.531 1.00 0.18 N ATOM 871 CA GLU A 56 2.648 0.201 4.366 1.00 0.15 C ATOM 872 C GLU A 56 4.018 -0.485 4.290 1.00 0.09 C ATOM 873 O GLU A 56 4.438 -1.125 5.233 1.00 0.05 O ATOM 874 CB GLU A 56 2.619 1.142 5.570 1.00 0.21 C ATOM 875 CG GLU A 56 3.491 2.364 5.273 1.00 0.41 C ATOM 876 CD GLU A 56 2.621 3.475 4.683 1.00 1.90 C ATOM 877 OE1 GLU A 56 1.725 3.896 5.395 1.00 2.33 O ATOM 878 OE2 GLU A 56 2.903 3.840 3.554 1.00 3.25 O ATOM 0 H GLU A 56 1.768 -1.541 5.243 1.00 0.18 H new ATOM 0 HA GLU A 56 2.474 0.766 3.450 1.00 0.15 H new ATOM 0 HB2 GLU A 56 1.595 1.453 5.780 1.00 0.21 H new ATOM 0 HB3 GLU A 56 2.984 0.627 6.459 1.00 0.21 H new ATOM 0 HG2 GLU A 56 3.974 2.711 6.186 1.00 0.41 H new ATOM 0 HG3 GLU A 56 4.284 2.098 4.574 1.00 0.41 H new ATOM 885 N VAL A 57 4.687 -0.335 3.170 1.00 0.13 N ATOM 886 CA VAL A 57 6.029 -0.992 3.019 1.00 0.08 C ATOM 887 C VAL A 57 7.157 0.041 3.085 1.00 0.13 C ATOM 888 O VAL A 57 7.054 1.120 2.535 1.00 0.14 O ATOM 889 CB VAL A 57 6.081 -1.715 1.673 1.00 0.01 C ATOM 890 CG1 VAL A 57 7.403 -2.479 1.563 1.00 0.28 C ATOM 891 CG2 VAL A 57 4.917 -2.701 1.589 1.00 0.27 C ATOM 0 H VAL A 57 4.370 0.205 2.365 1.00 0.13 H new ATOM 0 HA VAL A 57 6.165 -1.701 3.836 1.00 0.08 H new ATOM 0 HB VAL A 57 6.008 -0.991 0.861 1.00 0.01 H new ATOM 0 HG11 VAL A 57 7.445 -2.997 0.605 1.00 0.28 H new ATOM 0 HG12 VAL A 57 8.235 -1.779 1.634 1.00 0.28 H new ATOM 0 HG13 VAL A 57 7.471 -3.207 2.372 1.00 0.28 H new ATOM 0 HG21 VAL A 57 4.948 -3.220 0.631 1.00 0.27 H new ATOM 0 HG22 VAL A 57 4.996 -3.427 2.398 1.00 0.27 H new ATOM 0 HG23 VAL A 57 3.975 -2.160 1.678 1.00 0.27 H new ATOM 901 N ASP A 58 8.218 -0.320 3.761 1.00 0.17 N ATOM 902 CA ASP A 58 9.379 0.611 3.880 1.00 0.24 C ATOM 903 C ASP A 58 10.481 0.202 2.895 1.00 0.25 C ATOM 904 O ASP A 58 11.125 -0.812 3.068 1.00 0.21 O ATOM 905 CB ASP A 58 9.923 0.545 5.306 1.00 0.27 C ATOM 906 CG ASP A 58 10.913 1.692 5.525 1.00 0.32 C ATOM 907 OD1 ASP A 58 11.047 2.476 4.600 1.00 1.43 O ATOM 908 OD2 ASP A 58 11.480 1.719 6.604 1.00 1.01 O ATOM 0 H ASP A 58 8.330 -1.217 4.234 1.00 0.17 H new ATOM 0 HA ASP A 58 9.056 1.626 3.650 1.00 0.24 H new ATOM 0 HB2 ASP A 58 9.105 0.614 6.023 1.00 0.27 H new ATOM 0 HB3 ASP A 58 10.415 -0.413 5.475 1.00 0.27 H new ATOM 913 N VAL A 59 10.672 1.002 1.883 1.00 0.32 N ATOM 914 CA VAL A 59 11.725 0.671 0.875 1.00 0.36 C ATOM 915 C VAL A 59 13.119 0.780 1.503 1.00 0.40 C ATOM 916 O VAL A 59 14.119 0.672 0.820 1.00 0.68 O ATOM 917 CB VAL A 59 11.616 1.644 -0.298 1.00 0.40 C ATOM 918 CG1 VAL A 59 10.253 1.470 -0.971 1.00 0.32 C ATOM 919 CG2 VAL A 59 11.741 3.080 0.220 1.00 0.44 C ATOM 0 H VAL A 59 10.152 1.862 1.709 1.00 0.32 H new ATOM 0 HA VAL A 59 11.578 -0.351 0.527 1.00 0.36 H new ATOM 0 HB VAL A 59 12.411 1.442 -1.016 1.00 0.40 H new ATOM 0 HG11 VAL A 59 10.170 2.162 -1.809 1.00 0.32 H new ATOM 0 HG12 VAL A 59 10.155 0.447 -1.334 1.00 0.32 H new ATOM 0 HG13 VAL A 59 9.462 1.677 -0.250 1.00 0.32 H new ATOM 0 HG21 VAL A 59 11.664 3.776 -0.615 1.00 0.44 H new ATOM 0 HG22 VAL A 59 10.942 3.280 0.934 1.00 0.44 H new ATOM 0 HG23 VAL A 59 12.706 3.207 0.710 1.00 0.44 H new ATOM 929 N ASP A 60 13.155 0.992 2.788 1.00 0.34 N ATOM 930 CA ASP A 60 14.476 1.113 3.473 1.00 0.38 C ATOM 931 C ASP A 60 14.910 -0.246 4.033 1.00 0.41 C ATOM 932 O ASP A 60 16.016 -0.691 3.795 1.00 0.46 O ATOM 933 CB ASP A 60 14.355 2.120 4.615 1.00 0.36 C ATOM 934 CG ASP A 60 15.738 2.685 4.941 1.00 0.70 C ATOM 935 OD1 ASP A 60 16.109 3.633 4.268 1.00 1.57 O ATOM 936 OD2 ASP A 60 16.348 2.137 5.846 1.00 0.19 O ATOM 0 H ASP A 60 12.337 1.086 3.391 1.00 0.34 H new ATOM 0 HA ASP A 60 15.223 1.451 2.755 1.00 0.38 H new ATOM 0 HB2 ASP A 60 13.678 2.926 4.334 1.00 0.36 H new ATOM 0 HB3 ASP A 60 13.930 1.639 5.496 1.00 0.36 H new ATOM 941 N ASP A 61 14.027 -0.875 4.763 1.00 0.37 N ATOM 942 CA ASP A 61 14.369 -2.206 5.354 1.00 0.40 C ATOM 943 C ASP A 61 13.738 -3.337 4.534 1.00 0.41 C ATOM 944 O ASP A 61 14.188 -4.466 4.585 1.00 0.61 O ATOM 945 CB ASP A 61 13.839 -2.265 6.785 1.00 0.39 C ATOM 946 CG ASP A 61 14.312 -3.562 7.444 1.00 0.59 C ATOM 947 OD1 ASP A 61 15.487 -3.608 7.768 1.00 1.47 O ATOM 948 OD2 ASP A 61 13.471 -4.435 7.587 1.00 0.36 O ATOM 0 H ASP A 61 13.091 -0.530 4.975 1.00 0.37 H new ATOM 0 HA ASP A 61 15.452 -2.330 5.346 1.00 0.40 H new ATOM 0 HB2 ASP A 61 14.193 -1.405 7.352 1.00 0.39 H new ATOM 0 HB3 ASP A 61 12.750 -2.220 6.784 1.00 0.39 H new ATOM 953 N CYS A 62 12.710 -3.008 3.794 1.00 0.22 N ATOM 954 CA CYS A 62 12.028 -4.051 2.967 1.00 0.20 C ATOM 955 C CYS A 62 12.372 -3.873 1.486 1.00 0.19 C ATOM 956 O CYS A 62 11.497 -3.840 0.645 1.00 0.30 O ATOM 957 CB CYS A 62 10.518 -3.918 3.153 1.00 0.22 C ATOM 958 SG CYS A 62 9.919 -3.497 4.809 1.00 0.18 S ATOM 0 H CYS A 62 12.315 -2.070 3.726 1.00 0.22 H new ATOM 0 HA CYS A 62 12.365 -5.037 3.287 1.00 0.20 H new ATOM 0 HB2 CYS A 62 10.159 -3.157 2.461 1.00 0.22 H new ATOM 0 HB3 CYS A 62 10.057 -4.861 2.857 1.00 0.22 H new ATOM 0 HG CYS A 62 8.621 -3.421 4.795 1.00 0.18 H new ATOM 964 N GLN A 63 13.639 -3.761 1.199 1.00 0.33 N ATOM 965 CA GLN A 63 14.050 -3.590 -0.218 1.00 0.39 C ATOM 966 C GLN A 63 13.719 -4.853 -1.015 1.00 0.37 C ATOM 967 O GLN A 63 13.739 -4.849 -2.230 1.00 0.41 O ATOM 968 CB GLN A 63 15.552 -3.323 -0.280 1.00 0.50 C ATOM 969 CG GLN A 63 15.787 -1.816 -0.401 1.00 1.14 C ATOM 970 CD GLN A 63 17.290 -1.537 -0.422 1.00 1.17 C ATOM 971 OE1 GLN A 63 18.035 -2.140 -1.169 1.00 1.68 O ATOM 972 NE2 GLN A 63 17.778 -0.630 0.380 1.00 1.41 N ATOM 0 H GLN A 63 14.400 -3.780 1.878 1.00 0.33 H new ATOM 0 HA GLN A 63 13.510 -2.747 -0.650 1.00 0.39 H new ATOM 0 HB2 GLN A 63 16.040 -3.709 0.615 1.00 0.50 H new ATOM 0 HB3 GLN A 63 15.992 -3.842 -1.132 1.00 0.50 H new ATOM 0 HG2 GLN A 63 15.323 -1.436 -1.311 1.00 1.14 H new ATOM 0 HG3 GLN A 63 15.321 -1.296 0.436 1.00 1.14 H new ATOM 0 HE21 GLN A 63 17.159 -0.120 1.010 1.00 1.41 H new ATOM 0 HE22 GLN A 63 18.778 -0.431 0.377 1.00 1.41 H new ATOM 981 N ASP A 64 13.423 -5.909 -0.312 1.00 0.35 N ATOM 982 CA ASP A 64 13.089 -7.180 -1.005 1.00 0.39 C ATOM 983 C ASP A 64 11.713 -7.075 -1.655 1.00 0.34 C ATOM 984 O ASP A 64 11.544 -7.376 -2.819 1.00 0.34 O ATOM 985 CB ASP A 64 13.093 -8.325 0.009 1.00 0.42 C ATOM 986 CG ASP A 64 12.552 -7.821 1.350 1.00 0.13 C ATOM 987 OD1 ASP A 64 13.287 -7.086 1.990 1.00 1.43 O ATOM 988 OD2 ASP A 64 11.434 -8.199 1.659 1.00 1.43 O ATOM 0 H ASP A 64 13.398 -5.946 0.707 1.00 0.35 H new ATOM 0 HA ASP A 64 13.832 -7.373 -1.779 1.00 0.39 H new ATOM 0 HB2 ASP A 64 12.481 -9.150 -0.355 1.00 0.42 H new ATOM 0 HB3 ASP A 64 14.105 -8.710 0.135 1.00 0.42 H new ATOM 993 N VAL A 65 10.763 -6.650 -0.883 1.00 0.30 N ATOM 994 CA VAL A 65 9.387 -6.503 -1.421 1.00 0.26 C ATOM 995 C VAL A 65 9.351 -5.404 -2.475 1.00 0.21 C ATOM 996 O VAL A 65 8.755 -5.557 -3.520 1.00 0.19 O ATOM 997 CB VAL A 65 8.448 -6.150 -0.286 1.00 0.21 C ATOM 998 CG1 VAL A 65 7.003 -6.393 -0.729 1.00 0.23 C ATOM 999 CG2 VAL A 65 8.759 -7.035 0.923 1.00 0.22 C ATOM 0 H VAL A 65 10.877 -6.397 0.099 1.00 0.30 H new ATOM 0 HA VAL A 65 9.076 -7.441 -1.881 1.00 0.26 H new ATOM 0 HB VAL A 65 8.579 -5.102 -0.017 1.00 0.21 H new ATOM 0 HG11 VAL A 65 6.325 -6.140 0.086 1.00 0.23 H new ATOM 0 HG12 VAL A 65 6.778 -5.770 -1.595 1.00 0.23 H new ATOM 0 HG13 VAL A 65 6.875 -7.443 -0.994 1.00 0.23 H new ATOM 0 HG21 VAL A 65 8.085 -6.783 1.741 1.00 0.22 H new ATOM 0 HG22 VAL A 65 8.625 -8.082 0.652 1.00 0.22 H new ATOM 0 HG23 VAL A 65 9.789 -6.871 1.238 1.00 0.22 H new ATOM 1009 N ALA A 66 9.989 -4.318 -2.176 1.00 0.21 N ATOM 1010 CA ALA A 66 10.014 -3.199 -3.150 1.00 0.18 C ATOM 1011 C ALA A 66 10.670 -3.671 -4.440 1.00 0.21 C ATOM 1012 O ALA A 66 10.116 -3.549 -5.513 1.00 0.33 O ATOM 1013 CB ALA A 66 10.810 -2.035 -2.561 1.00 0.17 C ATOM 0 H ALA A 66 10.493 -4.154 -1.305 1.00 0.21 H new ATOM 0 HA ALA A 66 8.997 -2.870 -3.362 1.00 0.18 H new ATOM 0 HB1 ALA A 66 10.831 -1.211 -3.274 1.00 0.17 H new ATOM 0 HB2 ALA A 66 10.339 -1.703 -1.636 1.00 0.17 H new ATOM 0 HB3 ALA A 66 11.829 -2.360 -2.352 1.00 0.17 H new ATOM 1019 N SER A 67 11.835 -4.212 -4.299 1.00 0.12 N ATOM 1020 CA SER A 67 12.562 -4.711 -5.497 1.00 0.15 C ATOM 1021 C SER A 67 11.659 -5.644 -6.295 1.00 0.15 C ATOM 1022 O SER A 67 11.793 -5.780 -7.495 1.00 0.35 O ATOM 1023 CB SER A 67 13.803 -5.473 -5.048 1.00 0.35 C ATOM 1024 OG SER A 67 13.299 -6.476 -4.182 1.00 2.43 O ATOM 0 H SER A 67 12.321 -4.333 -3.410 1.00 0.12 H new ATOM 0 HA SER A 67 12.852 -3.867 -6.123 1.00 0.15 H new ATOM 0 HB2 SER A 67 14.332 -5.908 -5.896 1.00 0.35 H new ATOM 0 HB3 SER A 67 14.508 -4.820 -4.534 1.00 0.35 H new ATOM 0 HG SER A 67 12.423 -6.202 -3.839 1.00 2.43 H new ATOM 1030 N GLU A 68 10.757 -6.262 -5.602 1.00 0.15 N ATOM 1031 CA GLU A 68 9.820 -7.197 -6.277 1.00 0.16 C ATOM 1032 C GLU A 68 8.997 -6.438 -7.306 1.00 0.20 C ATOM 1033 O GLU A 68 8.845 -6.867 -8.433 1.00 0.43 O ATOM 1034 CB GLU A 68 8.896 -7.825 -5.233 1.00 0.33 C ATOM 1035 CG GLU A 68 8.410 -9.180 -5.745 1.00 0.34 C ATOM 1036 CD GLU A 68 7.668 -8.985 -7.068 1.00 1.73 C ATOM 1037 OE1 GLU A 68 6.564 -8.472 -6.999 1.00 2.60 O ATOM 1038 OE2 GLU A 68 8.248 -9.362 -8.073 1.00 2.31 O ATOM 0 H GLU A 68 10.624 -6.163 -4.596 1.00 0.15 H new ATOM 0 HA GLU A 68 10.383 -7.982 -6.781 1.00 0.16 H new ATOM 0 HB2 GLU A 68 9.425 -7.948 -4.288 1.00 0.33 H new ATOM 0 HB3 GLU A 68 8.047 -7.170 -5.040 1.00 0.33 H new ATOM 0 HG2 GLU A 68 9.256 -9.853 -5.885 1.00 0.34 H new ATOM 0 HG3 GLU A 68 7.752 -9.644 -5.011 1.00 0.34 H new ATOM 1045 N CYS A 69 8.484 -5.326 -6.891 1.00 0.14 N ATOM 1046 CA CYS A 69 7.678 -4.495 -7.823 1.00 0.22 C ATOM 1047 C CYS A 69 8.617 -3.640 -8.678 1.00 0.26 C ATOM 1048 O CYS A 69 8.183 -2.807 -9.450 1.00 0.43 O ATOM 1049 CB CYS A 69 6.748 -3.593 -7.012 1.00 0.27 C ATOM 1050 SG CYS A 69 5.224 -4.332 -6.372 1.00 0.64 S ATOM 0 H CYS A 69 8.585 -4.952 -5.948 1.00 0.14 H new ATOM 0 HA CYS A 69 7.083 -5.136 -8.474 1.00 0.22 H new ATOM 0 HB2 CYS A 69 7.313 -3.199 -6.167 1.00 0.27 H new ATOM 0 HB3 CYS A 69 6.474 -2.743 -7.636 1.00 0.27 H new ATOM 0 HG CYS A 69 4.660 -3.510 -5.538 1.00 0.64 H new ATOM 1056 N GLU A 70 9.893 -3.871 -8.513 1.00 0.25 N ATOM 1057 CA GLU A 70 10.894 -3.095 -9.301 1.00 0.41 C ATOM 1058 C GLU A 70 10.591 -1.598 -9.218 1.00 0.44 C ATOM 1059 O GLU A 70 10.570 -0.913 -10.222 1.00 0.55 O ATOM 1060 CB GLU A 70 10.842 -3.549 -10.759 1.00 0.53 C ATOM 1061 CG GLU A 70 12.053 -2.988 -11.507 1.00 1.42 C ATOM 1062 CD GLU A 70 11.628 -2.578 -12.919 1.00 1.78 C ATOM 1063 OE1 GLU A 70 11.420 -3.486 -13.706 1.00 1.50 O ATOM 1064 OE2 GLU A 70 11.536 -1.380 -13.130 1.00 2.72 O ATOM 0 H GLU A 70 10.283 -4.560 -7.870 1.00 0.25 H new ATOM 0 HA GLU A 70 11.888 -3.273 -8.892 1.00 0.41 H new ATOM 0 HB2 GLU A 70 10.839 -4.638 -10.813 1.00 0.53 H new ATOM 0 HB3 GLU A 70 9.920 -3.204 -11.227 1.00 0.53 H new ATOM 0 HG2 GLU A 70 12.459 -2.129 -10.973 1.00 1.42 H new ATOM 0 HG3 GLU A 70 12.844 -3.736 -11.555 1.00 1.42 H new ATOM 1071 N VAL A 71 10.363 -1.118 -8.027 1.00 0.36 N ATOM 1072 CA VAL A 71 10.063 0.338 -7.881 1.00 0.38 C ATOM 1073 C VAL A 71 11.361 1.145 -7.823 1.00 0.54 C ATOM 1074 O VAL A 71 12.381 0.654 -7.384 1.00 0.69 O ATOM 1075 CB VAL A 71 9.272 0.576 -6.602 1.00 0.22 C ATOM 1076 CG1 VAL A 71 8.210 1.638 -6.863 1.00 0.22 C ATOM 1077 CG2 VAL A 71 8.588 -0.722 -6.175 1.00 0.18 C ATOM 0 H VAL A 71 10.370 -1.658 -7.161 1.00 0.36 H new ATOM 0 HA VAL A 71 9.478 0.659 -8.743 1.00 0.38 H new ATOM 0 HB VAL A 71 9.946 0.909 -5.813 1.00 0.22 H new ATOM 0 HG11 VAL A 71 7.639 1.814 -5.951 1.00 0.22 H new ATOM 0 HG12 VAL A 71 8.691 2.565 -7.174 1.00 0.22 H new ATOM 0 HG13 VAL A 71 7.539 1.296 -7.651 1.00 0.22 H new ATOM 0 HG21 VAL A 71 8.022 -0.551 -5.259 1.00 0.18 H new ATOM 0 HG22 VAL A 71 7.912 -1.053 -6.963 1.00 0.18 H new ATOM 0 HG23 VAL A 71 9.342 -1.489 -5.998 1.00 0.18 H new ATOM 1087 N LYS A 72 11.284 2.371 -8.262 1.00 0.55 N ATOM 1088 CA LYS A 72 12.497 3.242 -8.247 1.00 0.70 C ATOM 1089 C LYS A 72 12.112 4.662 -7.815 1.00 0.61 C ATOM 1090 O LYS A 72 12.830 5.608 -8.076 1.00 0.67 O ATOM 1091 CB LYS A 72 13.104 3.290 -9.655 1.00 0.89 C ATOM 1092 CG LYS A 72 13.578 1.886 -10.066 1.00 1.32 C ATOM 1093 CD LYS A 72 14.889 2.007 -10.852 1.00 1.38 C ATOM 1094 CE LYS A 72 16.030 2.386 -9.899 1.00 1.87 C ATOM 1095 NZ LYS A 72 16.720 3.615 -10.381 1.00 1.99 N ATOM 0 H LYS A 72 10.438 2.808 -8.629 1.00 0.55 H new ATOM 0 HA LYS A 72 13.224 2.835 -7.544 1.00 0.70 H new ATOM 0 HB2 LYS A 72 12.365 3.657 -10.367 1.00 0.89 H new ATOM 0 HB3 LYS A 72 13.941 3.987 -9.676 1.00 0.89 H new ATOM 0 HG2 LYS A 72 13.726 1.266 -9.182 1.00 1.32 H new ATOM 0 HG3 LYS A 72 12.818 1.396 -10.675 1.00 1.32 H new ATOM 0 HD2 LYS A 72 15.115 1.063 -11.348 1.00 1.38 H new ATOM 0 HD3 LYS A 72 14.788 2.761 -11.632 1.00 1.38 H new ATOM 0 HE2 LYS A 72 15.636 2.552 -8.896 1.00 1.87 H new ATOM 0 HE3 LYS A 72 16.743 1.564 -9.829 1.00 1.87 H new ATOM 0 HZ1 LYS A 72 17.490 3.860 -9.726 1.00 1.99 H new ATOM 0 HZ2 LYS A 72 17.112 3.444 -11.329 1.00 1.99 H new ATOM 0 HZ3 LYS A 72 16.040 4.400 -10.425 1.00 1.99 H new ATOM 1109 N CYS A 73 10.987 4.782 -7.163 1.00 0.49 N ATOM 1110 CA CYS A 73 10.547 6.135 -6.712 1.00 0.41 C ATOM 1111 C CYS A 73 9.400 6.019 -5.715 1.00 0.39 C ATOM 1112 O CYS A 73 8.535 5.177 -5.852 1.00 0.60 O ATOM 1113 CB CYS A 73 10.091 6.947 -7.923 1.00 0.39 C ATOM 1114 SG CYS A 73 9.220 6.060 -9.239 1.00 0.51 S ATOM 0 H CYS A 73 10.360 4.013 -6.925 1.00 0.49 H new ATOM 0 HA CYS A 73 11.384 6.634 -6.224 1.00 0.41 H new ATOM 0 HB2 CYS A 73 9.441 7.746 -7.567 1.00 0.39 H new ATOM 0 HB3 CYS A 73 10.969 7.422 -8.361 1.00 0.39 H new ATOM 0 HG CYS A 73 8.902 6.892 -10.186 1.00 0.51 H new ATOM 1120 N THR A 74 9.430 6.878 -4.732 1.00 0.17 N ATOM 1121 CA THR A 74 8.361 6.866 -3.695 1.00 0.12 C ATOM 1122 C THR A 74 7.721 8.268 -3.612 1.00 0.12 C ATOM 1123 O THR A 74 8.353 9.249 -3.950 1.00 0.15 O ATOM 1124 CB THR A 74 9.004 6.516 -2.348 1.00 0.12 C ATOM 1125 OG1 THR A 74 10.272 7.166 -2.379 1.00 0.18 O ATOM 1126 CG2 THR A 74 9.321 5.028 -2.253 1.00 0.21 C ATOM 0 H THR A 74 10.150 7.588 -4.603 1.00 0.17 H new ATOM 0 HA THR A 74 7.593 6.134 -3.946 1.00 0.12 H new ATOM 0 HB THR A 74 8.342 6.801 -1.530 1.00 0.12 H new ATOM 0 HG1 THR A 74 10.750 6.990 -1.542 1.00 0.18 H new ATOM 0 HG21 THR A 74 9.776 4.814 -1.286 1.00 0.21 H new ATOM 0 HG22 THR A 74 8.401 4.453 -2.357 1.00 0.21 H new ATOM 0 HG23 THR A 74 10.013 4.752 -3.048 1.00 0.21 H new ATOM 1134 N PRO A 75 6.474 8.348 -3.165 1.00 0.09 N ATOM 1135 CA PRO A 75 5.651 7.187 -2.760 1.00 0.07 C ATOM 1136 C PRO A 75 5.081 6.461 -3.991 1.00 0.09 C ATOM 1137 O PRO A 75 4.780 7.086 -4.995 1.00 0.08 O ATOM 1138 CB PRO A 75 4.497 7.794 -1.956 1.00 0.06 C ATOM 1139 CG PRO A 75 4.554 9.338 -2.168 1.00 0.08 C ATOM 1140 CD PRO A 75 5.825 9.643 -2.983 1.00 0.10 C ATOM 0 HA PRO A 75 6.234 6.459 -2.196 1.00 0.07 H new ATOM 0 HB2 PRO A 75 3.541 7.394 -2.293 1.00 0.06 H new ATOM 0 HB3 PRO A 75 4.592 7.546 -0.899 1.00 0.06 H new ATOM 0 HG2 PRO A 75 3.666 9.686 -2.696 1.00 0.08 H new ATOM 0 HG3 PRO A 75 4.579 9.857 -1.210 1.00 0.08 H new ATOM 0 HD2 PRO A 75 5.579 10.100 -3.942 1.00 0.10 H new ATOM 0 HD3 PRO A 75 6.475 10.340 -2.455 1.00 0.10 H new ATOM 1148 N THR A 76 4.946 5.160 -3.885 1.00 0.15 N ATOM 1149 CA THR A 76 4.389 4.377 -5.027 1.00 0.18 C ATOM 1150 C THR A 76 3.231 3.508 -4.531 1.00 0.20 C ATOM 1151 O THR A 76 3.402 2.682 -3.659 1.00 0.22 O ATOM 1152 CB THR A 76 5.487 3.492 -5.617 1.00 0.21 C ATOM 1153 OG1 THR A 76 6.349 4.396 -6.301 1.00 0.29 O ATOM 1154 CG2 THR A 76 4.942 2.564 -6.698 1.00 0.30 C ATOM 0 H THR A 76 5.196 4.612 -3.062 1.00 0.15 H new ATOM 0 HA THR A 76 4.023 5.057 -5.796 1.00 0.18 H new ATOM 0 HB THR A 76 5.949 2.898 -4.829 1.00 0.21 H new ATOM 0 HG1 THR A 76 7.226 4.406 -5.863 1.00 0.29 H new ATOM 0 HG21 THR A 76 5.752 1.951 -7.093 1.00 0.30 H new ATOM 0 HG22 THR A 76 4.174 1.919 -6.271 1.00 0.30 H new ATOM 0 HG23 THR A 76 4.510 3.158 -7.503 1.00 0.30 H new ATOM 1162 N PHE A 77 2.075 3.714 -5.097 1.00 0.19 N ATOM 1163 CA PHE A 77 0.895 2.917 -4.655 1.00 0.20 C ATOM 1164 C PHE A 77 0.687 1.698 -5.546 1.00 0.24 C ATOM 1165 O PHE A 77 0.793 1.782 -6.754 1.00 0.30 O ATOM 1166 CB PHE A 77 -0.340 3.797 -4.698 1.00 0.19 C ATOM 1167 CG PHE A 77 -0.314 4.733 -3.496 1.00 0.16 C ATOM 1168 CD1 PHE A 77 -0.691 4.270 -2.252 1.00 0.10 C ATOM 1169 CD2 PHE A 77 0.084 6.053 -3.633 1.00 0.31 C ATOM 1170 CE1 PHE A 77 -0.674 5.112 -1.158 1.00 0.12 C ATOM 1171 CE2 PHE A 77 0.104 6.892 -2.538 1.00 0.29 C ATOM 1172 CZ PHE A 77 -0.275 6.422 -1.302 1.00 0.13 C ATOM 0 H PHE A 77 1.896 4.391 -5.838 1.00 0.19 H new ATOM 0 HA PHE A 77 1.073 2.565 -3.639 1.00 0.20 H new ATOM 0 HB2 PHE A 77 -0.363 4.372 -5.624 1.00 0.19 H new ATOM 0 HB3 PHE A 77 -1.241 3.184 -4.681 1.00 0.19 H new ATOM 0 HD1 PHE A 77 -1.001 3.242 -2.133 1.00 0.10 H new ATOM 0 HD2 PHE A 77 0.380 6.427 -4.602 1.00 0.31 H new ATOM 0 HE1 PHE A 77 -0.974 4.743 -0.188 1.00 0.12 H new ATOM 0 HE2 PHE A 77 0.418 7.919 -2.651 1.00 0.29 H new ATOM 0 HZ PHE A 77 -0.260 7.080 -0.446 1.00 0.13 H new ATOM 1182 N GLN A 78 0.393 0.590 -4.919 1.00 0.19 N ATOM 1183 CA GLN A 78 0.163 -0.670 -5.693 1.00 0.23 C ATOM 1184 C GLN A 78 -1.190 -1.290 -5.326 1.00 0.22 C ATOM 1185 O GLN A 78 -1.670 -1.132 -4.221 1.00 0.18 O ATOM 1186 CB GLN A 78 1.282 -1.648 -5.374 1.00 0.23 C ATOM 1187 CG GLN A 78 1.984 -2.071 -6.670 1.00 0.69 C ATOM 1188 CD GLN A 78 2.756 -0.879 -7.243 1.00 1.12 C ATOM 1189 OE1 GLN A 78 2.189 0.017 -7.835 1.00 2.51 O ATOM 1190 NE2 GLN A 78 4.051 -0.833 -7.091 1.00 0.82 N ATOM 0 H GLN A 78 0.302 0.501 -3.907 1.00 0.19 H new ATOM 0 HA GLN A 78 0.155 -0.443 -6.759 1.00 0.23 H new ATOM 0 HB2 GLN A 78 1.999 -1.186 -4.695 1.00 0.23 H new ATOM 0 HB3 GLN A 78 0.879 -2.523 -4.865 1.00 0.23 H new ATOM 0 HG2 GLN A 78 2.665 -2.899 -6.474 1.00 0.69 H new ATOM 0 HG3 GLN A 78 1.251 -2.426 -7.394 1.00 0.69 H new ATOM 0 HE21 GLN A 78 4.533 -1.582 -6.595 1.00 0.82 H new ATOM 0 HE22 GLN A 78 4.581 -0.048 -7.468 1.00 0.82 H new ATOM 1199 N PHE A 79 -1.769 -1.986 -6.275 1.00 0.28 N ATOM 1200 CA PHE A 79 -3.103 -2.628 -6.034 1.00 0.29 C ATOM 1201 C PHE A 79 -2.980 -4.157 -6.141 1.00 0.27 C ATOM 1202 O PHE A 79 -2.558 -4.669 -7.161 1.00 0.31 O ATOM 1203 CB PHE A 79 -4.091 -2.134 -7.104 1.00 0.38 C ATOM 1204 CG PHE A 79 -4.508 -0.678 -6.825 1.00 0.40 C ATOM 1205 CD1 PHE A 79 -3.570 0.347 -6.825 1.00 0.35 C ATOM 1206 CD2 PHE A 79 -5.837 -0.367 -6.571 1.00 0.48 C ATOM 1207 CE1 PHE A 79 -3.959 1.650 -6.573 1.00 0.36 C ATOM 1208 CE2 PHE A 79 -6.217 0.935 -6.321 1.00 0.51 C ATOM 1209 CZ PHE A 79 -5.281 1.941 -6.322 1.00 0.44 C ATOM 0 H PHE A 79 -1.378 -2.138 -7.205 1.00 0.28 H new ATOM 0 HA PHE A 79 -3.455 -2.364 -5.037 1.00 0.29 H new ATOM 0 HB2 PHE A 79 -3.632 -2.204 -8.090 1.00 0.38 H new ATOM 0 HB3 PHE A 79 -4.973 -2.775 -7.116 1.00 0.38 H new ATOM 0 HD1 PHE A 79 -2.532 0.125 -7.023 1.00 0.35 H new ATOM 0 HD2 PHE A 79 -6.580 -1.151 -6.569 1.00 0.48 H new ATOM 0 HE1 PHE A 79 -3.224 2.441 -6.573 1.00 0.36 H new ATOM 0 HE2 PHE A 79 -7.254 1.165 -6.124 1.00 0.51 H new ATOM 0 HZ PHE A 79 -5.582 2.959 -6.126 1.00 0.44 H new ATOM 1219 N PHE A 80 -3.352 -4.856 -5.088 1.00 0.23 N ATOM 1220 CA PHE A 80 -3.270 -6.354 -5.124 1.00 0.21 C ATOM 1221 C PHE A 80 -4.654 -6.954 -4.850 1.00 0.21 C ATOM 1222 O PHE A 80 -5.407 -6.438 -4.049 1.00 0.22 O ATOM 1223 CB PHE A 80 -2.286 -6.831 -4.055 1.00 0.16 C ATOM 1224 CG PHE A 80 -0.853 -6.547 -4.512 1.00 0.19 C ATOM 1225 CD1 PHE A 80 -0.253 -7.328 -5.485 1.00 0.18 C ATOM 1226 CD2 PHE A 80 -0.137 -5.505 -3.952 1.00 0.24 C ATOM 1227 CE1 PHE A 80 1.042 -7.067 -5.888 1.00 0.24 C ATOM 1228 CE2 PHE A 80 1.157 -5.249 -4.357 1.00 0.29 C ATOM 1229 CZ PHE A 80 1.744 -6.030 -5.321 1.00 0.29 C ATOM 0 H PHE A 80 -3.704 -4.459 -4.217 1.00 0.23 H new ATOM 0 HA PHE A 80 -2.928 -6.676 -6.108 1.00 0.21 H new ATOM 0 HB2 PHE A 80 -2.485 -6.323 -3.111 1.00 0.16 H new ATOM 0 HB3 PHE A 80 -2.417 -7.898 -3.877 1.00 0.16 H new ATOM 0 HD1 PHE A 80 -0.800 -8.145 -5.931 1.00 0.18 H new ATOM 0 HD2 PHE A 80 -0.594 -4.887 -3.193 1.00 0.24 H new ATOM 0 HE1 PHE A 80 1.504 -7.678 -6.649 1.00 0.24 H new ATOM 0 HE2 PHE A 80 1.709 -4.433 -3.915 1.00 0.29 H new ATOM 0 HZ PHE A 80 2.758 -5.830 -5.634 1.00 0.29 H new ATOM 1239 N LYS A 81 -4.961 -8.027 -5.526 1.00 0.21 N ATOM 1240 CA LYS A 81 -6.293 -8.670 -5.313 1.00 0.21 C ATOM 1241 C LYS A 81 -6.187 -10.184 -5.508 1.00 0.33 C ATOM 1242 O LYS A 81 -5.541 -10.651 -6.423 1.00 0.38 O ATOM 1243 CB LYS A 81 -7.293 -8.096 -6.316 1.00 0.25 C ATOM 1244 CG LYS A 81 -8.711 -8.458 -5.870 1.00 0.25 C ATOM 1245 CD LYS A 81 -9.714 -7.826 -6.836 1.00 0.42 C ATOM 1246 CE LYS A 81 -11.113 -7.885 -6.218 1.00 0.27 C ATOM 1247 NZ LYS A 81 -11.167 -7.076 -4.968 1.00 2.11 N ATOM 0 H LYS A 81 -4.357 -8.484 -6.209 1.00 0.21 H new ATOM 0 HA LYS A 81 -6.629 -8.468 -4.296 1.00 0.21 H new ATOM 0 HB2 LYS A 81 -7.183 -7.013 -6.379 1.00 0.25 H new ATOM 0 HB3 LYS A 81 -7.098 -8.495 -7.312 1.00 0.25 H new ATOM 0 HG2 LYS A 81 -8.835 -9.541 -5.853 1.00 0.25 H new ATOM 0 HG3 LYS A 81 -8.889 -8.101 -4.856 1.00 0.25 H new ATOM 0 HD2 LYS A 81 -9.437 -6.792 -7.041 1.00 0.42 H new ATOM 0 HD3 LYS A 81 -9.702 -8.355 -7.789 1.00 0.42 H new ATOM 0 HE2 LYS A 81 -11.848 -7.512 -6.931 1.00 0.27 H new ATOM 0 HE3 LYS A 81 -11.377 -8.920 -6.000 1.00 0.27 H new ATOM 0 HZ1 LYS A 81 -12.124 -6.688 -4.847 1.00 2.11 H new ATOM 0 HZ2 LYS A 81 -10.933 -7.679 -4.154 1.00 2.11 H new ATOM 0 HZ3 LYS A 81 -10.482 -6.296 -5.030 1.00 2.11 H new ATOM 1261 N LYS A 82 -6.831 -10.920 -4.644 1.00 0.48 N ATOM 1262 CA LYS A 82 -6.773 -12.407 -4.760 1.00 0.69 C ATOM 1263 C LYS A 82 -5.315 -12.872 -4.830 1.00 0.65 C ATOM 1264 O LYS A 82 -5.039 -14.019 -5.120 1.00 0.82 O ATOM 1265 CB LYS A 82 -7.517 -12.845 -6.022 1.00 0.82 C ATOM 1266 CG LYS A 82 -8.990 -13.069 -5.680 1.00 1.20 C ATOM 1267 CD LYS A 82 -9.772 -13.336 -6.964 1.00 1.82 C ATOM 1268 CE LYS A 82 -11.230 -13.634 -6.609 1.00 2.00 C ATOM 1269 NZ LYS A 82 -11.346 -14.973 -5.965 1.00 1.18 N ATOM 0 H LYS A 82 -7.390 -10.562 -3.870 1.00 0.48 H new ATOM 0 HA LYS A 82 -7.243 -12.855 -3.885 1.00 0.69 H new ATOM 0 HB2 LYS A 82 -7.422 -12.085 -6.798 1.00 0.82 H new ATOM 0 HB3 LYS A 82 -7.079 -13.761 -6.418 1.00 0.82 H new ATOM 0 HG2 LYS A 82 -9.092 -13.912 -4.997 1.00 1.20 H new ATOM 0 HG3 LYS A 82 -9.394 -12.194 -5.170 1.00 1.20 H new ATOM 0 HD2 LYS A 82 -9.715 -12.472 -7.626 1.00 1.82 H new ATOM 0 HD3 LYS A 82 -9.336 -14.178 -7.502 1.00 1.82 H new ATOM 0 HE2 LYS A 82 -11.611 -12.866 -5.936 1.00 2.00 H new ATOM 0 HE3 LYS A 82 -11.844 -13.602 -7.509 1.00 2.00 H new ATOM 0 HZ1 LYS A 82 -12.337 -15.286 -5.991 1.00 1.18 H new ATOM 0 HZ2 LYS A 82 -10.753 -15.657 -6.477 1.00 1.18 H new ATOM 0 HZ3 LYS A 82 -11.029 -14.911 -4.977 1.00 1.18 H new ATOM 1283 N GLY A 83 -4.413 -11.965 -4.562 1.00 0.45 N ATOM 1284 CA GLY A 83 -2.967 -12.333 -4.601 1.00 0.44 C ATOM 1285 C GLY A 83 -2.369 -12.028 -5.976 1.00 0.39 C ATOM 1286 O GLY A 83 -1.390 -12.631 -6.373 1.00 0.57 O ATOM 0 H GLY A 83 -4.612 -10.994 -4.320 1.00 0.45 H new ATOM 0 HA2 GLY A 83 -2.425 -11.781 -3.833 1.00 0.44 H new ATOM 0 HA3 GLY A 83 -2.850 -13.393 -4.375 1.00 0.44 H new ATOM 1290 N GLN A 84 -2.964 -11.092 -6.671 1.00 0.22 N ATOM 1291 CA GLN A 84 -2.445 -10.736 -8.028 1.00 0.26 C ATOM 1292 C GLN A 84 -2.481 -9.220 -8.235 1.00 0.27 C ATOM 1293 O GLN A 84 -3.426 -8.559 -7.849 1.00 0.28 O ATOM 1294 CB GLN A 84 -3.314 -11.409 -9.094 1.00 0.35 C ATOM 1295 CG GLN A 84 -3.276 -12.929 -8.900 1.00 0.93 C ATOM 1296 CD GLN A 84 -3.370 -13.615 -10.264 1.00 1.09 C ATOM 1297 OE1 GLN A 84 -2.708 -14.601 -10.522 1.00 2.15 O ATOM 1298 NE2 GLN A 84 -4.180 -13.129 -11.165 1.00 0.83 N ATOM 0 H GLN A 84 -3.779 -10.563 -6.362 1.00 0.22 H new ATOM 0 HA GLN A 84 -1.414 -11.080 -8.111 1.00 0.26 H new ATOM 0 HB2 GLN A 84 -4.340 -11.048 -9.023 1.00 0.35 H new ATOM 0 HB3 GLN A 84 -2.953 -11.150 -10.089 1.00 0.35 H new ATOM 0 HG2 GLN A 84 -2.354 -13.220 -8.396 1.00 0.93 H new ATOM 0 HG3 GLN A 84 -4.101 -13.247 -8.263 1.00 0.93 H new ATOM 0 HE21 GLN A 84 -4.739 -12.302 -10.955 1.00 0.83 H new ATOM 0 HE22 GLN A 84 -4.254 -13.577 -12.079 1.00 0.83 H new ATOM 1307 N LYS A 85 -1.448 -8.704 -8.840 1.00 0.29 N ATOM 1308 CA LYS A 85 -1.402 -7.239 -9.092 1.00 0.32 C ATOM 1309 C LYS A 85 -2.404 -6.873 -10.193 1.00 0.35 C ATOM 1310 O LYS A 85 -2.416 -7.484 -11.243 1.00 0.47 O ATOM 1311 CB LYS A 85 0.015 -6.863 -9.535 1.00 0.33 C ATOM 1312 CG LYS A 85 0.138 -5.330 -9.625 1.00 0.35 C ATOM 1313 CD LYS A 85 1.594 -4.898 -9.363 1.00 0.30 C ATOM 1314 CE LYS A 85 2.468 -5.271 -10.567 1.00 0.62 C ATOM 1315 NZ LYS A 85 3.679 -6.014 -10.118 1.00 1.45 N ATOM 0 H LYS A 85 -0.639 -9.230 -9.169 1.00 0.29 H new ATOM 0 HA LYS A 85 -1.663 -6.696 -8.184 1.00 0.32 H new ATOM 0 HB2 LYS A 85 0.745 -7.256 -8.827 1.00 0.33 H new ATOM 0 HB3 LYS A 85 0.236 -7.313 -10.503 1.00 0.33 H new ATOM 0 HG2 LYS A 85 -0.179 -4.989 -10.611 1.00 0.35 H new ATOM 0 HG3 LYS A 85 -0.525 -4.861 -8.898 1.00 0.35 H new ATOM 0 HD2 LYS A 85 1.639 -3.823 -9.188 1.00 0.30 H new ATOM 0 HD3 LYS A 85 1.971 -5.384 -8.463 1.00 0.30 H new ATOM 0 HE2 LYS A 85 1.896 -5.883 -11.264 1.00 0.62 H new ATOM 0 HE3 LYS A 85 2.764 -4.369 -11.103 1.00 0.62 H new ATOM 0 HZ1 LYS A 85 4.261 -6.260 -10.944 1.00 1.45 H new ATOM 0 HZ2 LYS A 85 4.232 -5.417 -9.470 1.00 1.45 H new ATOM 0 HZ3 LYS A 85 3.390 -6.884 -9.627 1.00 1.45 H new ATOM 1329 N VAL A 86 -3.220 -5.882 -9.925 1.00 0.27 N ATOM 1330 CA VAL A 86 -4.240 -5.466 -10.940 1.00 0.29 C ATOM 1331 C VAL A 86 -4.123 -3.968 -11.248 1.00 0.28 C ATOM 1332 O VAL A 86 -4.654 -3.494 -12.233 1.00 0.17 O ATOM 1333 CB VAL A 86 -5.633 -5.765 -10.388 1.00 0.29 C ATOM 1334 CG1 VAL A 86 -5.914 -7.264 -10.524 1.00 0.32 C ATOM 1335 CG2 VAL A 86 -5.682 -5.377 -8.909 1.00 0.26 C ATOM 0 H VAL A 86 -3.225 -5.347 -9.056 1.00 0.27 H new ATOM 0 HA VAL A 86 -4.070 -6.020 -11.863 1.00 0.29 H new ATOM 0 HB VAL A 86 -6.380 -5.197 -10.942 1.00 0.29 H new ATOM 0 HG11 VAL A 86 -6.907 -7.485 -10.132 1.00 0.32 H new ATOM 0 HG12 VAL A 86 -5.867 -7.549 -11.575 1.00 0.32 H new ATOM 0 HG13 VAL A 86 -5.168 -7.826 -9.962 1.00 0.32 H new ATOM 0 HG21 VAL A 86 -6.674 -5.588 -8.510 1.00 0.26 H new ATOM 0 HG22 VAL A 86 -4.939 -5.952 -8.357 1.00 0.26 H new ATOM 0 HG23 VAL A 86 -5.468 -4.313 -8.805 1.00 0.26 H new ATOM 1345 N GLY A 87 -3.434 -3.254 -10.402 1.00 0.39 N ATOM 1346 CA GLY A 87 -3.283 -1.789 -10.645 1.00 0.39 C ATOM 1347 C GLY A 87 -2.018 -1.258 -9.973 1.00 0.38 C ATOM 1348 O GLY A 87 -1.510 -1.852 -9.043 1.00 0.45 O ATOM 0 H GLY A 87 -2.975 -3.613 -9.565 1.00 0.39 H new ATOM 0 HA2 GLY A 87 -3.240 -1.596 -11.717 1.00 0.39 H new ATOM 0 HA3 GLY A 87 -4.155 -1.260 -10.260 1.00 0.39 H new ATOM 1352 N GLU A 88 -1.532 -0.148 -10.460 1.00 0.31 N ATOM 1353 CA GLU A 88 -0.304 0.434 -9.850 1.00 0.30 C ATOM 1354 C GLU A 88 -0.026 1.828 -10.420 1.00 0.29 C ATOM 1355 O GLU A 88 0.105 2.003 -11.615 1.00 0.31 O ATOM 1356 CB GLU A 88 0.879 -0.480 -10.158 1.00 0.30 C ATOM 1357 CG GLU A 88 0.673 -1.121 -11.532 1.00 1.21 C ATOM 1358 CD GLU A 88 2.031 -1.527 -12.108 1.00 1.10 C ATOM 1359 OE1 GLU A 88 2.940 -1.660 -11.306 1.00 0.73 O ATOM 1360 OE2 GLU A 88 2.081 -1.681 -13.317 1.00 1.97 O ATOM 0 H GLU A 88 -1.926 0.374 -11.243 1.00 0.31 H new ATOM 0 HA GLU A 88 -0.449 0.521 -8.773 1.00 0.30 H new ATOM 0 HB2 GLU A 88 1.808 0.090 -10.145 1.00 0.30 H new ATOM 0 HB3 GLU A 88 0.967 -1.251 -9.393 1.00 0.30 H new ATOM 0 HG2 GLU A 88 0.026 -1.994 -11.446 1.00 1.21 H new ATOM 0 HG3 GLU A 88 0.175 -0.420 -12.202 1.00 1.21 H new ATOM 1367 N PHE A 89 0.058 2.790 -9.544 1.00 0.27 N ATOM 1368 CA PHE A 89 0.343 4.174 -9.994 1.00 0.27 C ATOM 1369 C PHE A 89 1.078 4.940 -8.886 1.00 0.20 C ATOM 1370 O PHE A 89 0.719 4.852 -7.727 1.00 0.16 O ATOM 1371 CB PHE A 89 -0.980 4.846 -10.333 1.00 0.30 C ATOM 1372 CG PHE A 89 -1.599 5.489 -9.087 1.00 0.23 C ATOM 1373 CD1 PHE A 89 -1.151 6.714 -8.623 1.00 0.16 C ATOM 1374 CD2 PHE A 89 -2.624 4.849 -8.410 1.00 0.28 C ATOM 1375 CE1 PHE A 89 -1.719 7.286 -7.503 1.00 0.15 C ATOM 1376 CE2 PHE A 89 -3.190 5.423 -7.293 1.00 0.30 C ATOM 1377 CZ PHE A 89 -2.738 6.640 -6.839 1.00 0.25 C ATOM 0 H PHE A 89 -0.059 2.674 -8.537 1.00 0.27 H new ATOM 0 HA PHE A 89 0.983 4.166 -10.876 1.00 0.27 H new ATOM 0 HB2 PHE A 89 -0.822 5.605 -11.099 1.00 0.30 H new ATOM 0 HB3 PHE A 89 -1.670 4.112 -10.750 1.00 0.30 H new ATOM 0 HD1 PHE A 89 -0.352 7.225 -9.141 1.00 0.16 H new ATOM 0 HD2 PHE A 89 -2.982 3.892 -8.761 1.00 0.28 H new ATOM 0 HE1 PHE A 89 -1.364 8.242 -7.147 1.00 0.15 H new ATOM 0 HE2 PHE A 89 -3.990 4.917 -6.773 1.00 0.30 H new ATOM 0 HZ PHE A 89 -3.182 7.089 -5.963 1.00 0.25 H new ATOM 1387 N SER A 90 2.096 5.671 -9.271 1.00 0.20 N ATOM 1388 CA SER A 90 2.887 6.433 -8.255 1.00 0.17 C ATOM 1389 C SER A 90 2.613 7.934 -8.354 1.00 0.13 C ATOM 1390 O SER A 90 2.077 8.409 -9.337 1.00 0.21 O ATOM 1391 CB SER A 90 4.373 6.173 -8.491 1.00 0.23 C ATOM 1392 OG SER A 90 4.661 6.873 -9.693 1.00 0.27 O ATOM 0 H SER A 90 2.411 5.773 -10.236 1.00 0.20 H new ATOM 0 HA SER A 90 2.593 6.098 -7.260 1.00 0.17 H new ATOM 0 HB2 SER A 90 4.978 6.539 -7.662 1.00 0.23 H new ATOM 0 HB3 SER A 90 4.580 5.108 -8.591 1.00 0.23 H new ATOM 0 HG SER A 90 5.608 6.759 -9.919 1.00 0.27 H new ATOM 1398 N GLY A 91 2.996 8.647 -7.322 1.00 0.15 N ATOM 1399 CA GLY A 91 2.775 10.124 -7.312 1.00 0.17 C ATOM 1400 C GLY A 91 2.138 10.556 -5.989 1.00 0.17 C ATOM 1401 O GLY A 91 1.212 9.932 -5.509 1.00 0.21 O ATOM 0 H GLY A 91 3.450 8.270 -6.490 1.00 0.15 H new ATOM 0 HA2 GLY A 91 3.724 10.642 -7.453 1.00 0.17 H new ATOM 0 HA3 GLY A 91 2.130 10.408 -8.144 1.00 0.17 H new ATOM 1405 N ALA A 92 2.648 11.618 -5.424 1.00 0.18 N ATOM 1406 CA ALA A 92 2.078 12.105 -4.132 1.00 0.20 C ATOM 1407 C ALA A 92 0.658 12.635 -4.351 1.00 0.20 C ATOM 1408 O ALA A 92 0.469 13.785 -4.698 1.00 0.37 O ATOM 1409 CB ALA A 92 2.964 13.223 -3.584 1.00 0.24 C ATOM 0 H ALA A 92 3.425 12.164 -5.795 1.00 0.18 H new ATOM 0 HA ALA A 92 2.041 11.281 -3.420 1.00 0.20 H new ATOM 0 HB1 ALA A 92 2.554 13.583 -2.641 1.00 0.24 H new ATOM 0 HB2 ALA A 92 3.971 12.841 -3.419 1.00 0.24 H new ATOM 0 HB3 ALA A 92 3.000 14.043 -4.301 1.00 0.24 H new ATOM 1415 N ASN A 93 -0.310 11.786 -4.145 1.00 0.78 N ATOM 1416 CA ASN A 93 -1.723 12.223 -4.344 1.00 0.80 C ATOM 1417 C ASN A 93 -2.657 11.450 -3.403 1.00 0.81 C ATOM 1418 O ASN A 93 -2.438 10.287 -3.131 1.00 1.05 O ATOM 1419 CB ASN A 93 -2.123 11.952 -5.793 1.00 0.80 C ATOM 1420 CG ASN A 93 -3.173 12.974 -6.232 1.00 0.81 C ATOM 1421 OD1 ASN A 93 -3.074 13.566 -7.288 1.00 0.93 O ATOM 1422 ND2 ASN A 93 -4.192 13.208 -5.454 1.00 0.79 N ATOM 0 H ASN A 93 -0.188 10.817 -3.850 1.00 0.78 H new ATOM 0 HA ASN A 93 -1.806 13.287 -4.123 1.00 0.80 H new ATOM 0 HB2 ASN A 93 -1.248 12.013 -6.440 1.00 0.80 H new ATOM 0 HB3 ASN A 93 -2.521 10.942 -5.889 1.00 0.80 H new ATOM 0 HD21 ASN A 93 -4.902 13.886 -5.733 1.00 0.79 H new ATOM 0 HD22 ASN A 93 -4.280 12.714 -4.566 1.00 0.79 H new ATOM 1429 N LYS A 94 -3.679 12.121 -2.929 1.00 0.66 N ATOM 1430 CA LYS A 94 -4.648 11.450 -2.004 1.00 0.68 C ATOM 1431 C LYS A 94 -6.009 11.301 -2.688 1.00 0.55 C ATOM 1432 O LYS A 94 -6.477 10.203 -2.914 1.00 0.33 O ATOM 1433 CB LYS A 94 -4.809 12.297 -0.740 1.00 0.79 C ATOM 1434 CG LYS A 94 -3.461 12.942 -0.387 1.00 0.56 C ATOM 1435 CD LYS A 94 -3.372 14.338 -1.018 1.00 0.56 C ATOM 1436 CE LYS A 94 -3.914 15.374 -0.026 1.00 1.40 C ATOM 1437 NZ LYS A 94 -5.162 14.879 0.619 1.00 2.58 N ATOM 0 H LYS A 94 -3.884 13.098 -3.140 1.00 0.66 H new ATOM 0 HA LYS A 94 -4.268 10.462 -1.744 1.00 0.68 H new ATOM 0 HB2 LYS A 94 -5.564 13.067 -0.898 1.00 0.79 H new ATOM 0 HB3 LYS A 94 -5.156 11.676 0.086 1.00 0.79 H new ATOM 0 HG2 LYS A 94 -3.354 13.015 0.695 1.00 0.56 H new ATOM 0 HG3 LYS A 94 -2.643 12.317 -0.747 1.00 0.56 H new ATOM 0 HD2 LYS A 94 -2.338 14.569 -1.275 1.00 0.56 H new ATOM 0 HD3 LYS A 94 -3.945 14.369 -1.944 1.00 0.56 H new ATOM 0 HE2 LYS A 94 -3.163 15.584 0.736 1.00 1.40 H new ATOM 0 HE3 LYS A 94 -4.113 16.312 -0.544 1.00 1.40 H new ATOM 0 HZ1 LYS A 94 -5.588 15.642 1.183 1.00 2.58 H new ATOM 0 HZ2 LYS A 94 -5.834 14.573 -0.114 1.00 2.58 H new ATOM 0 HZ3 LYS A 94 -4.937 14.075 1.239 1.00 2.58 H new ATOM 1451 N GLU A 95 -6.614 12.414 -3.008 1.00 0.77 N ATOM 1452 CA GLU A 95 -7.943 12.365 -3.680 1.00 0.70 C ATOM 1453 C GLU A 95 -7.914 11.339 -4.814 1.00 0.47 C ATOM 1454 O GLU A 95 -8.943 10.899 -5.286 1.00 0.44 O ATOM 1455 CB GLU A 95 -8.260 13.747 -4.252 1.00 0.81 C ATOM 1456 CG GLU A 95 -9.759 13.840 -4.550 1.00 1.90 C ATOM 1457 CD GLU A 95 -9.976 14.748 -5.764 1.00 2.09 C ATOM 1458 OE1 GLU A 95 -9.629 15.911 -5.640 1.00 1.56 O ATOM 1459 OE2 GLU A 95 -10.478 14.226 -6.747 1.00 3.30 O ATOM 0 H GLU A 95 -6.247 13.350 -2.834 1.00 0.77 H new ATOM 0 HA GLU A 95 -8.707 12.076 -2.958 1.00 0.70 H new ATOM 0 HB2 GLU A 95 -7.970 14.522 -3.543 1.00 0.81 H new ATOM 0 HB3 GLU A 95 -7.685 13.917 -5.162 1.00 0.81 H new ATOM 0 HG2 GLU A 95 -10.165 12.848 -4.746 1.00 1.90 H new ATOM 0 HG3 GLU A 95 -10.290 14.237 -3.685 1.00 1.90 H new ATOM 1466 N LYS A 96 -6.730 10.984 -5.225 1.00 0.40 N ATOM 1467 CA LYS A 96 -6.601 9.989 -6.329 1.00 0.28 C ATOM 1468 C LYS A 96 -6.921 8.581 -5.802 1.00 0.15 C ATOM 1469 O LYS A 96 -7.769 7.895 -6.335 1.00 0.10 O ATOM 1470 CB LYS A 96 -5.162 10.033 -6.866 1.00 0.54 C ATOM 1471 CG LYS A 96 -5.036 9.134 -8.113 1.00 0.61 C ATOM 1472 CD LYS A 96 -5.669 9.829 -9.333 1.00 0.84 C ATOM 1473 CE LYS A 96 -6.755 8.924 -9.915 1.00 2.18 C ATOM 1474 NZ LYS A 96 -6.167 7.637 -10.380 1.00 3.10 N ATOM 0 H LYS A 96 -5.850 11.336 -4.848 1.00 0.40 H new ATOM 0 HA LYS A 96 -7.301 10.229 -7.129 1.00 0.28 H new ATOM 0 HB2 LYS A 96 -4.890 11.058 -7.118 1.00 0.54 H new ATOM 0 HB3 LYS A 96 -4.467 9.699 -6.095 1.00 0.54 H new ATOM 0 HG2 LYS A 96 -3.986 8.919 -8.311 1.00 0.61 H new ATOM 0 HG3 LYS A 96 -5.528 8.178 -7.933 1.00 0.61 H new ATOM 0 HD2 LYS A 96 -6.096 10.788 -9.040 1.00 0.84 H new ATOM 0 HD3 LYS A 96 -4.908 10.035 -10.085 1.00 0.84 H new ATOM 0 HE2 LYS A 96 -7.518 8.731 -9.161 1.00 2.18 H new ATOM 0 HE3 LYS A 96 -7.249 9.427 -10.747 1.00 2.18 H new ATOM 0 HZ1 LYS A 96 -6.601 7.364 -11.285 1.00 3.10 H new ATOM 0 HZ2 LYS A 96 -5.141 7.750 -10.508 1.00 3.10 H new ATOM 0 HZ3 LYS A 96 -6.348 6.897 -9.672 1.00 3.10 H new ATOM 1488 N LEU A 97 -6.231 8.182 -4.766 1.00 0.17 N ATOM 1489 CA LEU A 97 -6.482 6.822 -4.195 1.00 0.20 C ATOM 1490 C LEU A 97 -7.975 6.635 -3.917 1.00 0.18 C ATOM 1491 O LEU A 97 -8.510 5.564 -4.102 1.00 0.38 O ATOM 1492 CB LEU A 97 -5.703 6.659 -2.878 1.00 0.47 C ATOM 1493 CG LEU A 97 -4.216 7.006 -3.088 1.00 0.29 C ATOM 1494 CD1 LEU A 97 -3.588 7.389 -1.744 1.00 0.32 C ATOM 1495 CD2 LEU A 97 -3.477 5.781 -3.642 1.00 0.74 C ATOM 0 H LEU A 97 -5.512 8.730 -4.294 1.00 0.17 H new ATOM 0 HA LEU A 97 -6.151 6.074 -4.915 1.00 0.20 H new ATOM 0 HB2 LEU A 97 -6.130 7.307 -2.113 1.00 0.47 H new ATOM 0 HB3 LEU A 97 -5.797 5.635 -2.517 1.00 0.47 H new ATOM 0 HG LEU A 97 -4.137 7.837 -3.789 1.00 0.29 H new ATOM 0 HD11 LEU A 97 -2.536 7.635 -1.891 1.00 0.32 H new ATOM 0 HD12 LEU A 97 -4.109 8.254 -1.332 1.00 0.32 H new ATOM 0 HD13 LEU A 97 -3.672 6.551 -1.051 1.00 0.32 H new ATOM 0 HD21 LEU A 97 -2.425 6.027 -3.790 1.00 0.74 H new ATOM 0 HD22 LEU A 97 -3.560 4.955 -2.935 1.00 0.74 H new ATOM 0 HD23 LEU A 97 -3.919 5.489 -4.595 1.00 0.74 H new ATOM 1507 N GLU A 98 -8.617 7.681 -3.475 1.00 0.10 N ATOM 1508 CA GLU A 98 -10.076 7.571 -3.184 1.00 0.18 C ATOM 1509 C GLU A 98 -10.815 7.030 -4.406 1.00 0.19 C ATOM 1510 O GLU A 98 -11.319 5.926 -4.395 1.00 0.28 O ATOM 1511 CB GLU A 98 -10.621 8.952 -2.821 1.00 0.25 C ATOM 1512 CG GLU A 98 -12.064 8.817 -2.327 1.00 0.45 C ATOM 1513 CD GLU A 98 -12.107 9.065 -0.819 1.00 1.60 C ATOM 1514 OE1 GLU A 98 -11.572 8.224 -0.116 1.00 2.76 O ATOM 1515 OE2 GLU A 98 -12.673 10.083 -0.454 1.00 1.68 O ATOM 0 H GLU A 98 -8.202 8.597 -3.304 1.00 0.10 H new ATOM 0 HA GLU A 98 -10.227 6.885 -2.350 1.00 0.18 H new ATOM 0 HB2 GLU A 98 -10.002 9.408 -2.048 1.00 0.25 H new ATOM 0 HB3 GLU A 98 -10.582 9.610 -3.689 1.00 0.25 H new ATOM 0 HG2 GLU A 98 -12.706 9.531 -2.843 1.00 0.45 H new ATOM 0 HG3 GLU A 98 -12.447 7.822 -2.555 1.00 0.45 H new ATOM 1522 N ALA A 99 -10.862 7.819 -5.430 1.00 0.15 N ATOM 1523 CA ALA A 99 -11.561 7.369 -6.670 1.00 0.21 C ATOM 1524 C ALA A 99 -10.989 6.025 -7.134 1.00 0.23 C ATOM 1525 O ALA A 99 -11.722 5.088 -7.386 1.00 0.46 O ATOM 1526 CB ALA A 99 -11.361 8.415 -7.765 1.00 0.18 C ATOM 0 H ALA A 99 -10.452 8.752 -5.471 1.00 0.15 H new ATOM 0 HA ALA A 99 -12.625 7.249 -6.463 1.00 0.21 H new ATOM 0 HB1 ALA A 99 -11.869 8.092 -8.674 1.00 0.18 H new ATOM 0 HB2 ALA A 99 -11.775 9.369 -7.437 1.00 0.18 H new ATOM 0 HB3 ALA A 99 -10.296 8.532 -7.967 1.00 0.18 H new ATOM 1532 N THR A 100 -9.688 5.960 -7.234 1.00 0.09 N ATOM 1533 CA THR A 100 -9.049 4.687 -7.678 1.00 0.12 C ATOM 1534 C THR A 100 -9.627 3.506 -6.895 1.00 0.09 C ATOM 1535 O THR A 100 -9.956 2.485 -7.466 1.00 0.14 O ATOM 1536 CB THR A 100 -7.538 4.772 -7.443 1.00 0.14 C ATOM 1537 OG1 THR A 100 -7.193 6.113 -7.779 1.00 0.17 O ATOM 1538 CG2 THR A 100 -6.765 3.900 -8.427 1.00 0.32 C ATOM 0 H THR A 100 -9.045 6.725 -7.030 1.00 0.09 H new ATOM 0 HA THR A 100 -9.248 4.536 -8.739 1.00 0.12 H new ATOM 0 HB THR A 100 -7.304 4.463 -6.424 1.00 0.14 H new ATOM 0 HG1 THR A 100 -7.362 6.697 -7.010 1.00 0.17 H new ATOM 0 HG21 THR A 100 -5.697 3.987 -8.229 1.00 0.32 H new ATOM 0 HG22 THR A 100 -7.072 2.861 -8.311 1.00 0.32 H new ATOM 0 HG23 THR A 100 -6.973 4.229 -9.445 1.00 0.32 H new ATOM 1546 N ILE A 101 -9.734 3.660 -5.602 1.00 0.05 N ATOM 1547 CA ILE A 101 -10.301 2.549 -4.788 1.00 0.09 C ATOM 1548 C ILE A 101 -11.701 2.232 -5.293 1.00 0.14 C ATOM 1549 O ILE A 101 -12.112 1.090 -5.331 1.00 0.24 O ATOM 1550 CB ILE A 101 -10.356 2.960 -3.312 1.00 0.13 C ATOM 1551 CG1 ILE A 101 -8.976 2.745 -2.679 1.00 0.17 C ATOM 1552 CG2 ILE A 101 -11.388 2.094 -2.583 1.00 0.19 C ATOM 1553 CD1 ILE A 101 -8.786 3.733 -1.521 1.00 0.63 C ATOM 0 H ILE A 101 -9.458 4.493 -5.082 1.00 0.05 H new ATOM 0 HA ILE A 101 -9.670 1.665 -4.881 1.00 0.09 H new ATOM 0 HB ILE A 101 -10.639 4.010 -3.232 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.886 1.721 -2.316 1.00 0.17 H new ATOM 0 HG13 ILE A 101 -8.195 2.889 -3.426 1.00 0.17 H new ATOM 0 HG21 ILE A 101 -11.430 2.384 -1.533 1.00 0.19 H new ATOM 0 HG22 ILE A 101 -12.368 2.236 -3.038 1.00 0.19 H new ATOM 0 HG23 ILE A 101 -11.101 1.045 -2.659 1.00 0.19 H new ATOM 0 HD11 ILE A 101 -7.805 3.581 -1.070 1.00 0.63 H new ATOM 0 HD12 ILE A 101 -8.858 4.753 -1.898 1.00 0.63 H new ATOM 0 HD13 ILE A 101 -9.560 3.568 -0.771 1.00 0.63 H new ATOM 1565 N ASN A 102 -12.397 3.256 -5.677 1.00 0.08 N ATOM 1566 CA ASN A 102 -13.771 3.050 -6.208 1.00 0.13 C ATOM 1567 C ASN A 102 -13.691 2.202 -7.475 1.00 0.26 C ATOM 1568 O ASN A 102 -14.673 1.637 -7.917 1.00 0.40 O ATOM 1569 CB ASN A 102 -14.392 4.407 -6.537 1.00 0.06 C ATOM 1570 CG ASN A 102 -15.870 4.397 -6.146 1.00 0.59 C ATOM 1571 OD1 ASN A 102 -16.547 3.395 -6.257 1.00 0.56 O ATOM 1572 ND2 ASN A 102 -16.408 5.493 -5.682 1.00 1.20 N ATOM 0 H ASN A 102 -12.079 4.225 -5.648 1.00 0.08 H new ATOM 0 HA ASN A 102 -14.386 2.542 -5.465 1.00 0.13 H new ATOM 0 HB2 ASN A 102 -13.868 5.199 -6.001 1.00 0.06 H new ATOM 0 HB3 ASN A 102 -14.287 4.619 -7.601 1.00 0.06 H new ATOM 0 HD21 ASN A 102 -17.392 5.504 -5.415 1.00 1.20 H new ATOM 0 HD22 ASN A 102 -15.844 6.337 -5.587 1.00 1.20 H new ATOM 1579 N GLU A 103 -12.512 2.132 -8.029 1.00 0.22 N ATOM 1580 CA GLU A 103 -12.326 1.328 -9.265 1.00 0.36 C ATOM 1581 C GLU A 103 -12.383 -0.171 -8.941 1.00 0.43 C ATOM 1582 O GLU A 103 -13.113 -0.912 -9.570 1.00 0.59 O ATOM 1583 CB GLU A 103 -10.966 1.665 -9.878 1.00 0.37 C ATOM 1584 CG GLU A 103 -11.005 1.367 -11.381 1.00 0.55 C ATOM 1585 CD GLU A 103 -11.752 2.491 -12.102 1.00 1.30 C ATOM 1586 OE1 GLU A 103 -11.428 3.630 -11.811 1.00 1.38 O ATOM 1587 OE2 GLU A 103 -12.606 2.147 -12.902 1.00 2.53 O ATOM 0 H GLU A 103 -11.673 2.596 -7.679 1.00 0.22 H new ATOM 0 HA GLU A 103 -13.124 1.564 -9.969 1.00 0.36 H new ATOM 0 HB2 GLU A 103 -10.727 2.715 -9.709 1.00 0.37 H new ATOM 0 HB3 GLU A 103 -10.182 1.079 -9.399 1.00 0.37 H new ATOM 0 HG2 GLU A 103 -9.991 1.280 -11.772 1.00 0.55 H new ATOM 0 HG3 GLU A 103 -11.500 0.413 -11.561 1.00 0.55 H new ATOM 1594 N LEU A 104 -11.611 -0.583 -7.961 1.00 0.35 N ATOM 1595 CA LEU A 104 -11.599 -2.039 -7.591 1.00 0.48 C ATOM 1596 C LEU A 104 -12.355 -2.282 -6.274 1.00 0.65 C ATOM 1597 O LEU A 104 -12.314 -3.370 -5.733 1.00 0.94 O ATOM 1598 CB LEU A 104 -10.149 -2.504 -7.424 1.00 0.32 C ATOM 1599 CG LEU A 104 -9.309 -2.012 -8.608 1.00 0.32 C ATOM 1600 CD1 LEU A 104 -7.906 -2.618 -8.504 1.00 0.30 C ATOM 1601 CD2 LEU A 104 -9.957 -2.467 -9.920 1.00 0.63 C ATOM 0 H LEU A 104 -10.997 0.015 -7.408 1.00 0.35 H new ATOM 0 HA LEU A 104 -12.093 -2.599 -8.385 1.00 0.48 H new ATOM 0 HB2 LEU A 104 -9.739 -2.120 -6.490 1.00 0.32 H new ATOM 0 HB3 LEU A 104 -10.110 -3.592 -7.365 1.00 0.32 H new ATOM 0 HG LEU A 104 -9.250 -0.924 -8.591 1.00 0.32 H new ATOM 0 HD11 LEU A 104 -7.299 -2.275 -9.342 1.00 0.30 H new ATOM 0 HD12 LEU A 104 -7.443 -2.305 -7.568 1.00 0.30 H new ATOM 0 HD13 LEU A 104 -7.977 -3.705 -8.528 1.00 0.30 H new ATOM 0 HD21 LEU A 104 -9.359 -2.117 -10.762 1.00 0.63 H new ATOM 0 HD22 LEU A 104 -10.011 -3.555 -9.941 1.00 0.63 H new ATOM 0 HD23 LEU A 104 -10.963 -2.053 -9.992 1.00 0.63 H new ATOM 1613 N VAL A 105 -13.028 -1.276 -5.785 1.00 0.51 N ATOM 1614 CA VAL A 105 -13.782 -1.463 -4.505 1.00 0.73 C ATOM 1615 C VAL A 105 -14.623 -2.742 -4.572 1.00 1.09 C ATOM 1616 O VAL A 105 -15.159 -2.983 -5.641 1.00 0.34 O ATOM 1617 CB VAL A 105 -14.698 -0.261 -4.274 1.00 0.51 C ATOM 1618 CG1 VAL A 105 -15.658 -0.118 -5.459 1.00 0.41 C ATOM 1619 CG2 VAL A 105 -15.506 -0.479 -2.990 1.00 0.48 C ATOM 1620 OXT VAL A 105 -14.680 -3.406 -3.550 1.00 2.21 O ATOM 0 H VAL A 105 -13.091 -0.348 -6.204 1.00 0.51 H new ATOM 0 HA VAL A 105 -13.072 -1.547 -3.682 1.00 0.73 H new ATOM 0 HB VAL A 105 -14.097 0.644 -4.180 1.00 0.51 H new ATOM 0 HG11 VAL A 105 -16.312 0.739 -5.296 1.00 0.41 H new ATOM 0 HG12 VAL A 105 -15.086 0.031 -6.375 1.00 0.41 H new ATOM 0 HG13 VAL A 105 -16.260 -1.022 -5.551 1.00 0.41 H new ATOM 0 HG21 VAL A 105 -16.160 0.376 -2.822 1.00 0.48 H new ATOM 0 HG22 VAL A 105 -16.108 -1.383 -3.088 1.00 0.48 H new ATOM 0 HG23 VAL A 105 -14.825 -0.586 -2.145 1.00 0.48 H new