USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 837 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 78 GLN : amide:sc= -1.5 K(o=-1.5,f=-4.6!) USER MOD Set 1.2: A 85 LYS NZ :NH3+ 160:sc= -0.0321 (180deg=0) USER MOD Set 2.1: A 81 LYS NZ :NH3+ 178:sc= 1.2 (180deg=0.986) USER MOD Set 2.2: A 82 LYS NZ :NH3+ -114:sc= -0.174 (180deg=-0.859) USER MOD Single : A 3 LYS NZ :NH3+ 166:sc=-0.00633 (180deg=-0.22) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -141:sc= -4.09! (180deg=-4.78!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.19) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 138:sc= -0.225 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 160:sc= -0.0687 (180deg=-0.502) 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 HD1:sc= -0.561 K(o=-0.56,f=-0.054) USER MOD Single : A 44 SER OG : rot 70:sc= 0.951 USER MOD Single : A 46 SER OG : rot 95:sc= 0.1 USER MOD Single : A 48 LYS NZ :NH3+ -149:sc= -0.155 (180deg=-0.885) 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= -0.0573 X(o=-0.057,f=-0.057) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot -79:sc= 0.123 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.65 USER MOD Single : A 76 THR OG1 : rot 102:sc= 0.346 USER MOD Single : A 84 GLN : amide:sc= -3.36! K(o=-3.4!,f=-0.49) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -3.54! K(o=-3.5!,f=-1.7) USER MOD Single : A 94 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.235) USER MOD Single : A 96 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00429) USER MOD Single : A 100 THR OG1 : rot 81:sc= 0.082 USER MOD Single : A 102 ASN : amide:sc= -0.771 K(o=-0.77,f=-2.8!) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 68 ASN : amide:sc= -1.87! K(o=-1.9!,f=-0.055) USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 3 -2.511 -2.199 8.875 1.00 0.20 N ATOM 37 CA LYS A 3 -1.561 -3.279 9.287 1.00 0.18 C ATOM 38 C LYS A 3 -0.168 -2.934 8.748 1.00 0.15 C ATOM 39 O LYS A 3 -0.002 -2.659 7.575 1.00 0.16 O ATOM 40 CB LYS A 3 -2.043 -4.604 8.668 1.00 0.19 C ATOM 41 CG LYS A 3 -1.185 -5.788 9.153 1.00 0.20 C ATOM 42 CD LYS A 3 -1.686 -6.286 10.514 1.00 0.81 C ATOM 43 CE LYS A 3 -0.799 -7.431 11.004 1.00 1.03 C ATOM 44 NZ LYS A 3 0.532 -6.897 11.404 1.00 1.67 N ATOM 0 HA LYS A 3 -1.520 -3.370 10.372 1.00 0.18 H new ATOM 0 HB2 LYS A 3 -3.086 -4.774 8.933 1.00 0.19 H new ATOM 0 HB3 LYS A 3 -1.997 -4.539 7.581 1.00 0.19 H new ATOM 0 HG2 LYS A 3 -1.225 -6.598 8.424 1.00 0.20 H new ATOM 0 HG3 LYS A 3 -0.142 -5.482 9.232 1.00 0.20 H new ATOM 0 HD2 LYS A 3 -1.675 -5.470 11.237 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -2.719 -6.624 10.430 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -1.270 -7.933 11.850 1.00 1.03 H new ATOM 0 HE3 LYS A 3 -0.681 -8.176 10.217 1.00 1.03 H new ATOM 0 HZ1 LYS A 3 1.045 -7.618 11.951 1.00 1.67 H new ATOM 0 HZ2 LYS A 3 1.078 -6.654 10.553 1.00 1.67 H new ATOM 0 HZ3 LYS A 3 0.403 -6.046 11.988 1.00 1.67 H new ATOM 58 N GLN A 4 0.837 -2.954 9.589 1.00 0.15 N ATOM 59 CA GLN A 4 2.220 -2.633 9.118 1.00 0.14 C ATOM 60 C GLN A 4 2.960 -3.940 8.846 1.00 0.12 C ATOM 61 O GLN A 4 3.078 -4.789 9.708 1.00 0.13 O ATOM 62 CB GLN A 4 2.967 -1.841 10.201 1.00 0.16 C ATOM 63 CG GLN A 4 4.379 -1.492 9.713 1.00 0.17 C ATOM 64 CD GLN A 4 5.110 -0.684 10.786 1.00 0.22 C ATOM 65 OE1 GLN A 4 4.879 -0.867 11.965 1.00 0.29 O ATOM 66 NE2 GLN A 4 5.992 0.210 10.427 1.00 0.31 N ATOM 0 H GLN A 4 0.759 -3.179 10.581 1.00 0.15 H new ATOM 0 HA GLN A 4 2.170 -2.034 8.209 1.00 0.14 H new ATOM 0 HB2 GLN A 4 2.420 -0.929 10.439 1.00 0.16 H new ATOM 0 HB3 GLN A 4 3.024 -2.427 11.118 1.00 0.16 H new ATOM 0 HG2 GLN A 4 4.933 -2.404 9.490 1.00 0.17 H new ATOM 0 HG3 GLN A 4 4.323 -0.919 8.788 1.00 0.17 H new ATOM 0 HE21 GLN A 4 6.187 0.365 9.438 1.00 0.31 H new ATOM 0 HE22 GLN A 4 6.485 0.753 11.136 1.00 0.31 H new ATOM 75 N ILE A 5 3.471 -4.104 7.655 1.00 0.10 N ATOM 76 CA ILE A 5 4.219 -5.348 7.317 1.00 0.10 C ATOM 77 C ILE A 5 5.715 -5.041 7.329 1.00 0.10 C ATOM 78 O ILE A 5 6.207 -4.279 6.520 1.00 0.11 O ATOM 79 CB ILE A 5 3.806 -5.802 5.922 1.00 0.11 C ATOM 80 CG1 ILE A 5 2.274 -5.874 5.823 1.00 0.13 C ATOM 81 CG2 ILE A 5 4.400 -7.172 5.639 1.00 0.15 C ATOM 82 CD1 ILE A 5 1.707 -6.712 6.978 1.00 0.19 C ATOM 0 H ILE A 5 3.401 -3.425 6.897 1.00 0.10 H new ATOM 0 HA ILE A 5 3.999 -6.133 8.041 1.00 0.10 H new ATOM 0 HB ILE A 5 4.175 -5.085 5.189 1.00 0.11 H new ATOM 0 HG12 ILE A 5 1.853 -4.869 5.852 1.00 0.13 H new ATOM 0 HG13 ILE A 5 1.984 -6.314 4.869 1.00 0.13 H new ATOM 0 HG21 ILE A 5 4.105 -7.497 4.641 1.00 0.15 H new ATOM 0 HG22 ILE A 5 5.487 -7.116 5.696 1.00 0.15 H new ATOM 0 HG23 ILE A 5 4.034 -7.886 6.377 1.00 0.15 H new ATOM 0 HD11 ILE A 5 0.621 -6.756 6.897 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.115 -7.721 6.930 1.00 0.19 H new ATOM 0 HD13 ILE A 5 1.982 -6.255 7.928 1.00 0.19 H new ATOM 94 N GLU A 6 6.446 -5.615 8.247 1.00 0.11 N ATOM 95 CA GLU A 6 7.909 -5.343 8.314 1.00 0.13 C ATOM 96 C GLU A 6 8.682 -6.439 7.576 1.00 0.12 C ATOM 97 O GLU A 6 9.892 -6.397 7.490 1.00 0.13 O ATOM 98 CB GLU A 6 8.343 -5.332 9.783 1.00 0.15 C ATOM 99 CG GLU A 6 7.575 -4.242 10.541 1.00 0.17 C ATOM 100 CD GLU A 6 6.182 -4.749 10.935 1.00 1.45 C ATOM 101 OE1 GLU A 6 5.896 -5.909 10.684 1.00 2.25 O ATOM 102 OE2 GLU A 6 5.428 -3.968 11.488 1.00 2.25 O ATOM 0 H GLU A 6 6.092 -6.260 8.953 1.00 0.11 H new ATOM 0 HA GLU A 6 8.118 -4.380 7.848 1.00 0.13 H new ATOM 0 HB2 GLU A 6 8.153 -6.305 10.235 1.00 0.15 H new ATOM 0 HB3 GLU A 6 9.416 -5.151 9.854 1.00 0.15 H new ATOM 0 HG2 GLU A 6 8.129 -3.951 11.433 1.00 0.17 H new ATOM 0 HG3 GLU A 6 7.483 -3.352 9.918 1.00 0.17 H new ATOM 109 N SER A 7 8.003 -7.421 7.036 1.00 0.12 N ATOM 110 CA SER A 7 8.733 -8.510 6.311 1.00 0.13 C ATOM 111 C SER A 7 7.837 -9.190 5.282 1.00 0.12 C ATOM 112 O SER A 7 6.627 -9.193 5.392 1.00 0.12 O ATOM 113 CB SER A 7 9.205 -9.560 7.314 1.00 0.15 C ATOM 114 OG SER A 7 8.078 -10.104 7.992 1.00 0.15 O ATOM 0 H SER A 7 6.988 -7.517 7.064 1.00 0.12 H new ATOM 0 HA SER A 7 9.581 -8.060 5.795 1.00 0.13 H new ATOM 0 HB2 SER A 7 9.751 -10.351 6.800 1.00 0.15 H new ATOM 0 HB3 SER A 7 9.893 -9.111 8.031 1.00 0.15 H new ATOM 0 HG SER A 7 8.378 -10.780 8.635 1.00 0.15 H new ATOM 120 N LYS A 8 8.439 -9.796 4.293 1.00 0.14 N ATOM 121 CA LYS A 8 7.647 -10.512 3.258 1.00 0.15 C ATOM 122 C LYS A 8 6.920 -11.671 3.924 1.00 0.15 C ATOM 123 O LYS A 8 5.838 -12.053 3.526 1.00 0.16 O ATOM 124 CB LYS A 8 8.570 -11.060 2.172 1.00 0.18 C ATOM 125 CG LYS A 8 7.729 -11.568 0.995 1.00 0.21 C ATOM 126 CD LYS A 8 8.548 -12.531 0.129 1.00 0.43 C ATOM 127 CE LYS A 8 9.856 -11.869 -0.306 1.00 0.80 C ATOM 128 NZ LYS A 8 9.563 -10.558 -0.953 1.00 1.65 N ATOM 0 H LYS A 8 9.450 -9.824 4.160 1.00 0.14 H new ATOM 0 HA LYS A 8 6.936 -9.823 2.802 1.00 0.15 H new ATOM 0 HB2 LYS A 8 9.254 -10.282 1.835 1.00 0.18 H new ATOM 0 HB3 LYS A 8 9.180 -11.869 2.573 1.00 0.18 H new ATOM 0 HG2 LYS A 8 6.838 -12.073 1.368 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.390 -10.726 0.392 1.00 0.21 H new ATOM 0 HD2 LYS A 8 8.762 -13.442 0.688 1.00 0.43 H new ATOM 0 HD3 LYS A 8 7.971 -12.823 -0.748 1.00 0.43 H new ATOM 0 HE2 LYS A 8 10.506 -11.723 0.557 1.00 0.80 H new ATOM 0 HE3 LYS A 8 10.390 -12.517 -1.001 1.00 0.80 H new ATOM 0 HZ1 LYS A 8 10.199 -10.421 -1.764 1.00 1.65 H new ATOM 0 HZ2 LYS A 8 8.576 -10.546 -1.281 1.00 1.65 H new ATOM 0 HZ3 LYS A 8 9.709 -9.791 -0.266 1.00 1.65 H new ATOM 142 N THR A 9 7.513 -12.240 4.937 1.00 0.15 N ATOM 143 CA THR A 9 6.853 -13.383 5.616 1.00 0.17 C ATOM 144 C THR A 9 5.474 -12.936 6.089 1.00 0.16 C ATOM 145 O THR A 9 4.478 -13.588 5.840 1.00 0.17 O ATOM 146 CB THR A 9 7.691 -13.823 6.822 1.00 0.19 C ATOM 147 OG1 THR A 9 8.994 -14.185 6.383 1.00 0.22 O ATOM 148 CG2 THR A 9 7.028 -15.023 7.504 1.00 0.23 C ATOM 0 H THR A 9 8.418 -11.964 5.319 1.00 0.15 H new ATOM 0 HA THR A 9 6.759 -14.221 4.926 1.00 0.17 H new ATOM 0 HB THR A 9 7.760 -13.000 7.534 1.00 0.19 H new ATOM 0 HG1 THR A 9 9.532 -14.465 7.152 1.00 0.22 H new ATOM 0 HG21 THR A 9 7.627 -15.332 8.360 1.00 0.23 H new ATOM 0 HG22 THR A 9 6.030 -14.744 7.841 1.00 0.23 H new ATOM 0 HG23 THR A 9 6.954 -15.849 6.796 1.00 0.23 H new ATOM 156 N ALA A 10 5.406 -11.817 6.749 1.00 0.15 N ATOM 157 CA ALA A 10 4.088 -11.309 7.216 1.00 0.15 C ATOM 158 C ALA A 10 3.261 -10.872 6.008 1.00 0.14 C ATOM 159 O ALA A 10 2.052 -10.943 6.016 1.00 0.15 O ATOM 160 CB ALA A 10 4.290 -10.126 8.170 1.00 0.17 C ATOM 0 H ALA A 10 6.206 -11.231 6.986 1.00 0.15 H new ATOM 0 HA ALA A 10 3.561 -12.101 7.749 1.00 0.15 H new ATOM 0 HB1 ALA A 10 3.320 -9.760 8.507 1.00 0.17 H new ATOM 0 HB2 ALA A 10 4.875 -10.449 9.031 1.00 0.17 H new ATOM 0 HB3 ALA A 10 4.819 -9.326 7.651 1.00 0.17 H new ATOM 166 N PHE A 11 3.907 -10.415 4.969 1.00 0.14 N ATOM 167 CA PHE A 11 3.155 -9.959 3.764 1.00 0.13 C ATOM 168 C PHE A 11 2.335 -11.125 3.224 1.00 0.14 C ATOM 169 O PHE A 11 1.186 -10.981 2.859 1.00 0.14 O ATOM 170 CB PHE A 11 4.166 -9.515 2.697 1.00 0.14 C ATOM 171 CG PHE A 11 3.463 -8.819 1.546 1.00 0.14 C ATOM 172 CD1 PHE A 11 2.836 -7.583 1.751 1.00 0.14 C ATOM 173 CD2 PHE A 11 3.463 -9.399 0.270 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.203 -6.935 0.687 1.00 0.14 C ATOM 175 CE2 PHE A 11 2.830 -8.748 -0.795 1.00 0.14 C ATOM 176 CZ PHE A 11 2.199 -7.518 -0.587 1.00 0.14 C ATOM 0 H PHE A 11 4.922 -10.338 4.902 1.00 0.14 H new ATOM 0 HA PHE A 11 2.493 -9.131 4.020 1.00 0.13 H new ATOM 0 HB2 PHE A 11 4.899 -8.842 3.142 1.00 0.14 H new ATOM 0 HB3 PHE A 11 4.713 -10.381 2.325 1.00 0.14 H new ATOM 0 HD1 PHE A 11 2.842 -7.131 2.732 1.00 0.14 H new ATOM 0 HD2 PHE A 11 3.952 -10.349 0.109 1.00 0.14 H new ATOM 0 HE1 PHE A 11 1.717 -5.984 0.847 1.00 0.14 H new ATOM 0 HE2 PHE A 11 2.829 -9.196 -1.778 1.00 0.14 H new ATOM 0 HZ PHE A 11 1.708 -7.017 -1.408 1.00 0.14 H new ATOM 186 N GLN A 12 2.918 -12.286 3.186 1.00 0.14 N ATOM 187 CA GLN A 12 2.176 -13.472 2.681 1.00 0.16 C ATOM 188 C GLN A 12 1.030 -13.769 3.648 1.00 0.15 C ATOM 189 O GLN A 12 -0.084 -14.056 3.254 1.00 0.16 O ATOM 190 CB GLN A 12 3.128 -14.671 2.659 1.00 0.18 C ATOM 191 CG GLN A 12 4.270 -14.404 1.676 1.00 0.17 C ATOM 192 CD GLN A 12 3.712 -14.284 0.259 1.00 0.40 C ATOM 193 OE1 GLN A 12 3.159 -15.226 -0.270 1.00 1.12 O ATOM 194 NE2 GLN A 12 3.830 -13.153 -0.380 1.00 1.31 N ATOM 0 H GLN A 12 3.877 -12.467 3.483 1.00 0.14 H new ATOM 0 HA GLN A 12 1.788 -13.284 1.680 1.00 0.16 H new ATOM 0 HB2 GLN A 12 3.528 -14.848 3.657 1.00 0.18 H new ATOM 0 HB3 GLN A 12 2.588 -15.572 2.368 1.00 0.18 H new ATOM 0 HG2 GLN A 12 4.792 -13.487 1.950 1.00 0.17 H new ATOM 0 HG3 GLN A 12 4.999 -15.213 1.723 1.00 0.17 H new ATOM 0 HE21 GLN A 12 4.295 -12.362 0.065 1.00 1.31 H new ATOM 0 HE22 GLN A 12 3.457 -13.060 -1.325 1.00 1.31 H new ATOM 203 N GLU A 13 1.311 -13.687 4.920 1.00 0.16 N ATOM 204 CA GLU A 13 0.271 -13.944 5.952 1.00 0.17 C ATOM 205 C GLU A 13 -0.834 -12.894 5.859 1.00 0.15 C ATOM 206 O GLU A 13 -1.998 -13.184 6.053 1.00 0.16 O ATOM 207 CB GLU A 13 0.930 -13.877 7.333 1.00 0.19 C ATOM 208 CG GLU A 13 1.932 -15.025 7.492 1.00 0.28 C ATOM 209 CD GLU A 13 1.189 -16.364 7.491 1.00 0.95 C ATOM 210 OE1 GLU A 13 0.023 -16.375 7.853 1.00 1.77 O ATOM 211 OE2 GLU A 13 1.801 -17.357 7.131 1.00 1.67 O ATOM 0 H GLU A 13 2.231 -13.449 5.291 1.00 0.16 H new ATOM 0 HA GLU A 13 -0.171 -14.928 5.792 1.00 0.17 H new ATOM 0 HB2 GLU A 13 1.438 -12.920 7.457 1.00 0.19 H new ATOM 0 HB3 GLU A 13 0.169 -13.937 8.111 1.00 0.19 H new ATOM 0 HG2 GLU A 13 2.659 -15.001 6.680 1.00 0.28 H new ATOM 0 HG3 GLU A 13 2.489 -14.908 8.422 1.00 0.28 H new ATOM 218 N ALA A 14 -0.480 -11.674 5.575 1.00 0.15 N ATOM 219 CA ALA A 14 -1.512 -10.613 5.484 1.00 0.14 C ATOM 220 C ALA A 14 -2.392 -10.880 4.268 1.00 0.13 C ATOM 221 O ALA A 14 -3.600 -10.780 4.329 1.00 0.13 O ATOM 222 CB ALA A 14 -0.838 -9.242 5.348 1.00 0.15 C ATOM 0 H ALA A 14 0.478 -11.368 5.403 1.00 0.15 H new ATOM 0 HA ALA A 14 -2.123 -10.617 6.387 1.00 0.14 H new ATOM 0 HB1 ALA A 14 -1.601 -8.466 5.282 1.00 0.15 H new ATOM 0 HB2 ALA A 14 -0.208 -9.058 6.219 1.00 0.15 H new ATOM 0 HB3 ALA A 14 -0.225 -9.226 4.447 1.00 0.15 H new ATOM 228 N LEU A 15 -1.795 -11.224 3.162 1.00 0.12 N ATOM 229 CA LEU A 15 -2.603 -11.497 1.951 1.00 0.12 C ATOM 230 C LEU A 15 -3.546 -12.660 2.245 1.00 0.13 C ATOM 231 O LEU A 15 -4.699 -12.653 1.865 1.00 0.13 O ATOM 232 CB LEU A 15 -1.670 -11.871 0.798 1.00 0.13 C ATOM 233 CG LEU A 15 -0.874 -10.635 0.348 1.00 0.13 C ATOM 234 CD1 LEU A 15 0.324 -11.083 -0.497 1.00 0.17 C ATOM 235 CD2 LEU A 15 -1.761 -9.687 -0.481 1.00 0.17 C ATOM 0 H LEU A 15 -0.787 -11.327 3.048 1.00 0.12 H new ATOM 0 HA LEU A 15 -3.180 -10.614 1.676 1.00 0.12 H new ATOM 0 HB2 LEU A 15 -0.987 -12.660 1.113 1.00 0.13 H new ATOM 0 HB3 LEU A 15 -2.249 -12.265 -0.037 1.00 0.13 H new ATOM 0 HG LEU A 15 -0.527 -10.101 1.233 1.00 0.13 H new ATOM 0 HD11 LEU A 15 0.890 -10.209 -0.818 1.00 0.17 H new ATOM 0 HD12 LEU A 15 0.966 -11.733 0.098 1.00 0.17 H new ATOM 0 HD13 LEU A 15 -0.031 -11.626 -1.373 1.00 0.17 H new ATOM 0 HD21 LEU A 15 -1.178 -8.819 -0.789 1.00 0.17 H new ATOM 0 HD22 LEU A 15 -2.127 -10.210 -1.364 1.00 0.17 H new ATOM 0 HD23 LEU A 15 -2.607 -9.359 0.123 1.00 0.17 H new ATOM 247 N ASP A 16 -3.062 -13.657 2.934 1.00 0.13 N ATOM 248 CA ASP A 16 -3.922 -14.825 3.270 1.00 0.15 C ATOM 249 C ASP A 16 -5.004 -14.415 4.274 1.00 0.15 C ATOM 250 O ASP A 16 -6.124 -14.884 4.219 1.00 0.16 O ATOM 251 CB ASP A 16 -3.064 -15.948 3.865 1.00 0.17 C ATOM 252 CG ASP A 16 -3.903 -17.225 3.975 1.00 0.19 C ATOM 253 OD1 ASP A 16 -4.737 -17.289 4.865 1.00 1.07 O ATOM 254 OD2 ASP A 16 -3.700 -18.117 3.168 1.00 1.07 O ATOM 0 H ASP A 16 -2.104 -13.712 3.280 1.00 0.13 H new ATOM 0 HA ASP A 16 -4.402 -15.181 2.359 1.00 0.15 H new ATOM 0 HB2 ASP A 16 -2.191 -16.126 3.236 1.00 0.17 H new ATOM 0 HB3 ASP A 16 -2.695 -15.656 4.848 1.00 0.17 H new ATOM 259 N ALA A 17 -4.667 -13.568 5.210 1.00 0.15 N ATOM 260 CA ALA A 17 -5.664 -13.147 6.240 1.00 0.16 C ATOM 261 C ALA A 17 -6.783 -12.325 5.589 1.00 0.15 C ATOM 262 O ALA A 17 -7.937 -12.431 5.954 1.00 0.17 O ATOM 263 CB ALA A 17 -4.964 -12.299 7.305 1.00 0.18 C ATOM 0 H ALA A 17 -3.742 -13.148 5.307 1.00 0.15 H new ATOM 0 HA ALA A 17 -6.098 -14.035 6.700 1.00 0.16 H new ATOM 0 HB1 ALA A 17 -5.689 -11.990 8.058 1.00 0.18 H new ATOM 0 HB2 ALA A 17 -4.177 -12.886 7.778 1.00 0.18 H new ATOM 0 HB3 ALA A 17 -4.527 -11.416 6.838 1.00 0.18 H new ATOM 269 N ALA A 18 -6.455 -11.509 4.628 1.00 0.14 N ATOM 270 CA ALA A 18 -7.504 -10.686 3.957 1.00 0.15 C ATOM 271 C ALA A 18 -8.475 -11.605 3.221 1.00 0.14 C ATOM 272 O ALA A 18 -9.644 -11.309 3.083 1.00 0.17 O ATOM 273 CB ALA A 18 -6.850 -9.753 2.942 1.00 0.15 C ATOM 0 H ALA A 18 -5.507 -11.375 4.277 1.00 0.14 H new ATOM 0 HA ALA A 18 -8.037 -10.103 4.708 1.00 0.15 H new ATOM 0 HB1 ALA A 18 -7.617 -9.153 2.453 1.00 0.15 H new ATOM 0 HB2 ALA A 18 -6.146 -9.096 3.453 1.00 0.15 H new ATOM 0 HB3 ALA A 18 -6.319 -10.343 2.195 1.00 0.15 H new ATOM 279 N GLY A 19 -7.990 -12.714 2.735 1.00 0.16 N ATOM 280 CA GLY A 19 -8.872 -13.659 1.996 1.00 0.20 C ATOM 281 C GLY A 19 -9.327 -13.025 0.678 1.00 0.16 C ATOM 282 O GLY A 19 -8.523 -12.618 -0.137 1.00 0.17 O ATOM 0 H GLY A 19 -7.017 -13.007 2.819 1.00 0.16 H new ATOM 0 HA2 GLY A 19 -8.338 -14.588 1.797 1.00 0.20 H new ATOM 0 HA3 GLY A 19 -9.739 -13.913 2.606 1.00 0.20 H new ATOM 286 N ASP A 20 -10.615 -12.950 0.461 1.00 0.15 N ATOM 287 CA ASP A 20 -11.141 -12.362 -0.807 1.00 0.14 C ATOM 288 C ASP A 20 -11.384 -10.859 -0.631 1.00 0.12 C ATOM 289 O ASP A 20 -11.895 -10.199 -1.513 1.00 0.13 O ATOM 290 CB ASP A 20 -12.464 -13.043 -1.162 1.00 0.15 C ATOM 291 CG ASP A 20 -12.230 -14.542 -1.376 1.00 0.18 C ATOM 292 OD1 ASP A 20 -11.195 -14.886 -1.919 1.00 1.07 O ATOM 293 OD2 ASP A 20 -13.091 -15.318 -0.994 1.00 1.07 O ATOM 0 H ASP A 20 -11.330 -13.273 1.113 1.00 0.15 H new ATOM 0 HA ASP A 20 -10.412 -12.516 -1.602 1.00 0.14 H new ATOM 0 HB2 ASP A 20 -13.190 -12.888 -0.364 1.00 0.15 H new ATOM 0 HB3 ASP A 20 -12.883 -12.598 -2.064 1.00 0.15 H new ATOM 298 N LYS A 21 -11.033 -10.312 0.498 1.00 0.12 N ATOM 299 CA LYS A 21 -11.258 -8.853 0.715 1.00 0.12 C ATOM 300 C LYS A 21 -10.203 -8.069 -0.066 1.00 0.10 C ATOM 301 O LYS A 21 -9.093 -8.526 -0.240 1.00 0.11 O ATOM 302 CB LYS A 21 -11.131 -8.540 2.210 1.00 0.15 C ATOM 303 CG LYS A 21 -12.217 -9.304 2.978 1.00 0.21 C ATOM 304 CD LYS A 21 -12.274 -8.836 4.445 1.00 0.31 C ATOM 305 CE LYS A 21 -13.123 -7.566 4.575 1.00 0.80 C ATOM 306 NZ LYS A 21 -13.334 -7.263 6.019 1.00 1.50 N ATOM 0 H LYS A 21 -10.602 -10.808 1.278 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.253 -8.572 0.371 1.00 0.12 H new ATOM 0 HB2 LYS A 21 -10.143 -8.826 2.571 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -11.234 -7.468 2.380 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -13.185 -9.147 2.503 1.00 0.21 H new ATOM 0 HG3 LYS A 21 -12.013 -10.374 2.940 1.00 0.21 H new ATOM 0 HD2 LYS A 21 -12.694 -9.626 5.068 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -11.265 -8.644 4.810 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -12.625 -6.730 4.085 1.00 0.80 H new ATOM 0 HE3 LYS A 21 -14.082 -7.703 4.076 1.00 0.80 H new ATOM 0 HZ1 LYS A 21 -13.910 -6.402 6.113 1.00 1.50 H new ATOM 0 HZ2 LYS A 21 -13.826 -8.059 6.473 1.00 1.50 H new ATOM 0 HZ3 LYS A 21 -12.414 -7.116 6.481 1.00 1.50 H new ATOM 320 N LEU A 22 -10.532 -6.900 -0.552 1.00 0.11 N ATOM 321 CA LEU A 22 -9.532 -6.121 -1.327 1.00 0.12 C ATOM 322 C LEU A 22 -8.317 -5.891 -0.410 1.00 0.12 C ATOM 323 O LEU A 22 -8.421 -5.973 0.798 1.00 0.14 O ATOM 324 CB LEU A 22 -10.182 -4.773 -1.742 1.00 0.15 C ATOM 325 CG LEU A 22 -9.786 -4.357 -3.173 1.00 0.29 C ATOM 326 CD1 LEU A 22 -10.372 -2.961 -3.489 1.00 0.31 C ATOM 327 CD2 LEU A 22 -8.258 -4.317 -3.321 1.00 0.47 C ATOM 0 H LEU A 22 -11.444 -6.457 -0.445 1.00 0.11 H new ATOM 0 HA LEU A 22 -9.211 -6.644 -2.228 1.00 0.12 H new ATOM 0 HB2 LEU A 22 -11.267 -4.858 -1.676 1.00 0.15 H new ATOM 0 HB3 LEU A 22 -9.880 -3.994 -1.042 1.00 0.15 H new ATOM 0 HG LEU A 22 -10.186 -5.091 -3.872 1.00 0.29 H new ATOM 0 HD11 LEU A 22 -10.091 -2.669 -4.501 1.00 0.31 H new ATOM 0 HD12 LEU A 22 -11.459 -2.996 -3.410 1.00 0.31 H new ATOM 0 HD13 LEU A 22 -9.980 -2.233 -2.779 1.00 0.31 H new ATOM 0 HD21 LEU A 22 -7.999 -4.021 -4.338 1.00 0.47 H new ATOM 0 HD22 LEU A 22 -7.843 -3.596 -2.616 1.00 0.47 H new ATOM 0 HD23 LEU A 22 -7.846 -5.305 -3.114 1.00 0.47 H new ATOM 339 N VAL A 23 -7.176 -5.600 -0.966 1.00 0.11 N ATOM 340 CA VAL A 23 -5.974 -5.359 -0.130 1.00 0.11 C ATOM 341 C VAL A 23 -5.094 -4.343 -0.848 1.00 0.11 C ATOM 342 O VAL A 23 -4.617 -4.589 -1.938 1.00 0.17 O ATOM 343 CB VAL A 23 -5.202 -6.668 0.043 1.00 0.11 C ATOM 344 CG1 VAL A 23 -3.955 -6.425 0.896 1.00 0.16 C ATOM 345 CG2 VAL A 23 -6.095 -7.702 0.729 1.00 0.12 C ATOM 0 H VAL A 23 -7.026 -5.519 -1.972 1.00 0.11 H new ATOM 0 HA VAL A 23 -6.264 -4.984 0.852 1.00 0.11 H new ATOM 0 HB VAL A 23 -4.901 -7.039 -0.937 1.00 0.11 H new ATOM 0 HG11 VAL A 23 -3.409 -7.360 1.016 1.00 0.16 H new ATOM 0 HG12 VAL A 23 -3.315 -5.692 0.405 1.00 0.16 H new ATOM 0 HG13 VAL A 23 -4.252 -6.050 1.875 1.00 0.16 H new ATOM 0 HG21 VAL A 23 -5.544 -8.634 0.852 1.00 0.12 H new ATOM 0 HG22 VAL A 23 -6.399 -7.329 1.707 1.00 0.12 H new ATOM 0 HG23 VAL A 23 -6.980 -7.881 0.118 1.00 0.12 H new ATOM 355 N VAL A 24 -4.868 -3.207 -0.245 1.00 0.09 N ATOM 356 CA VAL A 24 -4.011 -2.164 -0.887 1.00 0.09 C ATOM 357 C VAL A 24 -2.673 -2.138 -0.152 1.00 0.09 C ATOM 358 O VAL A 24 -2.628 -2.328 1.046 1.00 0.10 O ATOM 359 CB VAL A 24 -4.687 -0.794 -0.778 1.00 0.11 C ATOM 360 CG1 VAL A 24 -3.874 0.238 -1.564 1.00 0.12 C ATOM 361 CG2 VAL A 24 -6.101 -0.875 -1.353 1.00 0.14 C ATOM 0 H VAL A 24 -5.241 -2.954 0.670 1.00 0.09 H new ATOM 0 HA VAL A 24 -3.862 -2.394 -1.942 1.00 0.09 H new ATOM 0 HB VAL A 24 -4.739 -0.496 0.269 1.00 0.11 H new ATOM 0 HG11 VAL A 24 -4.354 1.214 -1.488 1.00 0.12 H new ATOM 0 HG12 VAL A 24 -2.866 0.296 -1.154 1.00 0.12 H new ATOM 0 HG13 VAL A 24 -3.823 -0.060 -2.611 1.00 0.12 H new ATOM 0 HG21 VAL A 24 -6.582 0.100 -1.275 1.00 0.14 H new ATOM 0 HG22 VAL A 24 -6.051 -1.173 -2.400 1.00 0.14 H new ATOM 0 HG23 VAL A 24 -6.680 -1.610 -0.794 1.00 0.14 H new ATOM 371 N VAL A 25 -1.583 -1.938 -0.854 1.00 0.09 N ATOM 372 CA VAL A 25 -0.240 -1.931 -0.184 1.00 0.09 C ATOM 373 C VAL A 25 0.500 -0.633 -0.518 1.00 0.10 C ATOM 374 O VAL A 25 0.736 -0.321 -1.668 1.00 0.11 O ATOM 375 CB VAL A 25 0.574 -3.124 -0.691 1.00 0.09 C ATOM 376 CG1 VAL A 25 1.900 -3.199 0.065 1.00 0.13 C ATOM 377 CG2 VAL A 25 -0.215 -4.421 -0.471 1.00 0.10 C ATOM 0 H VAL A 25 -1.564 -1.779 -1.861 1.00 0.09 H new ATOM 0 HA VAL A 25 -0.370 -2.000 0.896 1.00 0.09 H new ATOM 0 HB VAL A 25 0.770 -2.997 -1.756 1.00 0.09 H new ATOM 0 HG11 VAL A 25 2.478 -4.049 -0.298 1.00 0.13 H new ATOM 0 HG12 VAL A 25 2.464 -2.281 -0.098 1.00 0.13 H new ATOM 0 HG13 VAL A 25 1.705 -3.321 1.130 1.00 0.13 H new ATOM 0 HG21 VAL A 25 0.368 -5.268 -0.833 1.00 0.10 H new ATOM 0 HG22 VAL A 25 -0.417 -4.548 0.593 1.00 0.10 H new ATOM 0 HG23 VAL A 25 -1.158 -4.370 -1.016 1.00 0.10 H new ATOM 387 N ASP A 26 0.881 0.120 0.483 1.00 0.11 N ATOM 388 CA ASP A 26 1.621 1.399 0.234 1.00 0.12 C ATOM 389 C ASP A 26 3.129 1.166 0.434 1.00 0.14 C ATOM 390 O ASP A 26 3.574 0.819 1.507 1.00 0.20 O ATOM 391 CB ASP A 26 1.129 2.472 1.217 1.00 0.14 C ATOM 392 CG ASP A 26 1.728 3.826 0.835 1.00 0.16 C ATOM 393 OD1 ASP A 26 1.935 4.048 -0.347 1.00 1.05 O ATOM 394 OD2 ASP A 26 1.969 4.617 1.731 1.00 1.04 O ATOM 0 H ASP A 26 0.712 -0.095 1.466 1.00 0.11 H new ATOM 0 HA ASP A 26 1.440 1.733 -0.788 1.00 0.12 H new ATOM 0 HB2 ASP A 26 0.040 2.526 1.199 1.00 0.14 H new ATOM 0 HB3 ASP A 26 1.418 2.208 2.234 1.00 0.14 H new ATOM 399 N PHE A 27 3.916 1.366 -0.593 1.00 0.13 N ATOM 400 CA PHE A 27 5.403 1.178 -0.478 1.00 0.13 C ATOM 401 C PHE A 27 6.057 2.518 -0.177 1.00 0.22 C ATOM 402 O PHE A 27 7.226 2.718 -0.425 1.00 0.73 O ATOM 403 CB PHE A 27 5.975 0.628 -1.791 1.00 0.11 C ATOM 404 CG PHE A 27 5.714 -0.853 -1.888 1.00 0.10 C ATOM 405 CD1 PHE A 27 6.592 -1.751 -1.269 1.00 0.11 C ATOM 406 CD2 PHE A 27 4.614 -1.326 -2.601 1.00 0.12 C ATOM 407 CE1 PHE A 27 6.364 -3.129 -1.364 1.00 0.14 C ATOM 408 CE2 PHE A 27 4.384 -2.703 -2.693 1.00 0.14 C ATOM 409 CZ PHE A 27 5.258 -3.605 -2.075 1.00 0.14 C ATOM 0 H PHE A 27 3.593 1.654 -1.517 1.00 0.13 H new ATOM 0 HA PHE A 27 5.607 0.470 0.325 1.00 0.13 H new ATOM 0 HB2 PHE A 27 5.521 1.142 -2.638 1.00 0.11 H new ATOM 0 HB3 PHE A 27 7.047 0.820 -1.839 1.00 0.11 H new ATOM 0 HD1 PHE A 27 7.444 -1.381 -0.719 1.00 0.11 H new ATOM 0 HD2 PHE A 27 3.941 -0.631 -3.081 1.00 0.12 H new ATOM 0 HE1 PHE A 27 7.041 -3.823 -0.889 1.00 0.14 H new ATOM 0 HE2 PHE A 27 3.530 -3.071 -3.242 1.00 0.14 H new ATOM 0 HZ PHE A 27 5.078 -4.667 -2.147 1.00 0.14 H new ATOM 419 N SER A 28 5.315 3.449 0.321 1.00 0.30 N ATOM 420 CA SER A 28 5.913 4.775 0.597 1.00 0.24 C ATOM 421 C SER A 28 7.113 4.630 1.513 1.00 0.24 C ATOM 422 O SER A 28 7.163 3.774 2.375 1.00 0.28 O ATOM 423 CB SER A 28 4.888 5.665 1.289 1.00 0.27 C ATOM 424 OG SER A 28 3.755 5.829 0.448 1.00 0.29 O ATOM 0 H SER A 28 4.325 3.355 0.549 1.00 0.30 H new ATOM 0 HA SER A 28 6.223 5.217 -0.350 1.00 0.24 H new ATOM 0 HB2 SER A 28 4.588 5.221 2.238 1.00 0.27 H new ATOM 0 HB3 SER A 28 5.329 6.636 1.516 1.00 0.27 H new ATOM 0 HG SER A 28 2.937 5.762 0.984 1.00 0.29 H new ATOM 430 N ALA A 29 8.072 5.490 1.340 1.00 0.20 N ATOM 431 CA ALA A 29 9.278 5.461 2.199 1.00 0.21 C ATOM 432 C ALA A 29 8.955 6.247 3.465 1.00 0.22 C ATOM 433 O ALA A 29 8.544 7.387 3.400 1.00 0.22 O ATOM 434 CB ALA A 29 10.442 6.134 1.451 1.00 0.19 C ATOM 0 H ALA A 29 8.069 6.221 0.629 1.00 0.20 H new ATOM 0 HA ALA A 29 9.562 4.438 2.447 1.00 0.21 H new ATOM 0 HB1 ALA A 29 11.335 6.117 2.076 1.00 0.19 H new ATOM 0 HB2 ALA A 29 10.638 5.596 0.524 1.00 0.19 H new ATOM 0 HB3 ALA A 29 10.179 7.167 1.222 1.00 0.19 H new ATOM 440 N THR A 30 9.138 5.667 4.612 1.00 0.23 N ATOM 441 CA THR A 30 8.840 6.427 5.848 1.00 0.24 C ATOM 442 C THR A 30 9.881 7.531 5.979 1.00 0.22 C ATOM 443 O THR A 30 9.611 8.604 6.480 1.00 0.22 O ATOM 444 CB THR A 30 8.912 5.499 7.060 1.00 0.28 C ATOM 445 OG1 THR A 30 8.634 6.240 8.241 1.00 0.30 O ATOM 446 CG2 THR A 30 10.310 4.887 7.151 1.00 0.29 C ATOM 0 H THR A 30 9.476 4.714 4.747 1.00 0.23 H new ATOM 0 HA THR A 30 7.838 6.852 5.800 1.00 0.24 H new ATOM 0 HB THR A 30 8.176 4.702 6.954 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.678 5.645 9.019 1.00 0.30 H new ATOM 0 HG21 THR A 30 10.362 4.225 8.015 1.00 0.29 H new ATOM 0 HG22 THR A 30 10.518 4.318 6.245 1.00 0.29 H new ATOM 0 HG23 THR A 30 11.049 5.681 7.258 1.00 0.29 H new ATOM 454 N TRP A 31 11.074 7.272 5.512 1.00 0.22 N ATOM 455 CA TRP A 31 12.152 8.297 5.595 1.00 0.21 C ATOM 456 C TRP A 31 11.879 9.457 4.638 1.00 0.19 C ATOM 457 O TRP A 31 12.386 10.547 4.820 1.00 0.22 O ATOM 458 CB TRP A 31 13.486 7.663 5.232 1.00 0.23 C ATOM 459 CG TRP A 31 13.461 7.177 3.816 1.00 0.22 C ATOM 460 CD1 TRP A 31 13.210 5.904 3.445 1.00 0.26 C ATOM 461 CD2 TRP A 31 13.684 7.925 2.585 1.00 0.21 C ATOM 462 NE1 TRP A 31 13.313 5.808 2.069 1.00 0.25 N ATOM 463 CE2 TRP A 31 13.592 7.030 1.493 1.00 0.21 C ATOM 464 CE3 TRP A 31 13.965 9.275 2.311 1.00 0.21 C ATOM 465 CZ2 TRP A 31 13.774 7.458 0.178 1.00 0.21 C ATOM 466 CZ3 TRP A 31 14.144 9.709 0.986 1.00 0.23 C ATOM 467 CH2 TRP A 31 14.050 8.801 -0.077 1.00 0.21 C ATOM 0 H TRP A 31 11.348 6.392 5.076 1.00 0.22 H new ATOM 0 HA TRP A 31 12.180 8.680 6.615 1.00 0.21 H new ATOM 0 HB2 TRP A 31 14.289 8.389 5.360 1.00 0.23 H new ATOM 0 HB3 TRP A 31 13.697 6.832 5.905 1.00 0.23 H new ATOM 0 HD1 TRP A 31 12.968 5.092 4.114 1.00 0.26 H new ATOM 0 HE1 TRP A 31 13.197 4.941 1.545 1.00 0.25 H new ATOM 0 HE3 TRP A 31 14.044 9.983 3.123 1.00 0.21 H new ATOM 0 HZ2 TRP A 31 13.702 6.754 -0.638 1.00 0.21 H new ATOM 0 HZ3 TRP A 31 14.355 10.749 0.786 1.00 0.23 H new ATOM 0 HH2 TRP A 31 14.191 9.141 -1.092 1.00 0.21 H new ATOM 478 N CYS A 32 11.094 9.247 3.615 1.00 0.18 N ATOM 479 CA CYS A 32 10.814 10.359 2.662 1.00 0.17 C ATOM 480 C CYS A 32 9.660 11.191 3.223 1.00 0.17 C ATOM 481 O CYS A 32 8.553 10.716 3.382 1.00 0.20 O ATOM 482 CB CYS A 32 10.453 9.776 1.283 1.00 0.18 C ATOM 483 SG CYS A 32 10.569 11.072 0.011 1.00 0.26 S ATOM 0 H CYS A 32 10.638 8.361 3.399 1.00 0.18 H new ATOM 0 HA CYS A 32 11.691 10.994 2.541 1.00 0.17 H new ATOM 0 HB2 CYS A 32 11.126 8.954 1.039 1.00 0.18 H new ATOM 0 HB3 CYS A 32 9.443 9.366 1.305 1.00 0.18 H new ATOM 488 N GLY A 33 9.928 12.426 3.555 1.00 0.20 N ATOM 489 CA GLY A 33 8.872 13.295 4.142 1.00 0.23 C ATOM 490 C GLY A 33 7.702 13.484 3.173 1.00 0.21 C ATOM 491 O GLY A 33 6.562 13.282 3.541 1.00 0.22 O ATOM 0 H GLY A 33 10.839 12.871 3.443 1.00 0.20 H new ATOM 0 HA2 GLY A 33 8.510 12.853 5.070 1.00 0.23 H new ATOM 0 HA3 GLY A 33 9.297 14.266 4.395 1.00 0.23 H new ATOM 495 N PRO A 34 7.953 13.880 1.950 1.00 0.21 N ATOM 496 CA PRO A 34 6.844 14.081 0.981 1.00 0.22 C ATOM 497 C PRO A 34 5.936 12.846 0.908 1.00 0.22 C ATOM 498 O PRO A 34 4.736 12.947 0.744 1.00 0.24 O ATOM 499 CB PRO A 34 7.607 14.289 -0.336 1.00 0.29 C ATOM 500 CG PRO A 34 9.045 14.695 0.023 1.00 0.31 C ATOM 501 CD PRO A 34 9.328 14.172 1.444 1.00 0.24 C ATOM 0 HA PRO A 34 6.178 14.904 1.240 1.00 0.22 H new ATOM 0 HB2 PRO A 34 7.604 13.375 -0.930 1.00 0.29 H new ATOM 0 HB3 PRO A 34 7.129 15.062 -0.938 1.00 0.29 H new ATOM 0 HG2 PRO A 34 9.753 14.272 -0.690 1.00 0.31 H new ATOM 0 HG3 PRO A 34 9.160 15.778 -0.018 1.00 0.31 H new ATOM 0 HD2 PRO A 34 9.956 13.281 1.433 1.00 0.24 H new ATOM 0 HD3 PRO A 34 9.839 14.914 2.057 1.00 0.24 H new ATOM 509 N ALA A 35 6.513 11.680 1.033 1.00 0.21 N ATOM 510 CA ALA A 35 5.703 10.433 0.968 1.00 0.23 C ATOM 511 C ALA A 35 4.956 10.222 2.287 1.00 0.23 C ATOM 512 O ALA A 35 3.764 9.993 2.308 1.00 0.22 O ATOM 513 CB ALA A 35 6.627 9.239 0.702 1.00 0.24 C ATOM 0 H ALA A 35 7.513 11.539 1.178 1.00 0.21 H new ATOM 0 HA ALA A 35 4.976 10.520 0.160 1.00 0.23 H new ATOM 0 HB1 ALA A 35 6.035 8.325 0.654 1.00 0.24 H new ATOM 0 HB2 ALA A 35 7.147 9.385 -0.245 1.00 0.24 H new ATOM 0 HB3 ALA A 35 7.357 9.157 1.508 1.00 0.24 H new ATOM 519 N LYS A 36 5.646 10.296 3.389 1.00 0.25 N ATOM 520 CA LYS A 36 4.967 10.093 4.699 1.00 0.27 C ATOM 521 C LYS A 36 3.872 11.144 4.860 1.00 0.26 C ATOM 522 O LYS A 36 2.829 10.885 5.424 1.00 0.27 O ATOM 523 CB LYS A 36 5.982 10.231 5.831 1.00 0.33 C ATOM 524 CG LYS A 36 5.332 9.818 7.151 1.00 0.37 C ATOM 525 CD LYS A 36 6.250 10.218 8.306 1.00 0.44 C ATOM 526 CE LYS A 36 5.619 9.799 9.633 1.00 0.89 C ATOM 527 NZ LYS A 36 5.515 8.312 9.685 1.00 1.59 N ATOM 0 H LYS A 36 6.647 10.487 3.441 1.00 0.25 H new ATOM 0 HA LYS A 36 4.528 9.096 4.734 1.00 0.27 H new ATOM 0 HB2 LYS A 36 6.853 9.607 5.631 1.00 0.33 H new ATOM 0 HB3 LYS A 36 6.335 11.260 5.894 1.00 0.33 H new ATOM 0 HG2 LYS A 36 4.360 10.300 7.259 1.00 0.37 H new ATOM 0 HG3 LYS A 36 5.158 8.742 7.164 1.00 0.37 H new ATOM 0 HD2 LYS A 36 7.225 9.744 8.190 1.00 0.44 H new ATOM 0 HD3 LYS A 36 6.416 11.295 8.295 1.00 0.44 H new ATOM 0 HE2 LYS A 36 6.222 10.162 10.465 1.00 0.89 H new ATOM 0 HE3 LYS A 36 4.631 10.247 9.736 1.00 0.89 H new ATOM 0 HZ1 LYS A 36 5.414 8.005 10.674 1.00 1.59 H new ATOM 0 HZ2 LYS A 36 4.685 8.003 9.140 1.00 1.59 H new ATOM 0 HZ3 LYS A 36 6.373 7.889 9.277 1.00 1.59 H new ATOM 541 N MET A 37 4.099 12.322 4.366 1.00 0.28 N ATOM 542 CA MET A 37 3.075 13.394 4.485 1.00 0.30 C ATOM 543 C MET A 37 1.781 12.936 3.806 1.00 0.25 C ATOM 544 O MET A 37 0.710 13.373 4.156 1.00 0.25 O ATOM 545 CB MET A 37 3.599 14.674 3.818 1.00 0.38 C ATOM 546 CG MET A 37 2.651 15.846 4.104 1.00 0.44 C ATOM 547 SD MET A 37 1.191 15.734 3.037 1.00 1.54 S ATOM 548 CE MET A 37 1.815 16.750 1.677 1.00 2.10 C ATOM 0 H MET A 37 4.955 12.593 3.881 1.00 0.28 H new ATOM 0 HA MET A 37 2.872 13.598 5.536 1.00 0.30 H new ATOM 0 HB2 MET A 37 4.597 14.905 4.191 1.00 0.38 H new ATOM 0 HB3 MET A 37 3.687 14.522 2.742 1.00 0.38 H new ATOM 0 HG2 MET A 37 2.349 15.833 5.151 1.00 0.44 H new ATOM 0 HG3 MET A 37 3.166 16.791 3.933 1.00 0.44 H new ATOM 0 HE1 MET A 37 1.059 16.815 0.894 1.00 2.10 H new ATOM 0 HE2 MET A 37 2.043 17.750 2.045 1.00 2.10 H new ATOM 0 HE3 MET A 37 2.720 16.298 1.271 1.00 2.10 H new ATOM 558 N ILE A 38 1.883 12.078 2.825 1.00 0.23 N ATOM 559 CA ILE A 38 0.667 11.598 2.093 1.00 0.25 C ATOM 560 C ILE A 38 0.002 10.415 2.815 1.00 0.26 C ATOM 561 O ILE A 38 -1.006 9.905 2.369 1.00 0.31 O ATOM 562 CB ILE A 38 1.074 11.161 0.677 1.00 0.33 C ATOM 563 CG1 ILE A 38 1.690 12.358 -0.047 1.00 0.34 C ATOM 564 CG2 ILE A 38 -0.158 10.668 -0.098 1.00 0.35 C ATOM 565 CD1 ILE A 38 2.413 11.882 -1.299 1.00 0.49 C ATOM 0 H ILE A 38 2.764 11.684 2.495 1.00 0.23 H new ATOM 0 HA ILE A 38 -0.051 12.417 2.052 1.00 0.25 H new ATOM 0 HB ILE A 38 1.797 10.348 0.739 1.00 0.33 H new ATOM 0 HG12 ILE A 38 0.912 13.074 -0.314 1.00 0.34 H new ATOM 0 HG13 ILE A 38 2.387 12.876 0.613 1.00 0.34 H new ATOM 0 HG21 ILE A 38 0.141 10.361 -1.100 1.00 0.35 H new ATOM 0 HG22 ILE A 38 -0.601 9.820 0.424 1.00 0.35 H new ATOM 0 HG23 ILE A 38 -0.889 11.473 -0.169 1.00 0.35 H new ATOM 0 HD11 ILE A 38 2.851 12.737 -1.813 1.00 0.49 H new ATOM 0 HD12 ILE A 38 3.202 11.183 -1.020 1.00 0.49 H new ATOM 0 HD13 ILE A 38 1.705 11.384 -1.961 1.00 0.49 H new ATOM 577 N LYS A 39 0.550 9.944 3.907 1.00 0.27 N ATOM 578 CA LYS A 39 -0.089 8.775 4.581 1.00 0.34 C ATOM 579 C LYS A 39 -1.492 9.090 5.150 1.00 0.30 C ATOM 580 O LYS A 39 -2.293 8.193 5.264 1.00 0.33 O ATOM 581 CB LYS A 39 0.804 8.179 5.701 1.00 0.46 C ATOM 582 CG LYS A 39 0.730 8.986 7.029 1.00 0.50 C ATOM 583 CD LYS A 39 1.232 8.124 8.221 1.00 0.65 C ATOM 584 CE LYS A 39 0.484 8.512 9.503 1.00 0.80 C ATOM 585 NZ LYS A 39 1.071 7.786 10.666 1.00 0.75 N ATOM 0 H LYS A 39 1.392 10.308 4.352 1.00 0.27 H new ATOM 0 HA LYS A 39 -0.208 8.031 3.793 1.00 0.34 H new ATOM 0 HB2 LYS A 39 0.501 7.149 5.890 1.00 0.46 H new ATOM 0 HB3 LYS A 39 1.838 8.149 5.357 1.00 0.46 H new ATOM 0 HG2 LYS A 39 1.335 9.889 6.946 1.00 0.50 H new ATOM 0 HG3 LYS A 39 -0.296 9.305 7.210 1.00 0.50 H new ATOM 0 HD2 LYS A 39 1.077 7.067 8.006 1.00 0.65 H new ATOM 0 HD3 LYS A 39 2.304 8.268 8.358 1.00 0.65 H new ATOM 0 HE2 LYS A 39 0.550 9.588 9.663 1.00 0.80 H new ATOM 0 HE3 LYS A 39 -0.574 8.269 9.406 1.00 0.80 H new ATOM 0 HZ1 LYS A 39 0.562 8.051 11.533 1.00 0.75 H new ATOM 0 HZ2 LYS A 39 0.986 6.761 10.514 1.00 0.75 H new ATOM 0 HZ3 LYS A 39 2.075 8.039 10.763 1.00 0.75 H new ATOM 599 N PRO A 40 -1.809 10.304 5.570 1.00 0.26 N ATOM 600 CA PRO A 40 -3.150 10.546 6.171 1.00 0.25 C ATOM 601 C PRO A 40 -4.286 10.117 5.254 1.00 0.20 C ATOM 602 O PRO A 40 -5.260 9.561 5.701 1.00 0.21 O ATOM 603 CB PRO A 40 -3.134 12.064 6.400 1.00 0.26 C ATOM 604 CG PRO A 40 -1.667 12.489 6.396 1.00 0.28 C ATOM 605 CD PRO A 40 -0.934 11.508 5.479 1.00 0.27 C ATOM 0 HA PRO A 40 -3.324 9.969 7.079 1.00 0.25 H new ATOM 0 HB2 PRO A 40 -3.689 12.580 5.617 1.00 0.26 H new ATOM 0 HB3 PRO A 40 -3.609 12.318 7.348 1.00 0.26 H new ATOM 0 HG2 PRO A 40 -1.560 13.512 6.035 1.00 0.28 H new ATOM 0 HG3 PRO A 40 -1.252 12.462 7.404 1.00 0.28 H new ATOM 0 HD2 PRO A 40 -0.855 11.882 4.458 1.00 0.27 H new ATOM 0 HD3 PRO A 40 0.080 11.305 5.823 1.00 0.27 H new ATOM 613 N PHE A 41 -4.179 10.359 3.977 1.00 0.16 N ATOM 614 CA PHE A 41 -5.284 9.933 3.084 1.00 0.13 C ATOM 615 C PHE A 41 -5.307 8.405 3.042 1.00 0.13 C ATOM 616 O PHE A 41 -6.331 7.771 3.167 1.00 0.15 O ATOM 617 CB PHE A 41 -5.027 10.448 1.671 1.00 0.14 C ATOM 618 CG PHE A 41 -5.152 11.950 1.621 1.00 0.18 C ATOM 619 CD1 PHE A 41 -4.114 12.751 2.104 1.00 0.25 C ATOM 620 CD2 PHE A 41 -6.300 12.538 1.083 1.00 0.22 C ATOM 621 CE1 PHE A 41 -4.222 14.145 2.050 1.00 0.34 C ATOM 622 CE2 PHE A 41 -6.410 13.930 1.026 1.00 0.31 C ATOM 623 CZ PHE A 41 -5.372 14.735 1.511 1.00 0.37 C ATOM 0 H PHE A 41 -3.392 10.823 3.524 1.00 0.16 H new ATOM 0 HA PHE A 41 -6.230 10.328 3.454 1.00 0.13 H new ATOM 0 HB2 PHE A 41 -4.030 10.150 1.345 1.00 0.14 H new ATOM 0 HB3 PHE A 41 -5.737 9.996 0.979 1.00 0.14 H new ATOM 0 HD1 PHE A 41 -3.228 12.294 2.519 1.00 0.25 H new ATOM 0 HD2 PHE A 41 -7.102 11.917 0.711 1.00 0.22 H new ATOM 0 HE1 PHE A 41 -3.420 14.765 2.423 1.00 0.34 H new ATOM 0 HE2 PHE A 41 -7.296 14.385 0.608 1.00 0.31 H new ATOM 0 HZ PHE A 41 -5.458 15.811 1.469 1.00 0.37 H new ATOM 633 N PHE A 42 -4.161 7.811 2.898 1.00 0.12 N ATOM 634 CA PHE A 42 -4.078 6.329 2.860 1.00 0.13 C ATOM 635 C PHE A 42 -4.572 5.749 4.192 1.00 0.14 C ATOM 636 O PHE A 42 -5.426 4.886 4.228 1.00 0.16 O ATOM 637 CB PHE A 42 -2.619 5.947 2.588 1.00 0.13 C ATOM 638 CG PHE A 42 -2.472 4.448 2.537 1.00 0.12 C ATOM 639 CD1 PHE A 42 -2.820 3.743 1.379 1.00 0.12 C ATOM 640 CD2 PHE A 42 -1.996 3.763 3.660 1.00 0.12 C ATOM 641 CE1 PHE A 42 -2.691 2.348 1.347 1.00 0.13 C ATOM 642 CE2 PHE A 42 -1.866 2.369 3.629 1.00 0.13 C ATOM 643 CZ PHE A 42 -2.214 1.660 2.472 1.00 0.13 C ATOM 0 H PHE A 42 -3.268 8.294 2.804 1.00 0.12 H new ATOM 0 HA PHE A 42 -4.710 5.921 2.072 1.00 0.13 H new ATOM 0 HB2 PHE A 42 -2.291 6.384 1.645 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -1.977 6.356 3.368 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -3.187 4.273 0.512 1.00 0.12 H new ATOM 0 HD2 PHE A 42 -1.728 4.310 4.552 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -2.959 1.802 0.455 1.00 0.13 H new ATOM 0 HE2 PHE A 42 -1.498 1.841 4.496 1.00 0.13 H new ATOM 0 HZ PHE A 42 -2.115 0.585 2.446 1.00 0.13 H new ATOM 653 N HIS A 43 -4.039 6.233 5.281 1.00 0.16 N ATOM 654 CA HIS A 43 -4.450 5.742 6.630 1.00 0.18 C ATOM 655 C HIS A 43 -5.893 6.138 6.933 1.00 0.16 C ATOM 656 O HIS A 43 -6.660 5.372 7.479 1.00 0.16 O ATOM 657 CB HIS A 43 -3.535 6.386 7.678 1.00 0.23 C ATOM 658 CG HIS A 43 -3.924 5.908 9.043 1.00 0.27 C ATOM 659 ND1 HIS A 43 -3.272 4.864 9.672 1.00 0.30 N ATOM 660 CD2 HIS A 43 -4.917 6.302 9.898 1.00 0.28 C ATOM 661 CE1 HIS A 43 -3.877 4.662 10.857 1.00 0.32 C ATOM 662 NE2 HIS A 43 -4.891 5.513 11.046 1.00 0.31 N ATOM 0 H HIS A 43 -3.324 6.960 5.294 1.00 0.16 H new ATOM 0 HA HIS A 43 -4.371 4.655 6.653 1.00 0.18 H new ATOM 0 HB2 HIS A 43 -2.495 6.130 7.474 1.00 0.23 H new ATOM 0 HB3 HIS A 43 -3.613 7.472 7.626 1.00 0.23 H new ATOM 0 HD2 HIS A 43 -5.616 7.104 9.711 1.00 0.28 H new ATOM 0 HE1 HIS A 43 -3.580 3.905 11.568 1.00 0.32 H new ATOM 0 HE2 HIS A 43 -5.510 5.572 11.854 1.00 0.31 H new ATOM 670 N SER A 44 -6.262 7.338 6.599 1.00 0.15 N ATOM 671 CA SER A 44 -7.648 7.798 6.878 1.00 0.15 C ATOM 672 C SER A 44 -8.656 6.935 6.112 1.00 0.13 C ATOM 673 O SER A 44 -9.709 6.601 6.613 1.00 0.15 O ATOM 674 CB SER A 44 -7.802 9.262 6.474 1.00 0.18 C ATOM 675 OG SER A 44 -6.945 10.058 7.285 1.00 0.22 O ATOM 0 H SER A 44 -5.661 8.025 6.142 1.00 0.15 H new ATOM 0 HA SER A 44 -7.843 7.701 7.946 1.00 0.15 H new ATOM 0 HB2 SER A 44 -7.551 9.391 5.421 1.00 0.18 H new ATOM 0 HB3 SER A 44 -8.838 9.579 6.596 1.00 0.18 H new ATOM 0 HG SER A 44 -6.011 9.881 7.046 1.00 0.22 H new ATOM 681 N LEU A 45 -8.343 6.587 4.891 1.00 0.12 N ATOM 682 CA LEU A 45 -9.289 5.764 4.078 1.00 0.14 C ATOM 683 C LEU A 45 -9.547 4.419 4.752 1.00 0.13 C ATOM 684 O LEU A 45 -10.547 3.774 4.506 1.00 0.15 O ATOM 685 CB LEU A 45 -8.713 5.517 2.681 1.00 0.16 C ATOM 686 CG LEU A 45 -8.759 6.807 1.837 1.00 0.18 C ATOM 687 CD1 LEU A 45 -7.758 6.699 0.683 1.00 0.20 C ATOM 688 CD2 LEU A 45 -10.163 7.008 1.244 1.00 0.22 C ATOM 0 H LEU A 45 -7.473 6.837 4.421 1.00 0.12 H new ATOM 0 HA LEU A 45 -10.227 6.313 3.996 1.00 0.14 H new ATOM 0 HB2 LEU A 45 -7.684 5.167 2.763 1.00 0.16 H new ATOM 0 HB3 LEU A 45 -9.279 4.730 2.183 1.00 0.16 H new ATOM 0 HG LEU A 45 -8.509 7.651 2.480 1.00 0.18 H new ATOM 0 HD11 LEU A 45 -7.791 7.611 0.087 1.00 0.20 H new ATOM 0 HD12 LEU A 45 -6.754 6.563 1.084 1.00 0.20 H new ATOM 0 HD13 LEU A 45 -8.016 5.846 0.056 1.00 0.20 H new ATOM 0 HD21 LEU A 45 -10.180 7.922 0.651 1.00 0.22 H new ATOM 0 HD22 LEU A 45 -10.415 6.159 0.609 1.00 0.22 H new ATOM 0 HD23 LEU A 45 -10.891 7.086 2.051 1.00 0.22 H new ATOM 700 N SER A 46 -8.656 3.973 5.586 1.00 0.12 N ATOM 701 CA SER A 46 -8.869 2.658 6.247 1.00 0.12 C ATOM 702 C SER A 46 -10.238 2.660 6.918 1.00 0.14 C ATOM 703 O SER A 46 -10.925 1.661 6.950 1.00 0.16 O ATOM 704 CB SER A 46 -7.781 2.438 7.296 1.00 0.13 C ATOM 705 OG SER A 46 -6.515 2.449 6.653 1.00 0.14 O ATOM 0 H SER A 46 -7.794 4.457 5.839 1.00 0.12 H new ATOM 0 HA SER A 46 -8.823 1.857 5.509 1.00 0.12 H new ATOM 0 HB2 SER A 46 -7.825 3.219 8.055 1.00 0.13 H new ATOM 0 HB3 SER A 46 -7.936 1.488 7.807 1.00 0.13 H new ATOM 0 HG SER A 46 -6.130 3.349 6.705 1.00 0.14 H new ATOM 711 N GLU A 47 -10.649 3.778 7.443 1.00 0.15 N ATOM 712 CA GLU A 47 -11.984 3.847 8.096 1.00 0.18 C ATOM 713 C GLU A 47 -13.036 4.217 7.042 1.00 0.18 C ATOM 714 O GLU A 47 -14.223 4.078 7.268 1.00 0.21 O ATOM 715 CB GLU A 47 -11.954 4.922 9.192 1.00 0.22 C ATOM 716 CG GLU A 47 -11.088 4.447 10.366 1.00 0.23 C ATOM 717 CD GLU A 47 -9.607 4.466 9.973 1.00 1.34 C ATOM 718 OE1 GLU A 47 -9.287 5.069 8.962 1.00 2.16 O ATOM 719 OE2 GLU A 47 -8.817 3.876 10.693 1.00 2.05 O ATOM 0 H GLU A 47 -10.118 4.649 7.448 1.00 0.15 H new ATOM 0 HA GLU A 47 -12.233 2.883 8.540 1.00 0.18 H new ATOM 0 HB2 GLU A 47 -11.556 5.853 8.789 1.00 0.22 H new ATOM 0 HB3 GLU A 47 -12.967 5.130 9.537 1.00 0.22 H new ATOM 0 HG2 GLU A 47 -11.251 5.090 11.231 1.00 0.23 H new ATOM 0 HG3 GLU A 47 -11.381 3.439 10.659 1.00 0.23 H new ATOM 726 N LYS A 48 -12.615 4.664 5.881 1.00 0.17 N ATOM 727 CA LYS A 48 -13.603 5.009 4.814 1.00 0.19 C ATOM 728 C LYS A 48 -14.076 3.712 4.182 1.00 0.18 C ATOM 729 O LYS A 48 -15.242 3.528 3.898 1.00 0.21 O ATOM 730 CB LYS A 48 -12.936 5.879 3.745 1.00 0.20 C ATOM 731 CG LYS A 48 -13.958 6.311 2.683 1.00 0.30 C ATOM 732 CD LYS A 48 -14.966 7.306 3.280 1.00 0.82 C ATOM 733 CE LYS A 48 -15.635 8.090 2.151 1.00 1.03 C ATOM 734 NZ LYS A 48 -14.623 8.972 1.503 1.00 1.78 N ATOM 0 H LYS A 48 -11.636 4.803 5.630 1.00 0.17 H new ATOM 0 HA LYS A 48 -14.441 5.560 5.241 1.00 0.19 H new ATOM 0 HB2 LYS A 48 -12.493 6.760 4.210 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -12.125 5.325 3.272 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -13.443 6.769 1.839 1.00 0.30 H new ATOM 0 HG3 LYS A 48 -14.484 5.437 2.299 1.00 0.30 H new ATOM 0 HD2 LYS A 48 -15.718 6.774 3.863 1.00 0.82 H new ATOM 0 HD3 LYS A 48 -14.459 7.989 3.961 1.00 0.82 H new ATOM 0 HE2 LYS A 48 -16.061 7.405 1.418 1.00 1.03 H new ATOM 0 HE3 LYS A 48 -16.458 8.687 2.544 1.00 1.03 H new ATOM 0 HZ1 LYS A 48 -15.089 9.831 1.146 1.00 1.78 H new ATOM 0 HZ2 LYS A 48 -13.896 9.236 2.198 1.00 1.78 H new ATOM 0 HZ3 LYS A 48 -14.177 8.466 0.711 1.00 1.78 H new ATOM 748 N TYR A 49 -13.162 2.796 3.992 1.00 0.16 N ATOM 749 CA TYR A 49 -13.516 1.462 3.417 1.00 0.17 C ATOM 750 C TYR A 49 -13.041 0.419 4.409 1.00 0.16 C ATOM 751 O TYR A 49 -12.102 -0.314 4.166 1.00 0.16 O ATOM 752 CB TYR A 49 -12.810 1.246 2.072 1.00 0.17 C ATOM 753 CG TYR A 49 -13.289 2.277 1.083 1.00 0.17 C ATOM 754 CD1 TYR A 49 -14.513 2.092 0.432 1.00 0.22 C ATOM 755 CD2 TYR A 49 -12.521 3.417 0.825 1.00 0.19 C ATOM 756 CE1 TYR A 49 -14.971 3.048 -0.480 1.00 0.25 C ATOM 757 CE2 TYR A 49 -12.979 4.374 -0.088 1.00 0.20 C ATOM 758 CZ TYR A 49 -14.205 4.191 -0.739 1.00 0.21 C ATOM 759 OH TYR A 49 -14.653 5.135 -1.640 1.00 0.25 O ATOM 0 H TYR A 49 -12.174 2.916 4.213 1.00 0.16 H new ATOM 0 HA TYR A 49 -14.590 1.395 3.244 1.00 0.17 H new ATOM 0 HB2 TYR A 49 -11.730 1.323 2.199 1.00 0.17 H new ATOM 0 HB3 TYR A 49 -13.016 0.243 1.697 1.00 0.17 H new ATOM 0 HD1 TYR A 49 -15.104 1.211 0.634 1.00 0.22 H new ATOM 0 HD2 TYR A 49 -11.576 3.559 1.329 1.00 0.19 H new ATOM 0 HE1 TYR A 49 -15.915 2.905 -0.984 1.00 0.25 H new ATOM 0 HE2 TYR A 49 -12.386 5.254 -0.290 1.00 0.20 H new ATOM 0 HH TYR A 49 -14.001 5.865 -1.700 1.00 0.25 H new ATOM 769 N SER A 50 -13.688 0.354 5.535 1.00 0.17 N ATOM 770 CA SER A 50 -13.286 -0.622 6.568 1.00 0.18 C ATOM 771 C SER A 50 -13.481 -2.026 6.010 1.00 0.19 C ATOM 772 O SER A 50 -13.057 -3.004 6.591 1.00 0.21 O ATOM 773 CB SER A 50 -14.143 -0.421 7.811 1.00 0.20 C ATOM 774 OG SER A 50 -15.474 -0.841 7.540 1.00 0.22 O ATOM 0 H SER A 50 -14.484 0.942 5.782 1.00 0.17 H new ATOM 0 HA SER A 50 -12.240 -0.482 6.839 1.00 0.18 H new ATOM 0 HB2 SER A 50 -13.733 -0.991 8.645 1.00 0.20 H new ATOM 0 HB3 SER A 50 -14.134 0.628 8.107 1.00 0.20 H new ATOM 0 HG SER A 50 -16.026 -0.714 8.339 1.00 0.22 H new ATOM 780 N ASN A 51 -14.109 -2.131 4.866 1.00 0.20 N ATOM 781 CA ASN A 51 -14.321 -3.467 4.248 1.00 0.23 C ATOM 782 C ASN A 51 -13.125 -3.773 3.353 1.00 0.19 C ATOM 783 O ASN A 51 -13.102 -4.749 2.631 1.00 0.22 O ATOM 784 CB ASN A 51 -15.602 -3.444 3.407 1.00 0.32 C ATOM 785 CG ASN A 51 -16.052 -4.876 3.113 1.00 0.54 C ATOM 786 OD1 ASN A 51 -16.539 -5.564 3.989 1.00 1.13 O ATOM 787 ND2 ASN A 51 -15.906 -5.360 1.909 1.00 0.27 N ATOM 0 H ASN A 51 -14.483 -1.345 4.335 1.00 0.20 H new ATOM 0 HA ASN A 51 -14.419 -4.231 5.020 1.00 0.23 H new ATOM 0 HB2 ASN A 51 -16.388 -2.908 3.939 1.00 0.32 H new ATOM 0 HB3 ASN A 51 -15.426 -2.909 2.474 1.00 0.32 H new ATOM 0 HD21 ASN A 51 -16.201 -6.315 1.704 1.00 0.27 H new ATOM 0 HD22 ASN A 51 -15.497 -4.783 1.174 1.00 0.27 H new ATOM 794 N VAL A 52 -12.119 -2.939 3.422 1.00 0.21 N ATOM 795 CA VAL A 52 -10.888 -3.142 2.612 1.00 0.17 C ATOM 796 C VAL A 52 -9.691 -3.123 3.560 1.00 0.13 C ATOM 797 O VAL A 52 -9.669 -2.383 4.524 1.00 0.14 O ATOM 798 CB VAL A 52 -10.753 -2.016 1.578 1.00 0.19 C ATOM 799 CG1 VAL A 52 -9.361 -2.076 0.922 1.00 0.19 C ATOM 800 CG2 VAL A 52 -11.842 -2.180 0.508 1.00 0.24 C ATOM 0 H VAL A 52 -12.102 -2.111 4.018 1.00 0.21 H new ATOM 0 HA VAL A 52 -10.936 -4.093 2.082 1.00 0.17 H new ATOM 0 HB VAL A 52 -10.870 -1.051 2.071 1.00 0.19 H new ATOM 0 HG11 VAL A 52 -9.270 -1.275 0.189 1.00 0.19 H new ATOM 0 HG12 VAL A 52 -8.593 -1.958 1.686 1.00 0.19 H new ATOM 0 HG13 VAL A 52 -9.234 -3.038 0.426 1.00 0.19 H new ATOM 0 HG21 VAL A 52 -11.751 -1.382 -0.229 1.00 0.24 H new ATOM 0 HG22 VAL A 52 -11.725 -3.145 0.015 1.00 0.24 H new ATOM 0 HG23 VAL A 52 -12.824 -2.129 0.978 1.00 0.24 H new ATOM 810 N ILE A 53 -8.704 -3.943 3.313 1.00 0.11 N ATOM 811 CA ILE A 53 -7.516 -3.981 4.224 1.00 0.09 C ATOM 812 C ILE A 53 -6.384 -3.126 3.633 1.00 0.09 C ATOM 813 O ILE A 53 -5.920 -3.372 2.537 1.00 0.12 O ATOM 814 CB ILE A 53 -7.035 -5.434 4.350 1.00 0.11 C ATOM 815 CG1 ILE A 53 -8.224 -6.349 4.694 1.00 0.13 C ATOM 816 CG2 ILE A 53 -5.957 -5.548 5.441 1.00 0.13 C ATOM 817 CD1 ILE A 53 -8.946 -5.849 5.951 1.00 0.15 C ATOM 0 H ILE A 53 -8.666 -4.587 2.523 1.00 0.11 H new ATOM 0 HA ILE A 53 -7.792 -3.589 5.203 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.605 -5.745 3.398 1.00 0.11 H new ATOM 0 HG12 ILE A 53 -8.921 -6.379 3.856 1.00 0.13 H new ATOM 0 HG13 ILE A 53 -7.871 -7.368 4.852 1.00 0.13 H new ATOM 0 HG21 ILE A 53 -5.626 -6.584 5.519 1.00 0.13 H new ATOM 0 HG22 ILE A 53 -5.109 -4.914 5.182 1.00 0.13 H new ATOM 0 HG23 ILE A 53 -6.371 -5.227 6.397 1.00 0.13 H new ATOM 0 HD11 ILE A 53 -9.783 -6.510 6.177 1.00 0.15 H new ATOM 0 HD12 ILE A 53 -8.252 -5.843 6.791 1.00 0.15 H new ATOM 0 HD13 ILE A 53 -9.317 -4.839 5.780 1.00 0.15 H new ATOM 829 N PHE A 54 -5.932 -2.127 4.360 1.00 0.08 N ATOM 830 CA PHE A 54 -4.818 -1.252 3.852 1.00 0.09 C ATOM 831 C PHE A 54 -3.500 -1.664 4.523 1.00 0.09 C ATOM 832 O PHE A 54 -3.400 -1.695 5.735 1.00 0.12 O ATOM 833 CB PHE A 54 -5.102 0.214 4.210 1.00 0.10 C ATOM 834 CG PHE A 54 -6.301 0.720 3.443 1.00 0.09 C ATOM 835 CD1 PHE A 54 -7.586 0.312 3.811 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.129 1.603 2.366 1.00 0.10 C ATOM 837 CE1 PHE A 54 -8.700 0.781 3.104 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.243 2.071 1.658 1.00 0.11 C ATOM 839 CZ PHE A 54 -8.528 1.660 2.028 1.00 0.10 C ATOM 0 H PHE A 54 -6.286 -1.879 5.284 1.00 0.08 H new ATOM 0 HA PHE A 54 -4.746 -1.365 2.770 1.00 0.09 H new ATOM 0 HB2 PHE A 54 -5.282 0.305 5.281 1.00 0.10 H new ATOM 0 HB3 PHE A 54 -4.230 0.827 3.980 1.00 0.10 H new ATOM 0 HD1 PHE A 54 -7.720 -0.366 4.641 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.137 1.922 2.083 1.00 0.10 H new ATOM 0 HE1 PHE A 54 -9.692 0.464 3.389 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.110 2.748 0.827 1.00 0.11 H new ATOM 0 HZ PHE A 54 -9.388 2.021 1.483 1.00 0.10 H new ATOM 849 N LEU A 55 -2.478 -1.968 3.748 1.00 0.09 N ATOM 850 CA LEU A 55 -1.146 -2.363 4.335 1.00 0.11 C ATOM 851 C LEU A 55 -0.117 -1.269 4.081 1.00 0.10 C ATOM 852 O LEU A 55 -0.098 -0.642 3.039 1.00 0.10 O ATOM 853 CB LEU A 55 -0.610 -3.677 3.719 1.00 0.12 C ATOM 854 CG LEU A 55 -1.320 -4.903 4.310 1.00 0.15 C ATOM 855 CD1 LEU A 55 -2.832 -4.706 4.323 1.00 0.20 C ATOM 856 CD2 LEU A 55 -0.970 -6.139 3.476 1.00 0.22 C ATOM 0 H LEU A 55 -2.508 -1.960 2.728 1.00 0.09 H new ATOM 0 HA LEU A 55 -1.302 -2.509 5.404 1.00 0.11 H new ATOM 0 HB2 LEU A 55 -0.752 -3.658 2.638 1.00 0.12 H new ATOM 0 HB3 LEU A 55 0.462 -3.754 3.899 1.00 0.12 H new ATOM 0 HG LEU A 55 -0.984 -5.038 5.338 1.00 0.15 H new ATOM 0 HD11 LEU A 55 -3.310 -5.589 4.746 1.00 0.20 H new ATOM 0 HD12 LEU A 55 -3.080 -3.834 4.928 1.00 0.20 H new ATOM 0 HD13 LEU A 55 -3.188 -4.554 3.304 1.00 0.20 H new ATOM 0 HD21 LEU A 55 -1.472 -7.013 3.892 1.00 0.22 H new ATOM 0 HD22 LEU A 55 -1.297 -5.988 2.447 1.00 0.22 H new ATOM 0 HD23 LEU A 55 0.108 -6.297 3.495 1.00 0.22 H new ATOM 868 N GLU A 56 0.769 -1.077 5.022 1.00 0.12 N ATOM 869 CA GLU A 56 1.855 -0.069 4.869 1.00 0.13 C ATOM 870 C GLU A 56 3.169 -0.833 4.774 1.00 0.13 C ATOM 871 O GLU A 56 3.429 -1.727 5.557 1.00 0.14 O ATOM 872 CB GLU A 56 1.883 0.860 6.083 1.00 0.15 C ATOM 873 CG GLU A 56 2.883 1.992 5.833 1.00 0.17 C ATOM 874 CD GLU A 56 3.018 2.836 7.105 1.00 0.20 C ATOM 875 OE1 GLU A 56 2.348 2.519 8.076 1.00 1.05 O ATOM 876 OE2 GLU A 56 3.789 3.782 7.089 1.00 1.13 O ATOM 0 H GLU A 56 0.785 -1.586 5.906 1.00 0.12 H new ATOM 0 HA GLU A 56 1.693 0.540 3.979 1.00 0.13 H new ATOM 0 HB2 GLU A 56 0.890 1.271 6.264 1.00 0.15 H new ATOM 0 HB3 GLU A 56 2.164 0.302 6.976 1.00 0.15 H new ATOM 0 HG2 GLU A 56 3.852 1.581 5.550 1.00 0.17 H new ATOM 0 HG3 GLU A 56 2.546 2.614 5.004 1.00 0.17 H new ATOM 883 N VAL A 57 3.988 -0.515 3.808 1.00 0.12 N ATOM 884 CA VAL A 57 5.287 -1.241 3.637 1.00 0.12 C ATOM 885 C VAL A 57 6.435 -0.233 3.550 1.00 0.11 C ATOM 886 O VAL A 57 6.376 0.734 2.817 1.00 0.13 O ATOM 887 CB VAL A 57 5.233 -2.055 2.348 1.00 0.12 C ATOM 888 CG1 VAL A 57 6.595 -2.701 2.098 1.00 0.15 C ATOM 889 CG2 VAL A 57 4.168 -3.146 2.478 1.00 0.14 C ATOM 0 H VAL A 57 3.815 0.221 3.124 1.00 0.12 H new ATOM 0 HA VAL A 57 5.452 -1.901 4.489 1.00 0.12 H new ATOM 0 HB VAL A 57 4.982 -1.400 1.514 1.00 0.12 H new ATOM 0 HG11 VAL A 57 6.558 -3.283 1.177 1.00 0.15 H new ATOM 0 HG12 VAL A 57 7.355 -1.925 2.006 1.00 0.15 H new ATOM 0 HG13 VAL A 57 6.845 -3.357 2.932 1.00 0.15 H new ATOM 0 HG21 VAL A 57 4.129 -3.728 1.557 1.00 0.14 H new ATOM 0 HG22 VAL A 57 4.419 -3.802 3.312 1.00 0.14 H new ATOM 0 HG23 VAL A 57 3.196 -2.686 2.658 1.00 0.14 H new ATOM 899 N ASP A 58 7.482 -0.460 4.294 1.00 0.10 N ATOM 900 CA ASP A 58 8.651 0.467 4.273 1.00 0.09 C ATOM 901 C ASP A 58 9.688 -0.068 3.288 1.00 0.09 C ATOM 902 O ASP A 58 10.209 -1.152 3.455 1.00 0.09 O ATOM 903 CB ASP A 58 9.265 0.494 5.670 1.00 0.10 C ATOM 904 CG ASP A 58 10.300 1.619 5.774 1.00 0.11 C ATOM 905 OD1 ASP A 58 10.438 2.365 4.818 1.00 1.02 O ATOM 906 OD2 ASP A 58 10.931 1.719 6.814 1.00 1.05 O ATOM 0 H ASP A 58 7.579 -1.257 4.923 1.00 0.10 H new ATOM 0 HA ASP A 58 8.338 1.468 3.975 1.00 0.09 H new ATOM 0 HB2 ASP A 58 8.483 0.640 6.416 1.00 0.10 H new ATOM 0 HB3 ASP A 58 9.737 -0.465 5.886 1.00 0.10 H new ATOM 911 N VAL A 59 10.025 0.672 2.281 1.00 0.09 N ATOM 912 CA VAL A 59 11.046 0.158 1.335 1.00 0.10 C ATOM 913 C VAL A 59 12.366 0.034 2.092 1.00 0.11 C ATOM 914 O VAL A 59 13.274 -0.652 1.669 1.00 0.12 O ATOM 915 CB VAL A 59 11.222 1.139 0.174 1.00 0.12 C ATOM 916 CG1 VAL A 59 9.907 1.262 -0.587 1.00 0.14 C ATOM 917 CG2 VAL A 59 11.628 2.511 0.717 1.00 0.16 C ATOM 0 H VAL A 59 9.647 1.596 2.071 1.00 0.09 H new ATOM 0 HA VAL A 59 10.735 -0.808 0.936 1.00 0.10 H new ATOM 0 HB VAL A 59 11.999 0.772 -0.496 1.00 0.12 H new ATOM 0 HG11 VAL A 59 10.030 1.960 -1.415 1.00 0.14 H new ATOM 0 HG12 VAL A 59 9.619 0.285 -0.976 1.00 0.14 H new ATOM 0 HG13 VAL A 59 9.131 1.628 0.085 1.00 0.14 H new ATOM 0 HG21 VAL A 59 11.753 3.208 -0.112 1.00 0.16 H new ATOM 0 HG22 VAL A 59 10.853 2.881 1.388 1.00 0.16 H new ATOM 0 HG23 VAL A 59 12.568 2.423 1.262 1.00 0.16 H new ATOM 927 N ASP A 60 12.490 0.727 3.198 1.00 0.10 N ATOM 928 CA ASP A 60 13.765 0.678 3.979 1.00 0.12 C ATOM 929 C ASP A 60 13.740 -0.402 5.076 1.00 0.13 C ATOM 930 O ASP A 60 14.719 -1.095 5.276 1.00 0.15 O ATOM 931 CB ASP A 60 13.996 2.051 4.617 1.00 0.14 C ATOM 932 CG ASP A 60 14.583 3.011 3.574 1.00 0.16 C ATOM 933 OD1 ASP A 60 14.576 2.660 2.405 1.00 1.08 O ATOM 934 OD2 ASP A 60 15.049 4.067 3.965 1.00 1.07 O ATOM 0 H ASP A 60 11.764 1.324 3.593 1.00 0.10 H new ATOM 0 HA ASP A 60 14.574 0.421 3.295 1.00 0.12 H new ATOM 0 HB2 ASP A 60 13.056 2.447 5.002 1.00 0.14 H new ATOM 0 HB3 ASP A 60 14.675 1.960 5.465 1.00 0.14 H new ATOM 939 N ASP A 61 12.655 -0.564 5.795 1.00 0.13 N ATOM 940 CA ASP A 61 12.627 -1.611 6.875 1.00 0.15 C ATOM 941 C ASP A 61 12.000 -2.884 6.316 1.00 0.14 C ATOM 942 O ASP A 61 12.165 -3.962 6.854 1.00 0.19 O ATOM 943 CB ASP A 61 11.814 -1.109 8.074 1.00 0.16 C ATOM 944 CG ASP A 61 12.483 0.144 8.643 1.00 0.19 C ATOM 945 OD1 ASP A 61 13.506 0.539 8.109 1.00 1.07 O ATOM 946 OD2 ASP A 61 11.958 0.692 9.599 1.00 1.01 O ATOM 0 H ASP A 61 11.796 -0.026 5.686 1.00 0.13 H new ATOM 0 HA ASP A 61 13.644 -1.819 7.208 1.00 0.15 H new ATOM 0 HB2 ASP A 61 10.792 -0.884 7.768 1.00 0.16 H new ATOM 0 HB3 ASP A 61 11.754 -1.884 8.839 1.00 0.16 H new ATOM 951 N ALA A 62 11.293 -2.761 5.223 1.00 0.11 N ATOM 952 CA ALA A 62 10.653 -3.946 4.579 1.00 0.12 C ATOM 953 C ALA A 62 11.146 -4.014 3.137 1.00 0.11 C ATOM 954 O ALA A 62 10.401 -4.286 2.217 1.00 0.12 O ATOM 955 CB ALA A 62 9.127 -3.805 4.613 1.00 0.14 C ATOM 0 H ALA A 62 11.130 -1.876 4.743 1.00 0.11 H new ATOM 0 HA ALA A 62 10.917 -4.859 5.113 1.00 0.12 H new ATOM 0 HB1 ALA A 62 8.671 -4.675 4.141 1.00 0.14 H new ATOM 0 HB2 ALA A 62 8.791 -3.736 5.648 1.00 0.14 H new ATOM 0 HB3 ALA A 62 8.833 -2.904 4.075 1.00 0.14 H new ATOM 961 N GLN A 63 12.408 -3.750 2.944 1.00 0.11 N ATOM 962 CA GLN A 63 12.987 -3.770 1.574 1.00 0.12 C ATOM 963 C GLN A 63 12.818 -5.166 0.969 1.00 0.12 C ATOM 964 O GLN A 63 12.890 -5.342 -0.227 1.00 0.14 O ATOM 965 CB GLN A 63 14.478 -3.414 1.650 1.00 0.13 C ATOM 966 CG GLN A 63 15.242 -4.542 2.346 1.00 0.15 C ATOM 967 CD GLN A 63 16.655 -4.067 2.681 1.00 0.77 C ATOM 968 OE1 GLN A 63 17.454 -3.824 1.798 1.00 1.47 O ATOM 969 NE2 GLN A 63 16.997 -3.917 3.930 1.00 1.43 N ATOM 0 H GLN A 63 13.069 -3.519 3.686 1.00 0.11 H new ATOM 0 HA GLN A 63 12.472 -3.043 0.946 1.00 0.12 H new ATOM 0 HB2 GLN A 63 14.876 -3.257 0.647 1.00 0.13 H new ATOM 0 HB3 GLN A 63 14.612 -2.480 2.196 1.00 0.13 H new ATOM 0 HG2 GLN A 63 14.722 -4.841 3.256 1.00 0.15 H new ATOM 0 HG3 GLN A 63 15.285 -5.419 1.701 1.00 0.15 H new ATOM 0 HE21 GLN A 63 16.326 -4.121 4.671 1.00 1.43 H new ATOM 0 HE22 GLN A 63 17.936 -3.596 4.167 1.00 1.43 H new ATOM 978 N ASP A 64 12.593 -6.160 1.781 1.00 0.13 N ATOM 979 CA ASP A 64 12.420 -7.532 1.233 1.00 0.13 C ATOM 980 C ASP A 64 11.195 -7.549 0.325 1.00 0.15 C ATOM 981 O ASP A 64 11.190 -8.175 -0.717 1.00 0.16 O ATOM 982 CB ASP A 64 12.221 -8.524 2.385 1.00 0.17 C ATOM 983 CG ASP A 64 11.135 -8.009 3.330 1.00 0.21 C ATOM 984 OD1 ASP A 64 9.975 -8.133 2.984 1.00 1.05 O ATOM 985 OD2 ASP A 64 11.483 -7.509 4.387 1.00 1.02 O ATOM 0 H ASP A 64 12.522 -6.082 2.796 1.00 0.13 H new ATOM 0 HA ASP A 64 13.305 -7.818 0.665 1.00 0.13 H new ATOM 0 HB2 ASP A 64 11.940 -9.501 1.991 1.00 0.17 H new ATOM 0 HB3 ASP A 64 13.156 -8.656 2.929 1.00 0.17 H new ATOM 990 N VAL A 65 10.154 -6.864 0.708 1.00 0.17 N ATOM 991 CA VAL A 65 8.929 -6.843 -0.136 1.00 0.22 C ATOM 992 C VAL A 65 9.163 -5.973 -1.367 1.00 0.22 C ATOM 993 O VAL A 65 8.777 -6.316 -2.467 1.00 0.26 O ATOM 994 CB VAL A 65 7.774 -6.233 0.664 1.00 0.26 C ATOM 995 CG1 VAL A 65 6.464 -6.398 -0.118 1.00 0.35 C ATOM 996 CG2 VAL A 65 7.657 -6.928 2.028 1.00 0.32 C ATOM 0 H VAL A 65 10.099 -6.319 1.568 1.00 0.17 H new ATOM 0 HA VAL A 65 8.691 -7.863 -0.438 1.00 0.22 H new ATOM 0 HB VAL A 65 7.969 -5.172 0.823 1.00 0.26 H new ATOM 0 HG11 VAL A 65 5.643 -5.964 0.452 1.00 0.35 H new ATOM 0 HG12 VAL A 65 6.547 -5.890 -1.079 1.00 0.35 H new ATOM 0 HG13 VAL A 65 6.270 -7.458 -0.284 1.00 0.35 H new ATOM 0 HG21 VAL A 65 6.833 -6.489 2.591 1.00 0.32 H new ATOM 0 HG22 VAL A 65 7.468 -7.991 1.880 1.00 0.32 H new ATOM 0 HG23 VAL A 65 8.586 -6.798 2.583 1.00 0.32 H new ATOM 1006 N ALA A 66 9.763 -4.832 -1.184 1.00 0.19 N ATOM 1007 CA ALA A 66 9.987 -3.922 -2.331 1.00 0.22 C ATOM 1008 C ALA A 66 11.011 -4.523 -3.300 1.00 0.23 C ATOM 1009 O ALA A 66 10.863 -4.433 -4.502 1.00 0.26 O ATOM 1010 CB ALA A 66 10.475 -2.565 -1.810 1.00 0.25 C ATOM 0 H ALA A 66 10.108 -4.492 -0.286 1.00 0.19 H new ATOM 0 HA ALA A 66 9.050 -3.786 -2.871 1.00 0.22 H new ATOM 0 HB1 ALA A 66 10.642 -1.891 -2.650 1.00 0.25 H new ATOM 0 HB2 ALA A 66 9.723 -2.138 -1.146 1.00 0.25 H new ATOM 0 HB3 ALA A 66 11.408 -2.700 -1.262 1.00 0.25 H new ATOM 1016 N SER A 67 12.051 -5.128 -2.793 1.00 0.21 N ATOM 1017 CA SER A 67 13.069 -5.720 -3.705 1.00 0.23 C ATOM 1018 C SER A 67 12.403 -6.784 -4.578 1.00 0.23 C ATOM 1019 O SER A 67 12.680 -6.903 -5.754 1.00 0.24 O ATOM 1020 CB SER A 67 14.185 -6.364 -2.880 1.00 0.23 C ATOM 1021 OG SER A 67 13.655 -7.466 -2.156 1.00 0.22 O ATOM 0 H SER A 67 12.238 -5.237 -1.796 1.00 0.21 H new ATOM 0 HA SER A 67 13.492 -4.938 -4.336 1.00 0.23 H new ATOM 0 HB2 SER A 67 14.991 -6.697 -3.534 1.00 0.23 H new ATOM 0 HB3 SER A 67 14.613 -5.634 -2.193 1.00 0.23 H new ATOM 0 HG SER A 67 13.180 -7.139 -1.363 1.00 0.22 H new ATOM 1027 N GLU A 68 11.514 -7.548 -4.011 1.00 0.23 N ATOM 1028 CA GLU A 68 10.811 -8.601 -4.799 1.00 0.25 C ATOM 1029 C GLU A 68 9.985 -7.952 -5.912 1.00 0.22 C ATOM 1030 O GLU A 68 9.884 -8.468 -7.008 1.00 0.24 O ATOM 1031 CB GLU A 68 9.884 -9.383 -3.867 1.00 0.29 C ATOM 1032 CG GLU A 68 9.221 -10.536 -4.627 1.00 0.32 C ATOM 1033 CD GLU A 68 8.221 -11.235 -3.705 1.00 1.27 C ATOM 1034 OE1 GLU A 68 7.233 -10.611 -3.354 1.00 1.96 O ATOM 1035 OE2 GLU A 68 8.462 -12.381 -3.367 1.00 2.06 O ATOM 0 H GLU A 68 11.241 -7.489 -3.030 1.00 0.23 H new ATOM 0 HA GLU A 68 11.544 -9.273 -5.245 1.00 0.25 H new ATOM 0 HB2 GLU A 68 10.451 -9.773 -3.022 1.00 0.29 H new ATOM 0 HB3 GLU A 68 9.121 -8.719 -3.460 1.00 0.29 H new ATOM 0 HG2 GLU A 68 8.713 -10.158 -5.515 1.00 0.32 H new ATOM 0 HG3 GLU A 68 9.976 -11.244 -4.969 1.00 0.32 H new ATOM 1042 N ALA A 69 9.367 -6.839 -5.624 1.00 0.20 N ATOM 1043 CA ALA A 69 8.514 -6.164 -6.643 1.00 0.20 C ATOM 1044 C ALA A 69 9.345 -5.228 -7.529 1.00 0.19 C ATOM 1045 O ALA A 69 8.826 -4.618 -8.443 1.00 0.20 O ATOM 1046 CB ALA A 69 7.434 -5.361 -5.917 1.00 0.23 C ATOM 0 H ALA A 69 9.417 -6.366 -4.722 1.00 0.20 H new ATOM 0 HA ALA A 69 8.062 -6.920 -7.286 1.00 0.20 H new ATOM 0 HB1 ALA A 69 6.800 -4.860 -6.648 1.00 0.23 H new ATOM 0 HB2 ALA A 69 6.827 -6.033 -5.310 1.00 0.23 H new ATOM 0 HB3 ALA A 69 7.904 -4.617 -5.274 1.00 0.23 H new ATOM 1052 N GLU A 70 10.618 -5.100 -7.268 1.00 0.18 N ATOM 1053 CA GLU A 70 11.470 -4.197 -8.103 1.00 0.18 C ATOM 1054 C GLU A 70 10.888 -2.790 -8.106 1.00 0.17 C ATOM 1055 O GLU A 70 10.732 -2.185 -9.147 1.00 0.18 O ATOM 1056 CB GLU A 70 11.542 -4.686 -9.553 1.00 0.22 C ATOM 1057 CG GLU A 70 12.166 -6.073 -9.609 1.00 0.24 C ATOM 1058 CD GLU A 70 13.632 -5.996 -9.180 1.00 1.24 C ATOM 1059 OE1 GLU A 70 14.187 -4.912 -9.234 1.00 2.02 O ATOM 1060 OE2 GLU A 70 14.175 -7.023 -8.804 1.00 2.02 O ATOM 0 H GLU A 70 11.107 -5.581 -6.513 1.00 0.18 H new ATOM 0 HA GLU A 70 12.471 -4.198 -7.671 1.00 0.18 H new ATOM 0 HB2 GLU A 70 10.542 -4.711 -9.986 1.00 0.22 H new ATOM 0 HB3 GLU A 70 12.131 -3.990 -10.151 1.00 0.22 H new ATOM 0 HG2 GLU A 70 11.621 -6.754 -8.955 1.00 0.24 H new ATOM 0 HG3 GLU A 70 12.093 -6.475 -10.620 1.00 0.24 H new ATOM 1067 N VAL A 71 10.568 -2.250 -6.968 1.00 0.15 N ATOM 1068 CA VAL A 71 9.992 -0.881 -6.968 1.00 0.14 C ATOM 1069 C VAL A 71 11.040 0.072 -7.531 1.00 0.14 C ATOM 1070 O VAL A 71 12.197 0.028 -7.161 1.00 0.16 O ATOM 1071 CB VAL A 71 9.651 -0.456 -5.542 1.00 0.13 C ATOM 1072 CG1 VAL A 71 8.939 0.897 -5.584 1.00 0.14 C ATOM 1073 CG2 VAL A 71 8.736 -1.502 -4.896 1.00 0.15 C ATOM 0 H VAL A 71 10.677 -2.687 -6.053 1.00 0.15 H new ATOM 0 HA VAL A 71 9.084 -0.862 -7.570 1.00 0.14 H new ATOM 0 HB VAL A 71 10.565 -0.373 -4.954 1.00 0.13 H new ATOM 0 HG11 VAL A 71 8.691 1.209 -4.570 1.00 0.14 H new ATOM 0 HG12 VAL A 71 9.593 1.638 -6.042 1.00 0.14 H new ATOM 0 HG13 VAL A 71 8.024 0.809 -6.170 1.00 0.14 H new ATOM 0 HG21 VAL A 71 8.495 -1.195 -3.878 1.00 0.15 H new ATOM 0 HG22 VAL A 71 7.817 -1.590 -5.476 1.00 0.15 H new ATOM 0 HG23 VAL A 71 9.244 -2.466 -4.874 1.00 0.15 H new ATOM 1083 N LYS A 72 10.648 0.918 -8.448 1.00 0.15 N ATOM 1084 CA LYS A 72 11.615 1.868 -9.064 1.00 0.16 C ATOM 1085 C LYS A 72 11.392 3.279 -8.514 1.00 0.15 C ATOM 1086 O LYS A 72 12.207 4.161 -8.708 1.00 0.16 O ATOM 1087 CB LYS A 72 11.409 1.858 -10.582 1.00 0.19 C ATOM 1088 CG LYS A 72 11.649 0.440 -11.138 1.00 0.23 C ATOM 1089 CD LYS A 72 13.152 0.171 -11.281 1.00 0.74 C ATOM 1090 CE LYS A 72 13.358 -1.134 -12.047 1.00 0.88 C ATOM 1091 NZ LYS A 72 14.817 -1.384 -12.215 1.00 1.60 N ATOM 0 H LYS A 72 9.692 0.990 -8.797 1.00 0.15 H new ATOM 0 HA LYS A 72 12.634 1.564 -8.825 1.00 0.16 H new ATOM 0 HB2 LYS A 72 10.397 2.185 -10.822 1.00 0.19 H new ATOM 0 HB3 LYS A 72 12.093 2.563 -11.055 1.00 0.19 H new ATOM 0 HG2 LYS A 72 11.202 -0.299 -10.473 1.00 0.23 H new ATOM 0 HG3 LYS A 72 11.160 0.334 -12.106 1.00 0.23 H new ATOM 0 HD2 LYS A 72 13.633 0.995 -11.808 1.00 0.74 H new ATOM 0 HD3 LYS A 72 13.617 0.107 -10.297 1.00 0.74 H new ATOM 0 HE2 LYS A 72 12.896 -1.961 -11.509 1.00 0.88 H new ATOM 0 HE3 LYS A 72 12.873 -1.077 -13.021 1.00 0.88 H new ATOM 0 HZ1 LYS A 72 14.959 -2.272 -12.737 1.00 1.60 H new ATOM 0 HZ2 LYS A 72 15.245 -0.599 -12.746 1.00 1.60 H new ATOM 0 HZ3 LYS A 72 15.267 -1.456 -11.280 1.00 1.60 H new ATOM 1105 N ALA A 73 10.304 3.511 -7.825 1.00 0.13 N ATOM 1106 CA ALA A 73 10.068 4.878 -7.274 1.00 0.13 C ATOM 1107 C ALA A 73 8.981 4.856 -6.189 1.00 0.11 C ATOM 1108 O ALA A 73 8.132 3.991 -6.164 1.00 0.12 O ATOM 1109 CB ALA A 73 9.640 5.808 -8.412 1.00 0.14 C ATOM 0 H ALA A 73 9.578 2.823 -7.622 1.00 0.13 H new ATOM 0 HA ALA A 73 10.992 5.238 -6.821 1.00 0.13 H new ATOM 0 HB1 ALA A 73 9.466 6.809 -8.018 1.00 0.14 H new ATOM 0 HB2 ALA A 73 10.427 5.847 -9.166 1.00 0.14 H new ATOM 0 HB3 ALA A 73 8.723 5.431 -8.864 1.00 0.14 H new ATOM 1115 N THR A 74 8.996 5.826 -5.306 1.00 0.11 N ATOM 1116 CA THR A 74 7.967 5.903 -4.223 1.00 0.11 C ATOM 1117 C THR A 74 7.349 7.308 -4.256 1.00 0.12 C ATOM 1118 O THR A 74 8.002 8.235 -4.677 1.00 0.15 O ATOM 1119 CB THR A 74 8.674 5.721 -2.874 1.00 0.12 C ATOM 1120 OG1 THR A 74 9.457 6.870 -2.612 1.00 0.15 O ATOM 1121 CG2 THR A 74 9.585 4.506 -2.936 1.00 0.14 C ATOM 0 H THR A 74 9.687 6.576 -5.290 1.00 0.11 H new ATOM 0 HA THR A 74 7.202 5.139 -4.360 1.00 0.11 H new ATOM 0 HB THR A 74 7.933 5.580 -2.087 1.00 0.12 H new ATOM 0 HG1 THR A 74 9.913 6.766 -1.751 1.00 0.15 H new ATOM 0 HG21 THR A 74 10.087 4.378 -1.977 1.00 0.14 H new ATOM 0 HG22 THR A 74 8.993 3.618 -3.157 1.00 0.14 H new ATOM 0 HG23 THR A 74 10.330 4.649 -3.719 1.00 0.14 H new ATOM 1129 N PRO A 75 6.144 7.504 -3.760 1.00 0.13 N ATOM 1130 CA PRO A 75 5.278 6.412 -3.221 1.00 0.10 C ATOM 1131 C PRO A 75 4.665 5.538 -4.324 1.00 0.09 C ATOM 1132 O PRO A 75 4.267 6.019 -5.368 1.00 0.10 O ATOM 1133 CB PRO A 75 4.187 7.211 -2.483 1.00 0.12 C ATOM 1134 CG PRO A 75 4.193 8.638 -3.056 1.00 0.15 C ATOM 1135 CD PRO A 75 5.575 8.881 -3.685 1.00 0.16 C ATOM 0 HA PRO A 75 5.826 5.706 -2.598 1.00 0.10 H new ATOM 0 HB2 PRO A 75 3.211 6.746 -2.622 1.00 0.12 H new ATOM 0 HB3 PRO A 75 4.383 7.227 -1.411 1.00 0.12 H new ATOM 0 HG2 PRO A 75 3.407 8.754 -3.802 1.00 0.15 H new ATOM 0 HG3 PRO A 75 3.997 9.367 -2.270 1.00 0.15 H new ATOM 0 HD2 PRO A 75 5.497 9.342 -4.670 1.00 0.16 H new ATOM 0 HD3 PRO A 75 6.189 9.541 -3.072 1.00 0.16 H new ATOM 1143 N THR A 76 4.550 4.259 -4.067 1.00 0.09 N ATOM 1144 CA THR A 76 3.924 3.324 -5.054 1.00 0.09 C ATOM 1145 C THR A 76 2.841 2.526 -4.343 1.00 0.10 C ATOM 1146 O THR A 76 3.030 2.033 -3.249 1.00 0.12 O ATOM 1147 CB THR A 76 4.969 2.366 -5.631 1.00 0.10 C ATOM 1148 OG1 THR A 76 5.978 3.114 -6.286 1.00 0.11 O ATOM 1149 CG2 THR A 76 4.302 1.408 -6.627 1.00 0.13 C ATOM 0 H THR A 76 4.867 3.817 -3.204 1.00 0.09 H new ATOM 0 HA THR A 76 3.498 3.900 -5.875 1.00 0.09 H new ATOM 0 HB THR A 76 5.414 1.784 -4.824 1.00 0.10 H new ATOM 0 HG1 THR A 76 6.770 3.169 -5.711 1.00 0.11 H new ATOM 0 HG21 THR A 76 5.050 0.728 -7.035 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.529 0.833 -6.117 1.00 0.13 H new ATOM 0 HG23 THR A 76 3.852 1.981 -7.438 1.00 0.13 H new ATOM 1157 N PHE A 77 1.698 2.420 -4.952 1.00 0.10 N ATOM 1158 CA PHE A 77 0.566 1.672 -4.330 1.00 0.10 C ATOM 1159 C PHE A 77 0.311 0.399 -5.141 1.00 0.10 C ATOM 1160 O PHE A 77 0.201 0.448 -6.348 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.676 2.562 -4.373 1.00 0.13 C ATOM 1162 CG PHE A 77 -0.405 3.837 -3.608 1.00 0.14 C ATOM 1163 CD1 PHE A 77 -0.593 3.881 -2.219 1.00 0.18 C ATOM 1164 CD2 PHE A 77 0.027 4.984 -4.292 1.00 0.14 C ATOM 1165 CE1 PHE A 77 -0.352 5.070 -1.517 1.00 0.20 C ATOM 1166 CE2 PHE A 77 0.271 6.173 -3.589 1.00 0.16 C ATOM 1167 CZ PHE A 77 0.080 6.216 -2.200 1.00 0.19 C ATOM 0 H PHE A 77 1.493 2.823 -5.866 1.00 0.10 H new ATOM 0 HA PHE A 77 0.799 1.406 -3.299 1.00 0.10 H new ATOM 0 HB2 PHE A 77 -0.936 2.793 -5.406 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.528 2.038 -3.939 1.00 0.13 H new ATOM 0 HD1 PHE A 77 -0.923 2.999 -1.690 1.00 0.18 H new ATOM 0 HD2 PHE A 77 0.172 4.951 -5.362 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.499 5.104 -0.448 1.00 0.20 H new ATOM 0 HE2 PHE A 77 0.605 7.054 -4.116 1.00 0.16 H new ATOM 0 HZ PHE A 77 0.266 7.131 -1.657 1.00 0.19 H new ATOM 1177 N GLN A 78 0.193 -0.739 -4.492 1.00 0.09 N ATOM 1178 CA GLN A 78 -0.069 -2.014 -5.232 1.00 0.09 C ATOM 1179 C GLN A 78 -1.343 -2.648 -4.698 1.00 0.08 C ATOM 1180 O GLN A 78 -1.617 -2.626 -3.512 1.00 0.09 O ATOM 1181 CB GLN A 78 1.106 -2.980 -5.053 1.00 0.09 C ATOM 1182 CG GLN A 78 2.322 -2.448 -5.820 1.00 0.12 C ATOM 1183 CD GLN A 78 3.456 -3.478 -5.790 1.00 0.15 C ATOM 1184 OE1 GLN A 78 3.286 -4.572 -5.290 1.00 0.27 O ATOM 1185 NE2 GLN A 78 4.617 -3.168 -6.308 1.00 0.29 N ATOM 0 H GLN A 78 0.267 -0.837 -3.479 1.00 0.09 H new ATOM 0 HA GLN A 78 -0.184 -1.797 -6.294 1.00 0.09 H new ATOM 0 HB2 GLN A 78 1.347 -3.086 -3.995 1.00 0.09 H new ATOM 0 HB3 GLN A 78 0.836 -3.971 -5.419 1.00 0.09 H new ATOM 0 HG2 GLN A 78 2.045 -2.231 -6.852 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.660 -1.511 -5.377 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.759 -2.249 -6.728 1.00 0.29 H new ATOM 0 HE22 GLN A 78 5.380 -3.845 -6.292 1.00 0.29 H new ATOM 1194 N PHE A 79 -2.131 -3.200 -5.579 1.00 0.07 N ATOM 1195 CA PHE A 79 -3.419 -3.837 -5.164 1.00 0.07 C ATOM 1196 C PHE A 79 -3.323 -5.344 -5.273 1.00 0.07 C ATOM 1197 O PHE A 79 -2.838 -5.876 -6.250 1.00 0.08 O ATOM 1198 CB PHE A 79 -4.534 -3.342 -6.074 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.688 -1.864 -5.855 1.00 0.09 C ATOM 1200 CD1 PHE A 79 -3.818 -0.974 -6.488 1.00 0.08 C ATOM 1201 CD2 PHE A 79 -5.681 -1.385 -4.998 1.00 0.12 C ATOM 1202 CE1 PHE A 79 -3.944 0.398 -6.269 1.00 0.09 C ATOM 1203 CE2 PHE A 79 -5.808 -0.012 -4.775 1.00 0.14 C ATOM 1204 CZ PHE A 79 -4.939 0.881 -5.409 1.00 0.12 C ATOM 0 H PHE A 79 -1.938 -3.239 -6.580 1.00 0.07 H new ATOM 0 HA PHE A 79 -3.629 -3.570 -4.128 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.296 -3.550 -7.117 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.467 -3.860 -5.851 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -3.048 -1.348 -7.147 1.00 0.08 H new ATOM 0 HD2 PHE A 79 -6.351 -2.076 -4.508 1.00 0.12 H new ATOM 0 HE1 PHE A 79 -3.275 1.088 -6.762 1.00 0.09 H new ATOM 0 HE2 PHE A 79 -6.577 0.359 -4.114 1.00 0.14 H new ATOM 0 HZ PHE A 79 -5.035 1.943 -5.236 1.00 0.12 H new ATOM 1214 N PHE A 80 -3.804 -6.033 -4.274 1.00 0.08 N ATOM 1215 CA PHE A 80 -3.776 -7.519 -4.281 1.00 0.08 C ATOM 1216 C PHE A 80 -5.179 -8.053 -4.032 1.00 0.09 C ATOM 1217 O PHE A 80 -5.979 -7.441 -3.349 1.00 0.12 O ATOM 1218 CB PHE A 80 -2.827 -8.014 -3.193 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.399 -7.710 -3.583 1.00 0.10 C ATOM 1220 CD1 PHE A 80 -0.814 -6.475 -3.254 1.00 0.11 C ATOM 1221 CD2 PHE A 80 -0.646 -8.681 -4.259 1.00 0.12 C ATOM 1222 CE1 PHE A 80 0.515 -6.220 -3.607 1.00 0.13 C ATOM 1223 CE2 PHE A 80 0.683 -8.422 -4.604 1.00 0.14 C ATOM 1224 CZ PHE A 80 1.263 -7.194 -4.280 1.00 0.15 C ATOM 0 H PHE A 80 -4.222 -5.619 -3.440 1.00 0.08 H new ATOM 0 HA PHE A 80 -3.425 -7.876 -5.249 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -3.065 -7.533 -2.244 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -2.954 -9.087 -3.048 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.389 -5.726 -2.730 1.00 0.11 H new ATOM 0 HD2 PHE A 80 -1.094 -9.630 -4.513 1.00 0.12 H new ATOM 0 HE1 PHE A 80 0.965 -5.270 -3.360 1.00 0.13 H new ATOM 0 HE2 PHE A 80 1.262 -9.172 -5.122 1.00 0.14 H new ATOM 0 HZ PHE A 80 2.290 -6.995 -4.549 1.00 0.15 H new ATOM 1234 N LYS A 81 -5.484 -9.195 -4.585 1.00 0.09 N ATOM 1235 CA LYS A 81 -6.836 -9.785 -4.397 1.00 0.12 C ATOM 1236 C LYS A 81 -6.661 -11.307 -4.379 1.00 0.11 C ATOM 1237 O LYS A 81 -6.052 -11.874 -5.262 1.00 0.13 O ATOM 1238 CB LYS A 81 -7.707 -9.348 -5.581 1.00 0.17 C ATOM 1239 CG LYS A 81 -9.189 -9.637 -5.317 1.00 0.26 C ATOM 1240 CD LYS A 81 -9.755 -8.666 -4.262 1.00 0.73 C ATOM 1241 CE LYS A 81 -11.276 -8.577 -4.406 1.00 1.02 C ATOM 1242 NZ LYS A 81 -11.874 -9.908 -4.110 1.00 1.68 N ATOM 0 H LYS A 81 -4.849 -9.747 -5.162 1.00 0.09 H new ATOM 0 HA LYS A 81 -7.311 -9.460 -3.472 1.00 0.12 H new ATOM 0 HB2 LYS A 81 -7.569 -8.282 -5.763 1.00 0.17 H new ATOM 0 HB3 LYS A 81 -7.387 -9.870 -6.483 1.00 0.17 H new ATOM 0 HG2 LYS A 81 -9.754 -9.543 -6.245 1.00 0.26 H new ATOM 0 HG3 LYS A 81 -9.309 -10.665 -4.974 1.00 0.26 H new ATOM 0 HD2 LYS A 81 -9.494 -9.009 -3.261 1.00 0.73 H new ATOM 0 HD3 LYS A 81 -9.310 -7.679 -4.386 1.00 0.73 H new ATOM 0 HE2 LYS A 81 -11.675 -7.826 -3.724 1.00 1.02 H new ATOM 0 HE3 LYS A 81 -11.540 -8.263 -5.416 1.00 1.02 H new ATOM 0 HZ1 LYS A 81 -12.910 -9.845 -4.173 1.00 1.68 H new ATOM 0 HZ2 LYS A 81 -11.527 -10.605 -4.799 1.00 1.68 H new ATOM 0 HZ3 LYS A 81 -11.603 -10.205 -3.151 1.00 1.68 H new ATOM 1256 N LYS A 82 -7.146 -11.970 -3.367 1.00 0.12 N ATOM 1257 CA LYS A 82 -6.954 -13.448 -3.295 1.00 0.13 C ATOM 1258 C LYS A 82 -5.460 -13.755 -3.423 1.00 0.13 C ATOM 1259 O LYS A 82 -5.067 -14.758 -3.981 1.00 0.17 O ATOM 1260 CB LYS A 82 -7.719 -14.157 -4.420 1.00 0.16 C ATOM 1261 CG LYS A 82 -9.220 -13.856 -4.311 1.00 0.20 C ATOM 1262 CD LYS A 82 -10.023 -14.907 -5.082 1.00 0.32 C ATOM 1263 CE LYS A 82 -11.496 -14.490 -5.113 1.00 0.31 C ATOM 1264 NZ LYS A 82 -11.634 -13.217 -5.872 1.00 1.22 N ATOM 0 H LYS A 82 -7.664 -11.558 -2.591 1.00 0.12 H new ATOM 0 HA LYS A 82 -7.338 -13.809 -2.341 1.00 0.13 H new ATOM 0 HB2 LYS A 82 -7.344 -13.827 -5.389 1.00 0.16 H new ATOM 0 HB3 LYS A 82 -7.551 -15.232 -4.362 1.00 0.16 H new ATOM 0 HG2 LYS A 82 -9.523 -13.851 -3.264 1.00 0.20 H new ATOM 0 HG3 LYS A 82 -9.430 -12.863 -4.708 1.00 0.20 H new ATOM 0 HD2 LYS A 82 -9.638 -15.004 -6.097 1.00 0.32 H new ATOM 0 HD3 LYS A 82 -9.918 -15.883 -4.607 1.00 0.32 H new ATOM 0 HE2 LYS A 82 -12.097 -15.271 -5.579 1.00 0.31 H new ATOM 0 HE3 LYS A 82 -11.871 -14.363 -4.097 1.00 0.31 H new ATOM 0 HZ1 LYS A 82 -11.944 -12.461 -5.229 1.00 1.22 H new ATOM 0 HZ2 LYS A 82 -10.717 -12.961 -6.290 1.00 1.22 H new ATOM 0 HZ3 LYS A 82 -12.337 -13.338 -6.628 1.00 1.22 H new ATOM 1278 N GLY A 83 -4.624 -12.897 -2.904 1.00 0.13 N ATOM 1279 CA GLY A 83 -3.158 -13.140 -2.985 1.00 0.16 C ATOM 1280 C GLY A 83 -2.669 -12.916 -4.415 1.00 0.16 C ATOM 1281 O GLY A 83 -1.625 -13.405 -4.795 1.00 0.23 O ATOM 0 H GLY A 83 -4.895 -12.037 -2.427 1.00 0.13 H new ATOM 0 HA2 GLY A 83 -2.632 -12.472 -2.303 1.00 0.16 H new ATOM 0 HA3 GLY A 83 -2.932 -14.159 -2.670 1.00 0.16 H new ATOM 1285 N GLN A 84 -3.415 -12.182 -5.215 1.00 0.12 N ATOM 1286 CA GLN A 84 -2.992 -11.929 -6.634 1.00 0.15 C ATOM 1287 C GLN A 84 -2.926 -10.425 -6.917 1.00 0.12 C ATOM 1288 O GLN A 84 -3.832 -9.689 -6.599 1.00 0.13 O ATOM 1289 CB GLN A 84 -3.998 -12.574 -7.600 1.00 0.20 C ATOM 1290 CG GLN A 84 -3.903 -14.100 -7.526 1.00 0.33 C ATOM 1291 CD GLN A 84 -2.604 -14.557 -8.185 1.00 0.97 C ATOM 1292 OE1 GLN A 84 -2.310 -15.735 -8.228 1.00 0.95 O ATOM 1293 NE2 GLN A 84 -1.804 -13.666 -8.698 1.00 2.07 N ATOM 0 H GLN A 84 -4.298 -11.748 -4.945 1.00 0.12 H new ATOM 0 HA GLN A 84 -2.003 -12.365 -6.779 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -5.009 -12.253 -7.350 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -3.800 -12.240 -8.618 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -3.932 -14.428 -6.487 1.00 0.33 H new ATOM 0 HG3 GLN A 84 -4.758 -14.554 -8.027 1.00 0.33 H new ATOM 0 HE21 GLN A 84 -2.051 -12.677 -8.662 1.00 2.07 H new ATOM 0 HE22 GLN A 84 -0.930 -13.957 -9.136 1.00 2.07 H new ATOM 1302 N LYS A 85 -1.866 -9.969 -7.538 1.00 0.12 N ATOM 1303 CA LYS A 85 -1.744 -8.511 -7.851 1.00 0.12 C ATOM 1304 C LYS A 85 -2.597 -8.172 -9.080 1.00 0.14 C ATOM 1305 O LYS A 85 -2.450 -8.763 -10.132 1.00 0.21 O ATOM 1306 CB LYS A 85 -0.277 -8.188 -8.128 1.00 0.17 C ATOM 1307 CG LYS A 85 -0.108 -6.677 -8.330 1.00 0.20 C ATOM 1308 CD LYS A 85 1.344 -6.363 -8.708 1.00 0.28 C ATOM 1309 CE LYS A 85 2.265 -6.531 -7.495 1.00 1.28 C ATOM 1310 NZ LYS A 85 3.580 -5.894 -7.785 1.00 1.82 N ATOM 0 H LYS A 85 -1.080 -10.543 -7.842 1.00 0.12 H new ATOM 0 HA LYS A 85 -2.097 -7.919 -7.006 1.00 0.12 H new ATOM 0 HB2 LYS A 85 0.342 -8.525 -7.297 1.00 0.17 H new ATOM 0 HB3 LYS A 85 0.062 -8.723 -9.015 1.00 0.17 H new ATOM 0 HG2 LYS A 85 -0.781 -6.328 -9.113 1.00 0.20 H new ATOM 0 HG3 LYS A 85 -0.379 -6.146 -7.417 1.00 0.20 H new ATOM 0 HD2 LYS A 85 1.668 -7.025 -9.512 1.00 0.28 H new ATOM 0 HD3 LYS A 85 1.415 -5.343 -9.087 1.00 0.28 H new ATOM 0 HE2 LYS A 85 1.813 -6.075 -6.614 1.00 1.28 H new ATOM 0 HE3 LYS A 85 2.402 -7.589 -7.271 1.00 1.28 H new ATOM 0 HZ1 LYS A 85 4.076 -5.700 -6.892 1.00 1.82 H new ATOM 0 HZ2 LYS A 85 4.155 -6.535 -8.369 1.00 1.82 H new ATOM 0 HZ3 LYS A 85 3.428 -5.002 -8.297 1.00 1.82 H new ATOM 1324 N VAL A 86 -3.500 -7.225 -8.940 1.00 0.13 N ATOM 1325 CA VAL A 86 -4.388 -6.829 -10.080 1.00 0.18 C ATOM 1326 C VAL A 86 -4.263 -5.328 -10.362 1.00 0.17 C ATOM 1327 O VAL A 86 -5.046 -4.774 -11.107 1.00 0.22 O ATOM 1328 CB VAL A 86 -5.842 -7.146 -9.719 1.00 0.25 C ATOM 1329 CG1 VAL A 86 -6.043 -8.661 -9.648 1.00 0.30 C ATOM 1330 CG2 VAL A 86 -6.172 -6.530 -8.356 1.00 0.26 C ATOM 0 H VAL A 86 -3.659 -6.707 -8.076 1.00 0.13 H new ATOM 0 HA VAL A 86 -4.087 -7.385 -10.968 1.00 0.18 H new ATOM 0 HB VAL A 86 -6.499 -6.730 -10.483 1.00 0.25 H new ATOM 0 HG11 VAL A 86 -7.080 -8.879 -9.391 1.00 0.30 H new ATOM 0 HG12 VAL A 86 -5.808 -9.105 -10.615 1.00 0.30 H new ATOM 0 HG13 VAL A 86 -5.385 -9.080 -8.887 1.00 0.30 H new ATOM 0 HG21 VAL A 86 -7.207 -6.754 -8.096 1.00 0.26 H new ATOM 0 HG22 VAL A 86 -5.509 -6.947 -7.598 1.00 0.26 H new ATOM 0 HG23 VAL A 86 -6.035 -5.450 -8.402 1.00 0.26 H new ATOM 1340 N GLY A 87 -3.305 -4.651 -9.780 1.00 0.14 N ATOM 1341 CA GLY A 87 -3.194 -3.188 -10.058 1.00 0.17 C ATOM 1342 C GLY A 87 -1.993 -2.572 -9.340 1.00 0.12 C ATOM 1343 O GLY A 87 -1.575 -3.021 -8.291 1.00 0.17 O ATOM 0 H GLY A 87 -2.611 -5.037 -9.140 1.00 0.14 H new ATOM 0 HA2 GLY A 87 -3.100 -3.027 -11.132 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.107 -2.685 -9.739 1.00 0.17 H new ATOM 1347 N GLU A 88 -1.447 -1.528 -9.910 1.00 0.11 N ATOM 1348 CA GLU A 88 -0.284 -0.840 -9.291 1.00 0.13 C ATOM 1349 C GLU A 88 -0.104 0.524 -9.950 1.00 0.11 C ATOM 1350 O GLU A 88 -0.365 0.691 -11.124 1.00 0.14 O ATOM 1351 CB GLU A 88 0.981 -1.695 -9.475 1.00 0.21 C ATOM 1352 CG GLU A 88 2.240 -0.909 -9.069 1.00 0.58 C ATOM 1353 CD GLU A 88 2.679 0.023 -10.205 1.00 1.13 C ATOM 1354 OE1 GLU A 88 2.133 -0.093 -11.288 1.00 1.87 O ATOM 1355 OE2 GLU A 88 3.557 0.838 -9.969 1.00 1.93 O ATOM 0 H GLU A 88 -1.765 -1.121 -10.790 1.00 0.11 H new ATOM 0 HA GLU A 88 -0.458 -0.703 -8.224 1.00 0.13 H new ATOM 0 HB2 GLU A 88 0.903 -2.601 -8.873 1.00 0.21 H new ATOM 0 HB3 GLU A 88 1.064 -2.010 -10.515 1.00 0.21 H new ATOM 0 HG2 GLU A 88 2.038 -0.327 -8.170 1.00 0.58 H new ATOM 0 HG3 GLU A 88 3.046 -1.601 -8.826 1.00 0.58 H new ATOM 1362 N PHE A 89 0.368 1.495 -9.218 1.00 0.10 N ATOM 1363 CA PHE A 89 0.599 2.838 -9.836 1.00 0.09 C ATOM 1364 C PHE A 89 1.498 3.682 -8.933 1.00 0.10 C ATOM 1365 O PHE A 89 1.623 3.423 -7.753 1.00 0.10 O ATOM 1366 CB PHE A 89 -0.742 3.541 -10.099 1.00 0.11 C ATOM 1367 CG PHE A 89 -1.353 4.091 -8.825 1.00 0.10 C ATOM 1368 CD1 PHE A 89 -0.882 5.292 -8.286 1.00 0.11 C ATOM 1369 CD2 PHE A 89 -2.418 3.419 -8.207 1.00 0.12 C ATOM 1370 CE1 PHE A 89 -1.475 5.826 -7.132 1.00 0.13 C ATOM 1371 CE2 PHE A 89 -3.003 3.947 -7.050 1.00 0.13 C ATOM 1372 CZ PHE A 89 -2.533 5.151 -6.514 1.00 0.14 C ATOM 0 H PHE A 89 0.603 1.422 -8.228 1.00 0.10 H new ATOM 0 HA PHE A 89 1.104 2.709 -10.794 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.592 4.354 -10.810 1.00 0.11 H new ATOM 0 HB3 PHE A 89 -1.436 2.838 -10.560 1.00 0.11 H new ATOM 0 HD1 PHE A 89 -0.060 5.810 -8.759 1.00 0.11 H new ATOM 0 HD2 PHE A 89 -2.787 2.494 -8.624 1.00 0.12 H new ATOM 0 HE1 PHE A 89 -1.115 6.758 -6.721 1.00 0.13 H new ATOM 0 HE2 PHE A 89 -3.818 3.425 -6.571 1.00 0.13 H new ATOM 0 HZ PHE A 89 -2.987 5.559 -5.623 1.00 0.14 H new ATOM 1382 N SER A 90 2.135 4.688 -9.488 1.00 0.10 N ATOM 1383 CA SER A 90 3.044 5.559 -8.678 1.00 0.10 C ATOM 1384 C SER A 90 2.642 7.015 -8.842 1.00 0.09 C ATOM 1385 O SER A 90 1.987 7.391 -9.794 1.00 0.11 O ATOM 1386 CB SER A 90 4.487 5.415 -9.165 1.00 0.11 C ATOM 1387 OG SER A 90 4.563 5.800 -10.530 1.00 0.12 O ATOM 0 H SER A 90 2.063 4.943 -10.473 1.00 0.10 H new ATOM 0 HA SER A 90 2.967 5.254 -7.634 1.00 0.10 H new ATOM 0 HB2 SER A 90 5.150 6.036 -8.563 1.00 0.11 H new ATOM 0 HB3 SER A 90 4.822 4.384 -9.047 1.00 0.11 H new ATOM 0 HG SER A 90 5.487 5.710 -10.844 1.00 0.12 H new ATOM 1393 N GLY A 91 3.054 7.839 -7.918 1.00 0.09 N ATOM 1394 CA GLY A 91 2.735 9.293 -7.989 1.00 0.09 C ATOM 1395 C GLY A 91 2.010 9.711 -6.715 1.00 0.10 C ATOM 1396 O GLY A 91 1.214 8.971 -6.172 1.00 0.12 O ATOM 0 H GLY A 91 3.606 7.562 -7.106 1.00 0.09 H new ATOM 0 HA2 GLY A 91 3.650 9.873 -8.107 1.00 0.09 H new ATOM 0 HA3 GLY A 91 2.113 9.499 -8.860 1.00 0.09 H new ATOM 1400 N ALA A 92 2.277 10.887 -6.230 1.00 0.11 N ATOM 1401 CA ALA A 92 1.598 11.341 -4.987 1.00 0.14 C ATOM 1402 C ALA A 92 0.156 11.756 -5.310 1.00 0.13 C ATOM 1403 O ALA A 92 -0.208 12.909 -5.189 1.00 0.17 O ATOM 1404 CB ALA A 92 2.360 12.540 -4.430 1.00 0.18 C ATOM 0 H ALA A 92 2.934 11.553 -6.638 1.00 0.11 H new ATOM 0 HA ALA A 92 1.580 10.534 -4.255 1.00 0.14 H new ATOM 0 HB1 ALA A 92 1.876 12.887 -3.517 1.00 0.18 H new ATOM 0 HB2 ALA A 92 3.386 12.248 -4.208 1.00 0.18 H new ATOM 0 HB3 ALA A 92 2.363 13.343 -5.167 1.00 0.18 H new ATOM 1410 N ASN A 93 -0.673 10.812 -5.698 1.00 0.12 N ATOM 1411 CA ASN A 93 -2.105 11.125 -6.010 1.00 0.14 C ATOM 1412 C ASN A 93 -2.988 10.308 -5.067 1.00 0.13 C ATOM 1413 O ASN A 93 -3.325 9.173 -5.338 1.00 0.14 O ATOM 1414 CB ASN A 93 -2.399 10.743 -7.464 1.00 0.16 C ATOM 1415 CG ASN A 93 -3.764 11.298 -7.879 1.00 0.20 C ATOM 1416 OD1 ASN A 93 -4.225 11.049 -8.975 1.00 0.88 O ATOM 1417 ND2 ASN A 93 -4.443 12.030 -7.037 1.00 0.75 N ATOM 0 H ASN A 93 -0.415 9.832 -5.812 1.00 0.12 H new ATOM 0 HA ASN A 93 -2.304 12.188 -5.877 1.00 0.14 H new ATOM 0 HB2 ASN A 93 -1.621 11.138 -8.118 1.00 0.16 H new ATOM 0 HB3 ASN A 93 -2.388 9.659 -7.574 1.00 0.16 H new ATOM 0 HD21 ASN A 93 -5.360 12.392 -7.300 1.00 0.75 H new ATOM 0 HD22 ASN A 93 -4.057 12.240 -6.117 1.00 0.75 H new ATOM 1424 N LYS A 94 -3.350 10.876 -3.954 1.00 0.14 N ATOM 1425 CA LYS A 94 -4.194 10.143 -2.969 1.00 0.15 C ATOM 1426 C LYS A 94 -5.608 9.905 -3.518 1.00 0.15 C ATOM 1427 O LYS A 94 -6.238 8.912 -3.214 1.00 0.15 O ATOM 1428 CB LYS A 94 -4.285 10.993 -1.699 1.00 0.18 C ATOM 1429 CG LYS A 94 -4.740 12.439 -2.040 1.00 0.18 C ATOM 1430 CD LYS A 94 -3.625 13.449 -1.738 1.00 0.24 C ATOM 1431 CE LYS A 94 -4.194 14.861 -1.845 1.00 0.59 C ATOM 1432 NZ LYS A 94 -4.567 15.130 -3.260 1.00 1.06 N ATOM 0 H LYS A 94 -3.096 11.825 -3.680 1.00 0.14 H new ATOM 0 HA LYS A 94 -3.744 9.172 -2.763 1.00 0.15 H new ATOM 0 HB2 LYS A 94 -4.989 10.540 -1.001 1.00 0.18 H new ATOM 0 HB3 LYS A 94 -3.315 11.019 -1.202 1.00 0.18 H new ATOM 0 HG2 LYS A 94 -5.015 12.499 -3.093 1.00 0.18 H new ATOM 0 HG3 LYS A 94 -5.630 12.690 -1.463 1.00 0.18 H new ATOM 0 HD2 LYS A 94 -3.223 13.279 -0.739 1.00 0.24 H new ATOM 0 HD3 LYS A 94 -2.800 13.321 -2.439 1.00 0.24 H new ATOM 0 HE2 LYS A 94 -5.067 14.965 -1.200 1.00 0.59 H new ATOM 0 HE3 LYS A 94 -3.458 15.590 -1.505 1.00 0.59 H new ATOM 0 HZ1 LYS A 94 -4.745 16.147 -3.385 1.00 1.06 H new ATOM 0 HZ2 LYS A 94 -3.790 14.836 -3.886 1.00 1.06 H new ATOM 0 HZ3 LYS A 94 -5.426 14.596 -3.500 1.00 1.06 H new ATOM 1446 N GLU A 95 -6.113 10.803 -4.317 1.00 0.15 N ATOM 1447 CA GLU A 95 -7.484 10.627 -4.872 1.00 0.15 C ATOM 1448 C GLU A 95 -7.517 9.393 -5.766 1.00 0.15 C ATOM 1449 O GLU A 95 -8.524 8.730 -5.910 1.00 0.16 O ATOM 1450 CB GLU A 95 -7.832 11.852 -5.711 1.00 0.17 C ATOM 1451 CG GLU A 95 -7.813 13.100 -4.828 1.00 0.19 C ATOM 1452 CD GLU A 95 -8.939 13.020 -3.797 1.00 0.86 C ATOM 1453 OE1 GLU A 95 -9.951 12.410 -4.096 1.00 1.55 O ATOM 1454 OE2 GLU A 95 -8.769 13.575 -2.724 1.00 1.61 O ATOM 0 H GLU A 95 -5.634 11.654 -4.611 1.00 0.15 H new ATOM 0 HA GLU A 95 -8.199 10.508 -4.058 1.00 0.15 H new ATOM 0 HB2 GLU A 95 -7.118 11.961 -6.528 1.00 0.17 H new ATOM 0 HB3 GLU A 95 -8.816 11.728 -6.163 1.00 0.17 H new ATOM 0 HG2 GLU A 95 -6.851 13.185 -4.323 1.00 0.19 H new ATOM 0 HG3 GLU A 95 -7.932 13.993 -5.442 1.00 0.19 H new ATOM 1461 N LYS A 96 -6.415 9.105 -6.383 1.00 0.14 N ATOM 1462 CA LYS A 96 -6.331 7.940 -7.298 1.00 0.15 C ATOM 1463 C LYS A 96 -6.640 6.664 -6.517 1.00 0.14 C ATOM 1464 O LYS A 96 -7.250 5.744 -7.025 1.00 0.15 O ATOM 1465 CB LYS A 96 -4.914 7.904 -7.853 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.798 6.908 -9.008 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.519 7.206 -9.804 1.00 0.25 C ATOM 1468 CE LYS A 96 -3.438 6.265 -11.009 1.00 0.82 C ATOM 1469 NZ LYS A 96 -2.169 6.505 -11.757 1.00 1.45 N ATOM 0 H LYS A 96 -5.550 9.638 -6.291 1.00 0.14 H new ATOM 0 HA LYS A 96 -7.049 8.019 -8.114 1.00 0.15 H new ATOM 0 HB2 LYS A 96 -4.630 8.899 -8.197 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -4.217 7.629 -7.061 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.772 5.888 -8.624 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.670 6.982 -9.657 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.519 8.243 -10.138 1.00 0.25 H new ATOM 0 HD3 LYS A 96 -2.643 7.076 -9.168 1.00 0.25 H new ATOM 0 HE2 LYS A 96 -3.483 5.228 -10.675 1.00 0.82 H new ATOM 0 HE3 LYS A 96 -4.293 6.426 -11.665 1.00 0.82 H new ATOM 0 HZ1 LYS A 96 -2.113 5.851 -12.564 1.00 1.45 H new ATOM 0 HZ2 LYS A 96 -2.150 7.485 -12.104 1.00 1.45 H new ATOM 0 HZ3 LYS A 96 -1.358 6.346 -11.125 1.00 1.45 H new ATOM 1483 N LEU A 97 -6.233 6.610 -5.280 1.00 0.13 N ATOM 1484 CA LEU A 97 -6.515 5.408 -4.452 1.00 0.13 C ATOM 1485 C LEU A 97 -8.024 5.221 -4.367 1.00 0.14 C ATOM 1486 O LEU A 97 -8.536 4.120 -4.378 1.00 0.15 O ATOM 1487 CB LEU A 97 -5.996 5.639 -3.024 1.00 0.13 C ATOM 1488 CG LEU A 97 -4.471 5.524 -2.956 1.00 0.14 C ATOM 1489 CD1 LEU A 97 -3.999 5.984 -1.569 1.00 0.19 C ATOM 1490 CD2 LEU A 97 -4.034 4.062 -3.201 1.00 0.19 C ATOM 0 H LEU A 97 -5.715 7.350 -4.806 1.00 0.13 H new ATOM 0 HA LEU A 97 -6.033 4.538 -4.897 1.00 0.13 H new ATOM 0 HB2 LEU A 97 -6.303 6.626 -2.679 1.00 0.13 H new ATOM 0 HB3 LEU A 97 -6.447 4.911 -2.350 1.00 0.13 H new ATOM 0 HG LEU A 97 -4.024 6.153 -3.726 1.00 0.14 H new ATOM 0 HD11 LEU A 97 -2.913 5.906 -1.510 1.00 0.19 H new ATOM 0 HD12 LEU A 97 -4.298 7.020 -1.408 1.00 0.19 H new ATOM 0 HD13 LEU A 97 -4.450 5.353 -0.803 1.00 0.19 H new ATOM 0 HD21 LEU A 97 -2.947 3.994 -3.150 1.00 0.19 H new ATOM 0 HD22 LEU A 97 -4.474 3.418 -2.440 1.00 0.19 H new ATOM 0 HD23 LEU A 97 -4.372 3.742 -4.187 1.00 0.19 H new ATOM 1502 N GLU A 98 -8.728 6.305 -4.251 1.00 0.14 N ATOM 1503 CA GLU A 98 -10.212 6.227 -4.116 1.00 0.15 C ATOM 1504 C GLU A 98 -10.833 5.575 -5.352 1.00 0.16 C ATOM 1505 O GLU A 98 -11.726 4.756 -5.251 1.00 0.18 O ATOM 1506 CB GLU A 98 -10.771 7.648 -3.954 1.00 0.18 C ATOM 1507 CG GLU A 98 -12.285 7.599 -3.709 1.00 0.21 C ATOM 1508 CD GLU A 98 -12.836 9.024 -3.649 1.00 1.28 C ATOM 1509 OE1 GLU A 98 -12.050 9.948 -3.783 1.00 2.10 O ATOM 1510 OE2 GLU A 98 -14.033 9.169 -3.468 1.00 2.00 O ATOM 0 H GLU A 98 -8.342 7.249 -4.243 1.00 0.14 H new ATOM 0 HA GLU A 98 -10.459 5.621 -3.244 1.00 0.15 H new ATOM 0 HB2 GLU A 98 -10.277 8.148 -3.121 1.00 0.18 H new ATOM 0 HB3 GLU A 98 -10.559 8.234 -4.848 1.00 0.18 H new ATOM 0 HG2 GLU A 98 -12.776 7.041 -4.506 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -12.497 7.076 -2.777 1.00 0.21 H new ATOM 1517 N ALA A 99 -10.389 5.947 -6.515 1.00 0.16 N ATOM 1518 CA ALA A 99 -10.977 5.365 -7.754 1.00 0.17 C ATOM 1519 C ALA A 99 -10.597 3.892 -7.918 1.00 0.16 C ATOM 1520 O ALA A 99 -11.418 3.073 -8.281 1.00 0.17 O ATOM 1521 CB ALA A 99 -10.487 6.160 -8.964 1.00 0.19 C ATOM 0 H ALA A 99 -9.645 6.628 -6.665 1.00 0.16 H new ATOM 0 HA ALA A 99 -12.063 5.424 -7.678 1.00 0.17 H new ATOM 0 HB1 ALA A 99 -10.914 5.738 -9.874 1.00 0.19 H new ATOM 0 HB2 ALA A 99 -10.797 7.200 -8.866 1.00 0.19 H new ATOM 0 HB3 ALA A 99 -9.399 6.109 -9.017 1.00 0.19 H new ATOM 1527 N THR A 100 -9.363 3.544 -7.686 1.00 0.16 N ATOM 1528 CA THR A 100 -8.965 2.124 -7.870 1.00 0.16 C ATOM 1529 C THR A 100 -9.710 1.233 -6.872 1.00 0.15 C ATOM 1530 O THR A 100 -10.159 0.154 -7.208 1.00 0.15 O ATOM 1531 CB THR A 100 -7.459 1.981 -7.658 1.00 0.17 C ATOM 1532 OG1 THR A 100 -6.778 2.922 -8.476 1.00 0.19 O ATOM 1533 CG2 THR A 100 -7.029 0.567 -8.045 1.00 0.20 C ATOM 0 H THR A 100 -8.621 4.174 -7.380 1.00 0.16 H new ATOM 0 HA THR A 100 -9.222 1.814 -8.883 1.00 0.16 H new ATOM 0 HB THR A 100 -7.216 2.164 -6.611 1.00 0.17 H new ATOM 0 HG1 THR A 100 -6.783 3.799 -8.039 1.00 0.19 H new ATOM 0 HG21 THR A 100 -5.955 0.460 -7.896 1.00 0.20 H new ATOM 0 HG22 THR A 100 -7.556 -0.157 -7.423 1.00 0.20 H new ATOM 0 HG23 THR A 100 -7.269 0.388 -9.093 1.00 0.20 H new ATOM 1541 N ILE A 101 -9.869 1.679 -5.658 1.00 0.14 N ATOM 1542 CA ILE A 101 -10.607 0.854 -4.653 1.00 0.13 C ATOM 1543 C ILE A 101 -12.027 0.653 -5.156 1.00 0.14 C ATOM 1544 O ILE A 101 -12.530 -0.446 -5.199 1.00 0.14 O ATOM 1545 CB ILE A 101 -10.641 1.593 -3.307 1.00 0.14 C ATOM 1546 CG1 ILE A 101 -9.232 1.612 -2.690 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -11.610 0.887 -2.351 1.00 0.15 C ATOM 1548 CD1 ILE A 101 -9.136 2.723 -1.637 1.00 0.16 C ATOM 0 H ILE A 101 -9.523 2.575 -5.316 1.00 0.14 H new ATOM 0 HA ILE A 101 -10.113 -0.108 -4.518 1.00 0.13 H new ATOM 0 HB ILE A 101 -10.978 2.617 -3.470 1.00 0.14 H new ATOM 0 HG12 ILE A 101 -9.013 0.647 -2.233 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -8.487 1.773 -3.469 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -11.630 1.415 -1.398 1.00 0.15 H new ATOM 0 HG22 ILE A 101 -12.610 0.882 -2.785 1.00 0.15 H new ATOM 0 HG23 ILE A 101 -11.279 -0.139 -2.190 1.00 0.15 H new ATOM 0 HD11 ILE A 101 -8.135 2.729 -1.205 1.00 0.16 H new ATOM 0 HD12 ILE A 101 -9.335 3.687 -2.106 1.00 0.16 H new ATOM 0 HD13 ILE A 101 -9.869 2.543 -0.851 1.00 0.16 H new ATOM 1560 N ASN A 102 -12.666 1.714 -5.558 1.00 0.17 N ATOM 1561 CA ASN A 102 -14.054 1.596 -6.075 1.00 0.20 C ATOM 1562 C ASN A 102 -14.036 0.688 -7.295 1.00 0.19 C ATOM 1563 O ASN A 102 -14.969 -0.038 -7.563 1.00 0.20 O ATOM 1564 CB ASN A 102 -14.570 2.973 -6.493 1.00 0.25 C ATOM 1565 CG ASN A 102 -16.024 2.854 -6.941 1.00 0.31 C ATOM 1566 OD1 ASN A 102 -16.319 2.201 -7.923 1.00 0.95 O ATOM 1567 ND2 ASN A 102 -16.953 3.471 -6.267 1.00 0.55 N ATOM 0 H ASN A 102 -12.285 2.660 -5.550 1.00 0.17 H new ATOM 0 HA ASN A 102 -14.702 1.188 -5.300 1.00 0.20 H new ATOM 0 HB2 ASN A 102 -14.490 3.672 -5.660 1.00 0.25 H new ATOM 0 HB3 ASN A 102 -13.960 3.372 -7.303 1.00 0.25 H new ATOM 0 HD21 ASN A 102 -17.927 3.406 -6.564 1.00 0.55 H new ATOM 0 HD22 ASN A 102 -16.706 4.019 -5.443 1.00 0.55 H new ATOM 1574 N GLU A 103 -12.987 0.753 -8.055 1.00 0.18 N ATOM 1575 CA GLU A 103 -12.901 -0.075 -9.282 1.00 0.18 C ATOM 1576 C GLU A 103 -12.786 -1.563 -8.931 1.00 0.16 C ATOM 1577 O GLU A 103 -13.357 -2.411 -9.589 1.00 0.18 O ATOM 1578 CB GLU A 103 -11.646 0.341 -10.052 1.00 0.19 C ATOM 1579 CG GLU A 103 -11.677 -0.280 -11.452 1.00 0.21 C ATOM 1580 CD GLU A 103 -12.756 0.403 -12.296 1.00 1.34 C ATOM 1581 OE1 GLU A 103 -13.223 1.455 -11.890 1.00 2.04 O ATOM 1582 OE2 GLU A 103 -13.101 -0.141 -13.331 1.00 2.21 O ATOM 0 H GLU A 103 -12.178 1.349 -7.878 1.00 0.18 H new ATOM 0 HA GLU A 103 -13.802 0.076 -9.877 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.595 1.427 -10.125 1.00 0.19 H new ATOM 0 HB3 GLU A 103 -10.754 0.015 -9.518 1.00 0.19 H new ATOM 0 HG2 GLU A 103 -10.704 -0.170 -11.931 1.00 0.21 H new ATOM 0 HG3 GLU A 103 -11.879 -1.349 -11.382 1.00 0.21 H new ATOM 1589 N LEU A 104 -12.030 -1.891 -7.917 1.00 0.14 N ATOM 1590 CA LEU A 104 -11.844 -3.330 -7.543 1.00 0.14 C ATOM 1591 C LEU A 104 -12.742 -3.715 -6.354 1.00 0.13 C ATOM 1592 O LEU A 104 -12.717 -4.844 -5.899 1.00 0.15 O ATOM 1593 CB LEU A 104 -10.375 -3.551 -7.162 1.00 0.14 C ATOM 1594 CG LEU A 104 -9.459 -3.202 -8.347 1.00 0.16 C ATOM 1595 CD1 LEU A 104 -7.999 -3.326 -7.905 1.00 0.17 C ATOM 1596 CD2 LEU A 104 -9.719 -4.158 -9.526 1.00 0.25 C ATOM 0 H LEU A 104 -11.531 -1.225 -7.328 1.00 0.14 H new ATOM 0 HA LEU A 104 -12.120 -3.954 -8.393 1.00 0.14 H new ATOM 0 HB2 LEU A 104 -10.119 -2.934 -6.301 1.00 0.14 H new ATOM 0 HB3 LEU A 104 -10.221 -4.589 -6.867 1.00 0.14 H new ATOM 0 HG LEU A 104 -9.667 -2.182 -8.670 1.00 0.16 H new ATOM 0 HD11 LEU A 104 -7.344 -3.080 -8.741 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -7.809 -2.639 -7.080 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -7.803 -4.347 -7.579 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -9.063 -3.898 -10.357 1.00 0.25 H new ATOM 0 HD22 LEU A 104 -9.520 -5.183 -9.214 1.00 0.25 H new ATOM 0 HD23 LEU A 104 -10.758 -4.070 -9.843 1.00 0.25 H new ATOM 1608 N VAL A 105 -13.524 -2.803 -5.835 1.00 0.14 N ATOM 1609 CA VAL A 105 -14.397 -3.155 -4.670 1.00 0.15 C ATOM 1610 C VAL A 105 -15.454 -4.175 -5.113 1.00 0.16 C ATOM 1611 O VAL A 105 -15.894 -4.088 -6.247 1.00 1.08 O ATOM 1612 CB VAL A 105 -15.094 -1.893 -4.125 1.00 0.17 C ATOM 1613 CG1 VAL A 105 -16.197 -1.431 -5.089 1.00 0.21 C ATOM 1614 CG2 VAL A 105 -15.712 -2.197 -2.757 1.00 0.19 C ATOM 1615 OXT VAL A 105 -15.799 -5.027 -4.310 1.00 1.08 O ATOM 0 H VAL A 105 -13.597 -1.840 -6.162 1.00 0.14 H new ATOM 0 HA VAL A 105 -13.780 -3.585 -3.881 1.00 0.15 H new ATOM 0 HB VAL A 105 -14.353 -1.100 -4.028 1.00 0.17 H new ATOM 0 HG11 VAL A 105 -16.679 -0.539 -4.689 1.00 0.21 H new ATOM 0 HG12 VAL A 105 -15.759 -1.202 -6.060 1.00 0.21 H new ATOM 0 HG13 VAL A 105 -16.937 -2.224 -5.202 1.00 0.21 H new ATOM 0 HG21 VAL A 105 -16.204 -1.303 -2.373 1.00 0.19 H new ATOM 0 HG22 VAL A 105 -16.443 -2.999 -2.858 1.00 0.19 H new ATOM 0 HG23 VAL A 105 -14.929 -2.505 -2.064 1.00 0.19 H new ATOM 1683 N LYS B 63 7.009 15.050 -5.848 1.00 0.19 N ATOM 1684 CA LYS B 63 5.856 14.112 -5.900 1.00 0.14 C ATOM 1685 C LYS B 63 6.379 12.671 -5.875 1.00 0.12 C ATOM 1686 O LYS B 63 5.633 11.742 -5.638 1.00 0.12 O ATOM 1687 CB LYS B 63 5.077 14.347 -7.201 1.00 0.17 C ATOM 1688 CG LYS B 63 4.609 15.811 -7.290 1.00 0.20 C ATOM 1689 CD LYS B 63 3.750 16.182 -6.074 1.00 0.40 C ATOM 1690 CE LYS B 63 2.913 17.426 -6.389 1.00 0.35 C ATOM 1691 NZ LYS B 63 2.003 17.714 -5.243 1.00 1.31 N ATOM 0 HA LYS B 63 5.202 14.280 -5.044 1.00 0.14 H new ATOM 0 HB2 LYS B 63 5.707 14.107 -8.058 1.00 0.17 H new ATOM 0 HB3 LYS B 63 4.216 13.680 -7.242 1.00 0.17 H new ATOM 0 HG2 LYS B 63 5.474 16.472 -7.345 1.00 0.20 H new ATOM 0 HG3 LYS B 63 4.036 15.960 -8.205 1.00 0.20 H new ATOM 0 HD2 LYS B 63 3.097 15.350 -5.811 1.00 0.40 H new ATOM 0 HD3 LYS B 63 4.388 16.371 -5.211 1.00 0.40 H new ATOM 0 HE2 LYS B 63 3.565 18.280 -6.573 1.00 0.35 H new ATOM 0 HE3 LYS B 63 2.332 17.267 -7.298 1.00 0.35 H new ATOM 0 HZ1 LYS B 63 1.434 18.558 -5.455 1.00 1.31 H new ATOM 0 HZ2 LYS B 63 1.373 16.902 -5.088 1.00 1.31 H new ATOM 0 HZ3 LYS B 63 2.567 17.883 -4.386 1.00 1.31 H new ATOM 1705 N ILE B 64 7.654 12.488 -6.148 1.00 0.11 N ATOM 1706 CA ILE B 64 8.271 11.111 -6.159 1.00 0.11 C ATOM 1707 C ILE B 64 9.631 11.152 -5.427 1.00 0.10 C ATOM 1708 O ILE B 64 10.379 12.098 -5.571 1.00 0.11 O ATOM 1709 CB ILE B 64 8.509 10.686 -7.619 1.00 0.12 C ATOM 1710 CG1 ILE B 64 7.170 10.458 -8.340 1.00 0.15 C ATOM 1711 CG2 ILE B 64 9.341 9.401 -7.682 1.00 0.13 C ATOM 1712 CD1 ILE B 64 6.338 9.366 -7.645 1.00 0.15 C ATOM 0 H ILE B 64 8.304 13.243 -6.367 1.00 0.11 H new ATOM 0 HA ILE B 64 7.605 10.406 -5.662 1.00 0.11 H new ATOM 0 HB ILE B 64 9.054 11.489 -8.115 1.00 0.12 H new ATOM 0 HG12 ILE B 64 6.604 11.389 -8.363 1.00 0.15 H new ATOM 0 HG13 ILE B 64 7.356 10.172 -9.375 1.00 0.15 H new ATOM 0 HG21 ILE B 64 9.497 9.119 -8.723 1.00 0.13 H new ATOM 0 HG22 ILE B 64 10.306 9.568 -7.203 1.00 0.13 H new ATOM 0 HG23 ILE B 64 8.813 8.600 -7.165 1.00 0.13 H new ATOM 0 HD11 ILE B 64 5.398 9.229 -8.179 1.00 0.15 H new ATOM 0 HD12 ILE B 64 6.895 8.429 -7.645 1.00 0.15 H new ATOM 0 HD13 ILE B 64 6.131 9.665 -6.617 1.00 0.15 H new ATOM 1724 N CYS B 65 9.980 10.121 -4.676 1.00 0.09 N ATOM 1725 CA CYS B 65 11.320 10.101 -3.990 1.00 0.10 C ATOM 1726 C CYS B 65 12.247 9.188 -4.810 1.00 0.10 C ATOM 1727 O CYS B 65 11.898 8.067 -5.123 1.00 0.11 O ATOM 1728 CB CYS B 65 11.213 9.548 -2.551 1.00 0.10 C ATOM 1729 SG CYS B 65 9.788 10.262 -1.681 1.00 0.19 S ATOM 0 H CYS B 65 9.398 9.300 -4.511 1.00 0.09 H new ATOM 0 HA CYS B 65 11.707 11.118 -3.928 1.00 0.10 H new ATOM 0 HB2 CYS B 65 11.118 8.463 -2.581 1.00 0.10 H new ATOM 0 HB3 CYS B 65 12.128 9.773 -2.003 1.00 0.10 H new ATOM 1734 N SER B 66 13.407 9.662 -5.192 1.00 0.12 N ATOM 1735 CA SER B 66 14.320 8.812 -6.026 1.00 0.14 C ATOM 1736 C SER B 66 15.069 7.778 -5.169 1.00 0.14 C ATOM 1737 O SER B 66 15.542 8.063 -4.087 1.00 0.15 O ATOM 1738 CB SER B 66 15.353 9.704 -6.718 1.00 0.18 C ATOM 1739 OG SER B 66 14.688 10.621 -7.575 1.00 0.20 O ATOM 0 H SER B 66 13.761 10.592 -4.966 1.00 0.12 H new ATOM 0 HA SER B 66 13.707 8.284 -6.757 1.00 0.14 H new ATOM 0 HB2 SER B 66 15.939 10.244 -5.975 1.00 0.18 H new ATOM 0 HB3 SER B 66 16.050 9.094 -7.292 1.00 0.18 H new ATOM 0 HG SER B 66 15.349 11.194 -8.017 1.00 0.20 H new ATOM 1745 N TRP B 67 15.209 6.583 -5.684 1.00 0.15 N ATOM 1746 CA TRP B 67 15.952 5.514 -4.955 1.00 0.16 C ATOM 1747 C TRP B 67 17.439 5.827 -5.003 1.00 0.19 C ATOM 1748 O TRP B 67 18.243 5.206 -4.339 1.00 0.21 O ATOM 1749 CB TRP B 67 15.665 4.148 -5.583 1.00 0.16 C ATOM 1750 CG TRP B 67 14.251 3.789 -5.271 1.00 0.14 C ATOM 1751 CD1 TRP B 67 13.178 4.517 -5.637 1.00 0.13 C ATOM 1752 CD2 TRP B 67 13.740 2.654 -4.516 1.00 0.14 C ATOM 1753 NE1 TRP B 67 12.041 3.906 -5.154 1.00 0.13 N ATOM 1754 CE2 TRP B 67 12.337 2.757 -4.454 1.00 0.13 C ATOM 1755 CE3 TRP B 67 14.348 1.557 -3.884 1.00 0.16 C ATOM 1756 CZ2 TRP B 67 11.569 1.813 -3.786 1.00 0.14 C ATOM 1757 CZ3 TRP B 67 13.574 0.601 -3.215 1.00 0.17 C ATOM 1758 CH2 TRP B 67 12.186 0.733 -3.163 1.00 0.16 C ATOM 0 H TRP B 67 14.835 6.300 -6.590 1.00 0.15 H new ATOM 0 HA TRP B 67 15.625 5.481 -3.916 1.00 0.16 H new ATOM 0 HB2 TRP B 67 15.821 4.183 -6.661 1.00 0.16 H new ATOM 0 HB3 TRP B 67 16.346 3.395 -5.187 1.00 0.16 H new ATOM 0 HD1 TRP B 67 13.205 5.429 -6.214 1.00 0.13 H new ATOM 0 HE1 TRP B 67 11.096 4.261 -5.297 1.00 0.13 H new ATOM 0 HE3 TRP B 67 15.422 1.450 -3.914 1.00 0.16 H new ATOM 0 HZ2 TRP B 67 10.495 1.917 -3.750 1.00 0.14 H new ATOM 0 HZ3 TRP B 67 14.053 -0.241 -2.738 1.00 0.17 H new ATOM 0 HH2 TRP B 67 11.592 -0.002 -2.640 1.00 0.16 H new ATOM 1769 N ASN B 68 17.807 6.806 -5.777 1.00 0.23 N ATOM 1770 CA ASN B 68 19.240 7.192 -5.876 1.00 0.27 C ATOM 1771 C ASN B 68 19.805 7.362 -4.460 1.00 0.26 C ATOM 1772 O ASN B 68 20.998 7.502 -4.272 1.00 0.30 O ATOM 1773 CB ASN B 68 19.359 8.516 -6.637 1.00 0.34 C ATOM 1774 CG ASN B 68 19.011 8.302 -8.115 1.00 0.40 C ATOM 1775 OD1 ASN B 68 19.166 9.198 -8.921 1.00 0.49 O ATOM 1776 ND2 ASN B 68 18.543 7.148 -8.507 1.00 0.40 N ATOM 0 H ASN B 68 17.171 7.360 -6.350 1.00 0.23 H new ATOM 0 HA ASN B 68 19.798 6.421 -6.407 1.00 0.27 H new ATOM 0 HB2 ASN B 68 18.690 9.258 -6.201 1.00 0.34 H new ATOM 0 HB3 ASN B 68 20.372 8.908 -6.546 1.00 0.34 H new ATOM 0 HD21 ASN B 68 18.308 7.000 -9.488 1.00 0.40 H new ATOM 0 HD22 ASN B 68 18.412 6.395 -7.832 1.00 0.40 H new