USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=18 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 Single : A 3 LYS NZ :NH3+ 156:sc= -0.164 (180deg=-0.804) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 7 SER OG : rot 180:sc= 0.00983 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.18) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 39:sc= -0.334 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -160:sc= 0.35 (180deg=0.175) USER MOD Single : A 43 HIS : no HD1:sc= -0.212 X(o=-0.21,f=-0.0094) USER MOD Single : A 44 SER OG : rot 66:sc= 0.833 USER MOD Single : A 46 SER OG : rot 95:sc= 0.0968 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot -117:sc= 0.707 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.201 X(o=-0.2,f=-0.2) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot -42:sc= 0.306 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.672 USER MOD Single : A 76 THR OG1 : rot 97:sc= 0.542 USER MOD Single : A 78 GLN : amide:sc= -1.46 X(o=-1.5,f=-1.7!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 158:sc= -0.0915 (180deg=-0.476) USER MOD Single : A 84 GLN : amide:sc= -3.25! K(o=-3.2!,f=-0.44) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -3.66! K(o=-3.7!,f=-1.8) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 161:sc= -0.0683 (180deg=-0.679) USER MOD Single : A 100 THR OG1 : rot 79:sc= 0.104 USER MOD Single : A 102 ASN : amide:sc= -0.7 K(o=-0.7,f=-2.5!) 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= -1.98! K(o=-2!,f=-0.061) USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 3 -2.552 -2.463 8.889 1.00 0.20 N ATOM 37 CA LYS A 3 -1.560 -3.531 9.199 1.00 0.18 C ATOM 38 C LYS A 3 -0.200 -3.112 8.645 1.00 0.15 C ATOM 39 O LYS A 3 -0.064 -2.809 7.474 1.00 0.16 O ATOM 40 CB LYS A 3 -2.026 -4.827 8.517 1.00 0.19 C ATOM 41 CG LYS A 3 -1.117 -6.009 8.893 1.00 0.20 C ATOM 42 CD LYS A 3 -1.551 -6.615 10.241 1.00 0.81 C ATOM 43 CE LYS A 3 -2.679 -7.639 10.036 1.00 1.03 C ATOM 44 NZ LYS A 3 -2.179 -8.796 9.236 1.00 1.67 N ATOM 0 HA LYS A 3 -1.477 -3.688 10.274 1.00 0.18 H new ATOM 0 HB2 LYS A 3 -3.053 -5.047 8.810 1.00 0.19 H new ATOM 0 HB3 LYS A 3 -2.025 -4.693 7.435 1.00 0.19 H new ATOM 0 HG2 LYS A 3 -1.160 -6.771 8.114 1.00 0.20 H new ATOM 0 HG3 LYS A 3 -0.082 -5.674 8.955 1.00 0.20 H new ATOM 0 HD2 LYS A 3 -0.699 -7.096 10.721 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -1.888 -5.823 10.910 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -3.046 -7.986 11.002 1.00 1.03 H new ATOM 0 HE3 LYS A 3 -3.519 -7.169 9.525 1.00 1.03 H new ATOM 0 HZ1 LYS A 3 -2.764 -9.633 9.434 1.00 1.67 H new ATOM 0 HZ2 LYS A 3 -2.233 -8.567 8.223 1.00 1.67 H new ATOM 0 HZ3 LYS A 3 -1.191 -8.995 9.493 1.00 1.67 H new ATOM 58 N GLN A 4 0.811 -3.103 9.473 1.00 0.15 N ATOM 59 CA GLN A 4 2.171 -2.716 8.999 1.00 0.14 C ATOM 60 C GLN A 4 2.966 -3.985 8.711 1.00 0.12 C ATOM 61 O GLN A 4 3.127 -4.836 9.563 1.00 0.13 O ATOM 62 CB GLN A 4 2.880 -1.895 10.080 1.00 0.16 C ATOM 63 CG GLN A 4 4.279 -1.499 9.590 1.00 0.17 C ATOM 64 CD GLN A 4 5.007 -0.717 10.682 1.00 0.22 C ATOM 65 OE1 GLN A 4 4.686 -0.830 11.849 1.00 0.29 O ATOM 66 NE2 GLN A 4 5.992 0.071 10.346 1.00 0.31 N ATOM 0 H GLN A 4 0.752 -3.348 10.461 1.00 0.15 H new ATOM 0 HA GLN A 4 2.093 -2.114 8.094 1.00 0.14 H new ATOM 0 HB2 GLN A 4 2.299 -1.003 10.313 1.00 0.16 H new ATOM 0 HB3 GLN A 4 2.956 -2.475 11.000 1.00 0.16 H new ATOM 0 HG2 GLN A 4 4.848 -2.391 9.327 1.00 0.17 H new ATOM 0 HG3 GLN A 4 4.200 -0.893 8.687 1.00 0.17 H new ATOM 0 HE21 GLN A 4 6.259 0.164 9.366 1.00 0.31 H new ATOM 0 HE22 GLN A 4 6.494 0.594 11.063 1.00 0.31 H new ATOM 75 N ILE A 5 3.469 -4.113 7.516 1.00 0.10 N ATOM 76 CA ILE A 5 4.259 -5.321 7.157 1.00 0.10 C ATOM 77 C ILE A 5 5.746 -4.975 7.209 1.00 0.10 C ATOM 78 O ILE A 5 6.240 -4.205 6.409 1.00 0.11 O ATOM 79 CB ILE A 5 3.885 -5.729 5.737 1.00 0.11 C ATOM 80 CG1 ILE A 5 2.357 -5.800 5.614 1.00 0.13 C ATOM 81 CG2 ILE A 5 4.498 -7.088 5.416 1.00 0.15 C ATOM 82 CD1 ILE A 5 1.774 -6.699 6.709 1.00 0.19 C ATOM 0 H ILE A 5 3.366 -3.427 6.768 1.00 0.10 H new ATOM 0 HA ILE A 5 4.051 -6.136 7.851 1.00 0.10 H new ATOM 0 HB ILE A 5 4.268 -4.992 5.031 1.00 0.11 H new ATOM 0 HG12 ILE A 5 1.933 -4.799 5.692 1.00 0.13 H new ATOM 0 HG13 ILE A 5 2.082 -6.187 4.633 1.00 0.13 H new ATOM 0 HG21 ILE A 5 4.229 -7.378 4.400 1.00 0.15 H new ATOM 0 HG22 ILE A 5 5.583 -7.027 5.501 1.00 0.15 H new ATOM 0 HG23 ILE A 5 4.121 -7.832 6.117 1.00 0.15 H new ATOM 0 HD11 ILE A 5 0.689 -6.739 6.608 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.185 -7.704 6.612 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.033 -6.295 7.688 1.00 0.19 H new ATOM 94 N GLU A 6 6.468 -5.540 8.138 1.00 0.11 N ATOM 95 CA GLU A 6 7.921 -5.245 8.241 1.00 0.13 C ATOM 96 C GLU A 6 8.714 -6.323 7.499 1.00 0.12 C ATOM 97 O GLU A 6 9.927 -6.272 7.433 1.00 0.13 O ATOM 98 CB GLU A 6 8.317 -5.235 9.719 1.00 0.15 C ATOM 99 CG GLU A 6 7.519 -4.155 10.463 1.00 0.17 C ATOM 100 CD GLU A 6 6.117 -4.665 10.808 1.00 1.45 C ATOM 101 OE1 GLU A 6 5.827 -5.809 10.504 1.00 2.25 O ATOM 102 OE2 GLU A 6 5.355 -3.897 11.376 1.00 2.25 O ATOM 0 H GLU A 6 6.110 -6.196 8.832 1.00 0.11 H new ATOM 0 HA GLU A 6 8.138 -4.274 7.795 1.00 0.13 H new ATOM 0 HB2 GLU A 6 8.126 -6.212 10.163 1.00 0.15 H new ATOM 0 HB3 GLU A 6 9.386 -5.044 9.818 1.00 0.15 H new ATOM 0 HG2 GLU A 6 8.044 -3.871 11.375 1.00 0.17 H new ATOM 0 HG3 GLU A 6 7.445 -3.260 9.846 1.00 0.17 H new ATOM 109 N SER A 7 8.049 -7.291 6.920 1.00 0.12 N ATOM 110 CA SER A 7 8.798 -8.352 6.173 1.00 0.13 C ATOM 111 C SER A 7 7.912 -9.014 5.118 1.00 0.12 C ATOM 112 O SER A 7 6.700 -9.004 5.202 1.00 0.12 O ATOM 113 CB SER A 7 9.261 -9.427 7.153 1.00 0.15 C ATOM 114 OG SER A 7 8.125 -10.003 7.787 1.00 0.15 O ATOM 0 H SER A 7 7.034 -7.394 6.930 1.00 0.12 H new ATOM 0 HA SER A 7 9.649 -7.882 5.680 1.00 0.13 H new ATOM 0 HB2 SER A 7 9.828 -10.196 6.627 1.00 0.15 H new ATOM 0 HB3 SER A 7 9.928 -8.994 7.899 1.00 0.15 H new ATOM 0 HG SER A 7 8.417 -10.695 8.416 1.00 0.15 H new ATOM 120 N LYS A 8 8.528 -9.631 4.149 1.00 0.14 N ATOM 121 CA LYS A 8 7.766 -10.349 3.092 1.00 0.15 C ATOM 122 C LYS A 8 7.040 -11.520 3.742 1.00 0.15 C ATOM 123 O LYS A 8 5.974 -11.926 3.323 1.00 0.16 O ATOM 124 CB LYS A 8 8.743 -10.876 2.045 1.00 0.18 C ATOM 125 CG LYS A 8 7.977 -11.360 0.814 1.00 0.21 C ATOM 126 CD LYS A 8 8.950 -11.920 -0.236 1.00 0.43 C ATOM 127 CE LYS A 8 9.772 -13.085 0.335 1.00 0.80 C ATOM 128 NZ LYS A 8 10.251 -13.938 -0.789 1.00 1.65 N ATOM 0 H LYS A 8 9.542 -9.668 4.044 1.00 0.14 H new ATOM 0 HA LYS A 8 7.050 -9.680 2.614 1.00 0.15 H new ATOM 0 HB2 LYS A 8 9.444 -10.091 1.762 1.00 0.18 H new ATOM 0 HB3 LYS A 8 9.331 -11.693 2.463 1.00 0.18 H new ATOM 0 HG2 LYS A 8 7.261 -12.129 1.103 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.405 -10.536 0.387 1.00 0.21 H new ATOM 0 HD2 LYS A 8 8.392 -12.259 -1.109 1.00 0.43 H new ATOM 0 HD3 LYS A 8 9.620 -11.129 -0.573 1.00 0.43 H new ATOM 0 HE2 LYS A 8 10.619 -12.704 0.906 1.00 0.80 H new ATOM 0 HE3 LYS A 8 9.164 -13.674 1.022 1.00 0.80 H new ATOM 0 HZ1 LYS A 8 10.809 -14.730 -0.411 1.00 1.65 H new ATOM 0 HZ2 LYS A 8 9.435 -14.310 -1.315 1.00 1.65 H new ATOM 0 HZ3 LYS A 8 10.844 -13.370 -1.427 1.00 1.65 H new ATOM 142 N THR A 9 7.624 -12.080 4.763 1.00 0.15 N ATOM 143 CA THR A 9 6.981 -13.239 5.427 1.00 0.17 C ATOM 144 C THR A 9 5.595 -12.830 5.910 1.00 0.16 C ATOM 145 O THR A 9 4.611 -13.494 5.649 1.00 0.17 O ATOM 146 CB THR A 9 7.838 -13.680 6.615 1.00 0.19 C ATOM 147 OG1 THR A 9 9.152 -13.973 6.162 1.00 0.22 O ATOM 148 CG2 THR A 9 7.230 -14.926 7.258 1.00 0.23 C ATOM 0 H THR A 9 8.515 -11.785 5.163 1.00 0.15 H new ATOM 0 HA THR A 9 6.889 -14.068 4.725 1.00 0.17 H new ATOM 0 HB THR A 9 7.874 -12.878 7.353 1.00 0.19 H new ATOM 0 HG1 THR A 9 9.705 -14.254 6.921 1.00 0.22 H new ATOM 0 HG21 THR A 9 7.844 -15.236 8.103 1.00 0.23 H new ATOM 0 HG22 THR A 9 6.222 -14.701 7.605 1.00 0.23 H new ATOM 0 HG23 THR A 9 7.190 -15.731 6.524 1.00 0.23 H new ATOM 156 N ALA A 10 5.505 -11.730 6.593 1.00 0.15 N ATOM 157 CA ALA A 10 4.183 -11.252 7.073 1.00 0.15 C ATOM 158 C ALA A 10 3.342 -10.823 5.872 1.00 0.14 C ATOM 159 O ALA A 10 2.134 -10.919 5.881 1.00 0.15 O ATOM 160 CB ALA A 10 4.393 -10.074 8.024 1.00 0.17 C ATOM 0 H ALA A 10 6.296 -11.136 6.842 1.00 0.15 H new ATOM 0 HA ALA A 10 3.663 -12.049 7.605 1.00 0.15 H new ATOM 0 HB1 ALA A 10 3.427 -9.718 8.381 1.00 0.17 H new ATOM 0 HB2 ALA A 10 4.997 -10.395 8.873 1.00 0.17 H new ATOM 0 HB3 ALA A 10 4.905 -9.268 7.498 1.00 0.17 H new ATOM 166 N PHE A 11 3.974 -10.354 4.826 1.00 0.14 N ATOM 167 CA PHE A 11 3.202 -9.923 3.624 1.00 0.13 C ATOM 168 C PHE A 11 2.389 -11.104 3.117 1.00 0.14 C ATOM 169 O PHE A 11 1.231 -10.980 2.776 1.00 0.14 O ATOM 170 CB PHE A 11 4.191 -9.497 2.525 1.00 0.14 C ATOM 171 CG PHE A 11 3.458 -8.839 1.374 1.00 0.14 C ATOM 172 CD1 PHE A 11 2.825 -7.604 1.557 1.00 0.14 C ATOM 173 CD2 PHE A 11 3.429 -9.458 0.114 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.161 -6.995 0.488 1.00 0.14 C ATOM 175 CE2 PHE A 11 2.766 -8.847 -0.954 1.00 0.14 C ATOM 176 CZ PHE A 11 2.131 -7.615 -0.767 1.00 0.14 C ATOM 0 H PHE A 11 4.986 -10.252 4.753 1.00 0.14 H new ATOM 0 HA PHE A 11 2.543 -9.093 3.879 1.00 0.13 H new ATOM 0 HB2 PHE A 11 4.926 -8.806 2.938 1.00 0.14 H new ATOM 0 HB3 PHE A 11 4.739 -10.367 2.164 1.00 0.14 H new ATOM 0 HD1 PHE A 11 2.850 -7.122 2.523 1.00 0.14 H new ATOM 0 HD2 PHE A 11 3.920 -10.409 -0.030 1.00 0.14 H new ATOM 0 HE1 PHE A 11 1.670 -6.044 0.631 1.00 0.14 H new ATOM 0 HE2 PHE A 11 2.744 -9.325 -1.922 1.00 0.14 H new ATOM 0 HZ PHE A 11 1.617 -7.142 -1.591 1.00 0.14 H new ATOM 186 N GLN A 12 2.995 -12.249 3.074 1.00 0.14 N ATOM 187 CA GLN A 12 2.274 -13.454 2.593 1.00 0.16 C ATOM 188 C GLN A 12 1.128 -13.769 3.562 1.00 0.15 C ATOM 189 O GLN A 12 0.017 -14.059 3.161 1.00 0.16 O ATOM 190 CB GLN A 12 3.264 -14.621 2.580 1.00 0.18 C ATOM 191 CG GLN A 12 4.383 -14.335 1.573 1.00 0.17 C ATOM 192 CD GLN A 12 3.802 -14.242 0.162 1.00 0.40 C ATOM 193 OE1 GLN A 12 3.231 -15.189 -0.342 1.00 1.12 O ATOM 194 NE2 GLN A 12 3.925 -13.124 -0.501 1.00 1.31 N ATOM 0 H GLN A 12 3.964 -12.405 3.352 1.00 0.14 H new ATOM 0 HA GLN A 12 1.868 -13.290 1.595 1.00 0.16 H new ATOM 0 HB2 GLN A 12 3.685 -14.765 3.575 1.00 0.18 H new ATOM 0 HB3 GLN A 12 2.749 -15.545 2.315 1.00 0.18 H new ATOM 0 HG2 GLN A 12 4.886 -13.403 1.831 1.00 0.17 H new ATOM 0 HG3 GLN A 12 5.133 -15.125 1.616 1.00 0.17 H new ATOM 0 HE21 GLN A 12 4.404 -12.330 -0.077 1.00 1.31 H new ATOM 0 HE22 GLN A 12 3.542 -13.045 -1.443 1.00 1.31 H new ATOM 203 N GLU A 13 1.399 -13.697 4.838 1.00 0.16 N ATOM 204 CA GLU A 13 0.349 -13.974 5.864 1.00 0.17 C ATOM 205 C GLU A 13 -0.758 -12.927 5.776 1.00 0.15 C ATOM 206 O GLU A 13 -1.923 -13.220 5.970 1.00 0.16 O ATOM 207 CB GLU A 13 1.003 -13.929 7.253 1.00 0.19 C ATOM 208 CG GLU A 13 2.017 -15.072 7.381 1.00 0.28 C ATOM 209 CD GLU A 13 1.291 -16.419 7.325 1.00 0.95 C ATOM 210 OE1 GLU A 13 0.203 -16.507 7.871 1.00 1.77 O ATOM 211 OE2 GLU A 13 1.836 -17.338 6.737 1.00 1.67 O ATOM 0 H GLU A 13 2.314 -13.455 5.218 1.00 0.16 H new ATOM 0 HA GLU A 13 -0.091 -14.956 5.690 1.00 0.17 H new ATOM 0 HB2 GLU A 13 1.500 -12.970 7.401 1.00 0.19 H new ATOM 0 HB3 GLU A 13 0.241 -14.017 8.028 1.00 0.19 H new ATOM 0 HG2 GLU A 13 2.751 -15.011 6.578 1.00 0.28 H new ATOM 0 HG3 GLU A 13 2.564 -14.982 8.320 1.00 0.28 H new ATOM 218 N ALA A 14 -0.410 -11.709 5.490 1.00 0.15 N ATOM 219 CA ALA A 14 -1.445 -10.649 5.397 1.00 0.14 C ATOM 220 C ALA A 14 -2.329 -10.916 4.181 1.00 0.13 C ATOM 221 O ALA A 14 -3.535 -10.785 4.235 1.00 0.13 O ATOM 222 CB ALA A 14 -0.769 -9.283 5.265 1.00 0.15 C ATOM 0 H ALA A 14 0.547 -11.401 5.316 1.00 0.15 H new ATOM 0 HA ALA A 14 -2.060 -10.653 6.297 1.00 0.14 H new ATOM 0 HB1 ALA A 14 -1.530 -8.506 5.197 1.00 0.15 H new ATOM 0 HB2 ALA A 14 -0.142 -9.101 6.138 1.00 0.15 H new ATOM 0 HB3 ALA A 14 -0.153 -9.267 4.366 1.00 0.15 H new ATOM 228 N LEU A 15 -1.739 -11.292 3.080 1.00 0.12 N ATOM 229 CA LEU A 15 -2.549 -11.564 1.866 1.00 0.12 C ATOM 230 C LEU A 15 -3.517 -12.704 2.160 1.00 0.13 C ATOM 231 O LEU A 15 -4.668 -12.680 1.774 1.00 0.13 O ATOM 232 CB LEU A 15 -1.617 -11.978 0.729 1.00 0.13 C ATOM 233 CG LEU A 15 -0.780 -10.772 0.277 1.00 0.13 C ATOM 234 CD1 LEU A 15 0.372 -11.250 -0.620 1.00 0.17 C ATOM 235 CD2 LEU A 15 -1.654 -9.762 -0.494 1.00 0.17 C ATOM 0 H LEU A 15 -0.733 -11.422 2.971 1.00 0.12 H new ATOM 0 HA LEU A 15 -3.105 -10.671 1.582 1.00 0.12 H new ATOM 0 HB2 LEU A 15 -0.962 -12.784 1.059 1.00 0.13 H new ATOM 0 HB3 LEU A 15 -2.199 -12.363 -0.109 1.00 0.13 H new ATOM 0 HG LEU A 15 -0.375 -10.278 1.160 1.00 0.13 H new ATOM 0 HD11 LEU A 15 0.964 -10.393 -0.939 1.00 0.17 H new ATOM 0 HD12 LEU A 15 1.005 -11.941 -0.063 1.00 0.17 H new ATOM 0 HD13 LEU A 15 -0.035 -11.756 -1.495 1.00 0.17 H new ATOM 0 HD21 LEU A 15 -1.043 -8.915 -0.805 1.00 0.17 H new ATOM 0 HD22 LEU A 15 -2.079 -10.246 -1.373 1.00 0.17 H new ATOM 0 HD23 LEU A 15 -2.459 -9.410 0.151 1.00 0.17 H new ATOM 247 N ASP A 16 -3.051 -13.700 2.850 1.00 0.13 N ATOM 248 CA ASP A 16 -3.924 -14.851 3.188 1.00 0.15 C ATOM 249 C ASP A 16 -5.008 -14.428 4.185 1.00 0.15 C ATOM 250 O ASP A 16 -6.114 -14.931 4.163 1.00 0.16 O ATOM 251 CB ASP A 16 -3.082 -15.978 3.782 1.00 0.17 C ATOM 252 CG ASP A 16 -3.939 -17.240 3.897 1.00 0.19 C ATOM 253 OD1 ASP A 16 -5.043 -17.135 4.410 1.00 1.07 O ATOM 254 OD2 ASP A 16 -3.481 -18.286 3.473 1.00 1.07 O ATOM 0 H ASP A 16 -2.094 -13.767 3.198 1.00 0.13 H new ATOM 0 HA ASP A 16 -4.409 -15.203 2.277 1.00 0.15 H new ATOM 0 HB2 ASP A 16 -2.214 -16.170 3.152 1.00 0.17 H new ATOM 0 HB3 ASP A 16 -2.706 -15.689 4.763 1.00 0.17 H new ATOM 259 N ALA A 17 -4.686 -13.540 5.084 1.00 0.15 N ATOM 260 CA ALA A 17 -5.687 -13.112 6.105 1.00 0.16 C ATOM 261 C ALA A 17 -6.812 -12.311 5.441 1.00 0.15 C ATOM 262 O ALA A 17 -7.972 -12.456 5.772 1.00 0.17 O ATOM 263 CB ALA A 17 -4.985 -12.263 7.169 1.00 0.18 C ATOM 0 H ALA A 17 -3.773 -13.091 5.157 1.00 0.15 H new ATOM 0 HA ALA A 17 -6.126 -13.992 6.575 1.00 0.16 H new ATOM 0 HB1 ALA A 17 -5.710 -11.946 7.919 1.00 0.18 H new ATOM 0 HB2 ALA A 17 -4.203 -12.853 7.647 1.00 0.18 H new ATOM 0 HB3 ALA A 17 -4.542 -11.385 6.700 1.00 0.18 H new ATOM 269 N ALA A 18 -6.475 -11.478 4.501 1.00 0.14 N ATOM 270 CA ALA A 18 -7.508 -10.668 3.798 1.00 0.15 C ATOM 271 C ALA A 18 -8.498 -11.594 3.092 1.00 0.14 C ATOM 272 O ALA A 18 -9.673 -11.304 2.988 1.00 0.17 O ATOM 273 CB ALA A 18 -6.816 -9.794 2.760 1.00 0.15 C ATOM 0 H ALA A 18 -5.518 -11.321 4.185 1.00 0.14 H new ATOM 0 HA ALA A 18 -8.045 -10.050 4.518 1.00 0.15 H new ATOM 0 HB1 ALA A 18 -7.560 -9.194 2.236 1.00 0.15 H new ATOM 0 HB2 ALA A 18 -6.103 -9.136 3.256 1.00 0.15 H new ATOM 0 HB3 ALA A 18 -6.290 -10.426 2.045 1.00 0.15 H new ATOM 279 N GLY A 19 -8.032 -12.703 2.596 1.00 0.16 N ATOM 280 CA GLY A 19 -8.948 -13.640 1.892 1.00 0.20 C ATOM 281 C GLY A 19 -9.431 -13.004 0.587 1.00 0.16 C ATOM 282 O GLY A 19 -8.643 -12.613 -0.254 1.00 0.17 O ATOM 0 H GLY A 19 -7.058 -13.002 2.647 1.00 0.16 H new ATOM 0 HA2 GLY A 19 -8.434 -14.578 1.682 1.00 0.20 H new ATOM 0 HA3 GLY A 19 -9.800 -13.879 2.529 1.00 0.20 H new ATOM 286 N ASP A 20 -10.723 -12.907 0.397 1.00 0.15 N ATOM 287 CA ASP A 20 -11.257 -12.316 -0.870 1.00 0.14 C ATOM 288 C ASP A 20 -11.457 -10.806 -0.715 1.00 0.12 C ATOM 289 O ASP A 20 -11.862 -10.129 -1.640 1.00 0.13 O ATOM 290 CB ASP A 20 -12.596 -12.969 -1.206 1.00 0.15 C ATOM 291 CG ASP A 20 -12.403 -14.480 -1.348 1.00 0.18 C ATOM 292 OD1 ASP A 20 -11.474 -14.879 -2.030 1.00 1.07 O ATOM 293 OD2 ASP A 20 -13.182 -15.213 -0.763 1.00 1.07 O ATOM 0 H ASP A 20 -11.432 -13.211 1.064 1.00 0.15 H new ATOM 0 HA ASP A 20 -10.541 -12.496 -1.671 1.00 0.14 H new ATOM 0 HB2 ASP A 20 -13.324 -12.756 -0.423 1.00 0.15 H new ATOM 0 HB3 ASP A 20 -12.994 -12.553 -2.132 1.00 0.15 H new ATOM 298 N LYS A 21 -11.184 -10.268 0.439 1.00 0.12 N ATOM 299 CA LYS A 21 -11.368 -8.804 0.635 1.00 0.12 C ATOM 300 C LYS A 21 -10.225 -8.063 -0.071 1.00 0.10 C ATOM 301 O LYS A 21 -9.131 -8.578 -0.192 1.00 0.11 O ATOM 302 CB LYS A 21 -11.336 -8.491 2.135 1.00 0.15 C ATOM 303 CG LYS A 21 -12.515 -9.185 2.829 1.00 0.21 C ATOM 304 CD LYS A 21 -12.530 -8.837 4.329 1.00 0.31 C ATOM 305 CE LYS A 21 -13.035 -7.401 4.546 1.00 0.80 C ATOM 306 NZ LYS A 21 -13.416 -7.214 5.978 1.00 1.50 N ATOM 0 H LYS A 21 -10.842 -10.777 1.254 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.324 -8.485 0.219 1.00 0.12 H new ATOM 0 HB2 LYS A 21 -10.395 -8.830 2.568 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -11.390 -7.414 2.294 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -13.452 -8.874 2.367 1.00 0.21 H new ATOM 0 HG3 LYS A 21 -12.438 -10.265 2.700 1.00 0.21 H new ATOM 0 HD2 LYS A 21 -13.170 -9.538 4.864 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -11.527 -8.942 4.742 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -12.260 -6.687 4.269 1.00 0.80 H new ATOM 0 HE3 LYS A 21 -13.893 -7.205 3.903 1.00 0.80 H new ATOM 0 HZ1 LYS A 21 -13.757 -6.242 6.122 1.00 1.50 H new ATOM 0 HZ2 LYS A 21 -14.169 -7.886 6.227 1.00 1.50 H new ATOM 0 HZ3 LYS A 21 -12.587 -7.383 6.583 1.00 1.50 H new ATOM 320 N LEU A 22 -10.464 -6.867 -0.542 1.00 0.11 N ATOM 321 CA LEU A 22 -9.379 -6.116 -1.243 1.00 0.12 C ATOM 322 C LEU A 22 -8.175 -5.925 -0.319 1.00 0.12 C ATOM 323 O LEU A 22 -8.280 -5.991 0.890 1.00 0.14 O ATOM 324 CB LEU A 22 -9.898 -4.724 -1.677 1.00 0.15 C ATOM 325 CG LEU A 22 -10.444 -4.754 -3.102 1.00 0.29 C ATOM 326 CD1 LEU A 22 -11.014 -3.368 -3.415 1.00 0.31 C ATOM 327 CD2 LEU A 22 -9.304 -5.095 -4.099 1.00 0.47 C ATOM 0 H LEU A 22 -11.357 -6.380 -0.473 1.00 0.11 H new ATOM 0 HA LEU A 22 -9.076 -6.692 -2.118 1.00 0.12 H new ATOM 0 HB2 LEU A 22 -10.680 -4.396 -0.993 1.00 0.15 H new ATOM 0 HB3 LEU A 22 -9.090 -3.995 -1.610 1.00 0.15 H new ATOM 0 HG LEU A 22 -11.220 -5.514 -3.196 1.00 0.29 H new ATOM 0 HD11 LEU A 22 -11.412 -3.359 -4.430 1.00 0.31 H new ATOM 0 HD12 LEU A 22 -11.812 -3.135 -2.710 1.00 0.31 H new ATOM 0 HD13 LEU A 22 -10.224 -2.622 -3.329 1.00 0.31 H new ATOM 0 HD21 LEU A 22 -9.702 -5.115 -5.114 1.00 0.47 H new ATOM 0 HD22 LEU A 22 -8.522 -4.339 -4.030 1.00 0.47 H new ATOM 0 HD23 LEU A 22 -8.887 -6.072 -3.854 1.00 0.47 H new ATOM 339 N VAL A 23 -7.035 -5.658 -0.905 1.00 0.11 N ATOM 340 CA VAL A 23 -5.804 -5.419 -0.111 1.00 0.11 C ATOM 341 C VAL A 23 -4.941 -4.420 -0.871 1.00 0.11 C ATOM 342 O VAL A 23 -4.413 -4.723 -1.924 1.00 0.17 O ATOM 343 CB VAL A 23 -5.013 -6.716 0.064 1.00 0.11 C ATOM 344 CG1 VAL A 23 -3.752 -6.431 0.886 1.00 0.16 C ATOM 345 CG2 VAL A 23 -5.873 -7.750 0.789 1.00 0.12 C ATOM 0 H VAL A 23 -6.909 -5.596 -1.915 1.00 0.11 H new ATOM 0 HA VAL A 23 -6.077 -5.040 0.874 1.00 0.11 H new ATOM 0 HB VAL A 23 -4.733 -7.106 -0.914 1.00 0.11 H new ATOM 0 HG11 VAL A 23 -3.185 -7.353 1.013 1.00 0.16 H new ATOM 0 HG12 VAL A 23 -3.138 -5.696 0.367 1.00 0.16 H new ATOM 0 HG13 VAL A 23 -4.035 -6.041 1.864 1.00 0.16 H new ATOM 0 HG21 VAL A 23 -5.306 -8.673 0.912 1.00 0.12 H new ATOM 0 HG22 VAL A 23 -6.156 -7.365 1.769 1.00 0.12 H new ATOM 0 HG23 VAL A 23 -6.771 -7.951 0.204 1.00 0.12 H new ATOM 355 N VAL A 24 -4.789 -3.230 -0.352 1.00 0.09 N ATOM 356 CA VAL A 24 -3.948 -2.203 -1.045 1.00 0.09 C ATOM 357 C VAL A 24 -2.617 -2.118 -0.296 1.00 0.09 C ATOM 358 O VAL A 24 -2.576 -2.282 0.907 1.00 0.10 O ATOM 359 CB VAL A 24 -4.663 -0.848 -1.022 1.00 0.11 C ATOM 360 CG1 VAL A 24 -3.822 0.196 -1.768 1.00 0.12 C ATOM 361 CG2 VAL A 24 -6.026 -0.977 -1.708 1.00 0.14 C ATOM 0 H VAL A 24 -5.211 -2.922 0.524 1.00 0.09 H new ATOM 0 HA VAL A 24 -3.778 -2.476 -2.086 1.00 0.09 H new ATOM 0 HB VAL A 24 -4.799 -0.534 0.013 1.00 0.11 H new ATOM 0 HG11 VAL A 24 -4.335 1.158 -1.749 1.00 0.12 H new ATOM 0 HG12 VAL A 24 -2.850 0.293 -1.284 1.00 0.12 H new ATOM 0 HG13 VAL A 24 -3.683 -0.120 -2.802 1.00 0.12 H new ATOM 0 HG21 VAL A 24 -6.534 -0.013 -1.691 1.00 0.14 H new ATOM 0 HG22 VAL A 24 -5.885 -1.295 -2.741 1.00 0.14 H new ATOM 0 HG23 VAL A 24 -6.630 -1.715 -1.181 1.00 0.14 H new ATOM 371 N VAL A 25 -1.522 -1.906 -0.992 1.00 0.09 N ATOM 372 CA VAL A 25 -0.188 -1.859 -0.306 1.00 0.09 C ATOM 373 C VAL A 25 0.536 -0.553 -0.630 1.00 0.10 C ATOM 374 O VAL A 25 0.795 -0.245 -1.774 1.00 0.11 O ATOM 375 CB VAL A 25 0.649 -3.041 -0.799 1.00 0.09 C ATOM 376 CG1 VAL A 25 1.949 -3.129 -0.002 1.00 0.13 C ATOM 377 CG2 VAL A 25 -0.146 -4.337 -0.614 1.00 0.10 C ATOM 0 H VAL A 25 -1.494 -1.764 -2.002 1.00 0.09 H new ATOM 0 HA VAL A 25 -0.332 -1.914 0.773 1.00 0.09 H new ATOM 0 HB VAL A 25 0.884 -2.898 -1.854 1.00 0.09 H new ATOM 0 HG11 VAL A 25 2.539 -3.973 -0.360 1.00 0.13 H new ATOM 0 HG12 VAL A 25 2.518 -2.208 -0.131 1.00 0.13 H new ATOM 0 HG13 VAL A 25 1.719 -3.268 1.054 1.00 0.13 H new ATOM 0 HG21 VAL A 25 0.448 -5.181 -0.964 1.00 0.10 H new ATOM 0 HG22 VAL A 25 -0.381 -4.472 0.442 1.00 0.10 H new ATOM 0 HG23 VAL A 25 -1.071 -4.281 -1.187 1.00 0.10 H new ATOM 387 N ASP A 26 0.881 0.212 0.378 1.00 0.11 N ATOM 388 CA ASP A 26 1.604 1.504 0.139 1.00 0.12 C ATOM 389 C ASP A 26 3.113 1.314 0.382 1.00 0.14 C ATOM 390 O ASP A 26 3.538 1.020 1.481 1.00 0.20 O ATOM 391 CB ASP A 26 1.075 2.560 1.111 1.00 0.14 C ATOM 392 CG ASP A 26 1.611 3.937 0.718 1.00 0.16 C ATOM 393 OD1 ASP A 26 2.090 4.069 -0.397 1.00 1.05 O ATOM 394 OD2 ASP A 26 1.526 4.839 1.534 1.00 1.04 O ATOM 0 H ASP A 26 0.693 -0.002 1.358 1.00 0.11 H new ATOM 0 HA ASP A 26 1.440 1.822 -0.891 1.00 0.12 H new ATOM 0 HB2 ASP A 26 -0.015 2.566 1.098 1.00 0.14 H new ATOM 0 HB3 ASP A 26 1.381 2.317 2.129 1.00 0.14 H new ATOM 399 N PHE A 27 3.920 1.497 -0.629 1.00 0.13 N ATOM 400 CA PHE A 27 5.405 1.348 -0.470 1.00 0.13 C ATOM 401 C PHE A 27 6.043 2.706 -0.180 1.00 0.22 C ATOM 402 O PHE A 27 7.193 2.935 -0.496 1.00 0.73 O ATOM 403 CB PHE A 27 6.010 0.778 -1.757 1.00 0.11 C ATOM 404 CG PHE A 27 5.677 -0.690 -1.887 1.00 0.10 C ATOM 405 CD1 PHE A 27 6.441 -1.642 -1.196 1.00 0.11 C ATOM 406 CD2 PHE A 27 4.623 -1.103 -2.709 1.00 0.12 C ATOM 407 CE1 PHE A 27 6.145 -3.004 -1.327 1.00 0.14 C ATOM 408 CE2 PHE A 27 4.328 -2.465 -2.835 1.00 0.14 C ATOM 409 CZ PHE A 27 5.089 -3.415 -2.145 1.00 0.14 C ATOM 0 H PHE A 27 3.615 1.746 -1.570 1.00 0.13 H new ATOM 0 HA PHE A 27 5.600 0.671 0.362 1.00 0.13 H new ATOM 0 HB2 PHE A 27 5.626 1.323 -2.620 1.00 0.11 H new ATOM 0 HB3 PHE A 27 7.092 0.913 -1.750 1.00 0.11 H new ATOM 0 HD1 PHE A 27 7.257 -1.325 -0.563 1.00 0.11 H new ATOM 0 HD2 PHE A 27 4.038 -0.371 -3.246 1.00 0.12 H new ATOM 0 HE1 PHE A 27 6.733 -3.738 -0.796 1.00 0.14 H new ATOM 0 HE2 PHE A 27 3.511 -2.784 -3.466 1.00 0.14 H new ATOM 0 HZ PHE A 27 4.860 -4.466 -2.245 1.00 0.14 H new ATOM 419 N SER A 28 5.314 3.620 0.394 1.00 0.30 N ATOM 420 CA SER A 28 5.908 4.960 0.660 1.00 0.24 C ATOM 421 C SER A 28 7.116 4.826 1.582 1.00 0.24 C ATOM 422 O SER A 28 7.142 4.007 2.478 1.00 0.28 O ATOM 423 CB SER A 28 4.874 5.861 1.335 1.00 0.27 C ATOM 424 OG SER A 28 3.744 6.006 0.483 1.00 0.29 O ATOM 0 H SER A 28 4.344 3.501 0.688 1.00 0.30 H new ATOM 0 HA SER A 28 6.218 5.396 -0.290 1.00 0.24 H new ATOM 0 HB2 SER A 28 4.570 5.432 2.290 1.00 0.27 H new ATOM 0 HB3 SER A 28 5.310 6.837 1.548 1.00 0.27 H new ATOM 0 HG SER A 28 3.558 5.153 0.039 1.00 0.29 H new ATOM 430 N ALA A 29 8.114 5.643 1.374 1.00 0.20 N ATOM 431 CA ALA A 29 9.321 5.584 2.242 1.00 0.21 C ATOM 432 C ALA A 29 9.058 6.422 3.493 1.00 0.22 C ATOM 433 O ALA A 29 8.710 7.583 3.409 1.00 0.22 O ATOM 434 CB ALA A 29 10.531 6.146 1.475 1.00 0.19 C ATOM 0 H ALA A 29 8.143 6.349 0.639 1.00 0.20 H new ATOM 0 HA ALA A 29 9.534 4.554 2.527 1.00 0.21 H new ATOM 0 HB1 ALA A 29 11.416 6.103 2.110 1.00 0.19 H new ATOM 0 HB2 ALA A 29 10.700 5.552 0.577 1.00 0.19 H new ATOM 0 HB3 ALA A 29 10.335 7.181 1.195 1.00 0.19 H new ATOM 440 N THR A 30 9.216 5.848 4.654 1.00 0.23 N ATOM 441 CA THR A 30 8.960 6.629 5.890 1.00 0.24 C ATOM 442 C THR A 30 9.996 7.750 5.986 1.00 0.22 C ATOM 443 O THR A 30 9.717 8.826 6.476 1.00 0.22 O ATOM 444 CB THR A 30 9.061 5.712 7.118 1.00 0.28 C ATOM 445 OG1 THR A 30 8.874 6.478 8.301 1.00 0.30 O ATOM 446 CG2 THR A 30 10.433 5.028 7.160 1.00 0.29 C ATOM 0 H THR A 30 9.508 4.881 4.797 1.00 0.23 H new ATOM 0 HA THR A 30 7.958 7.056 5.858 1.00 0.24 H new ATOM 0 HB THR A 30 8.288 4.947 7.051 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.937 5.892 9.084 1.00 0.30 H new ATOM 0 HG21 THR A 30 10.490 4.381 8.035 1.00 0.29 H new ATOM 0 HG22 THR A 30 10.570 4.431 6.258 1.00 0.29 H new ATOM 0 HG23 THR A 30 11.215 5.785 7.216 1.00 0.29 H new ATOM 454 N TRP A 31 11.185 7.514 5.508 1.00 0.22 N ATOM 455 CA TRP A 31 12.223 8.584 5.568 1.00 0.21 C ATOM 456 C TRP A 31 11.918 9.703 4.566 1.00 0.19 C ATOM 457 O TRP A 31 12.373 10.818 4.721 1.00 0.22 O ATOM 458 CB TRP A 31 13.587 7.996 5.252 1.00 0.23 C ATOM 459 CG TRP A 31 13.610 7.473 3.853 1.00 0.22 C ATOM 460 CD1 TRP A 31 13.459 6.177 3.520 1.00 0.26 C ATOM 461 CD2 TRP A 31 13.790 8.199 2.603 1.00 0.21 C ATOM 462 NE1 TRP A 31 13.581 6.048 2.150 1.00 0.25 N ATOM 463 CE2 TRP A 31 13.775 7.265 1.539 1.00 0.21 C ATOM 464 CE3 TRP A 31 13.974 9.557 2.286 1.00 0.21 C ATOM 465 CZ2 TRP A 31 13.938 7.661 0.216 1.00 0.21 C ATOM 466 CZ3 TRP A 31 14.134 9.960 0.950 1.00 0.23 C ATOM 467 CH2 TRP A 31 14.118 9.012 -0.083 1.00 0.21 C ATOM 0 H TRP A 31 11.483 6.636 5.082 1.00 0.22 H new ATOM 0 HA TRP A 31 12.219 9.002 6.575 1.00 0.21 H new ATOM 0 HB2 TRP A 31 14.357 8.757 5.376 1.00 0.23 H new ATOM 0 HB3 TRP A 31 13.816 7.193 5.952 1.00 0.23 H new ATOM 0 HD1 TRP A 31 13.273 5.369 4.212 1.00 0.26 H new ATOM 0 HE1 TRP A 31 13.533 5.159 1.652 1.00 0.25 H new ATOM 0 HE3 TRP A 31 13.992 10.294 3.075 1.00 0.21 H new ATOM 0 HZ2 TRP A 31 13.925 6.927 -0.576 1.00 0.21 H new ATOM 0 HZ3 TRP A 31 14.270 11.006 0.717 1.00 0.23 H new ATOM 0 HH2 TRP A 31 14.245 9.327 -1.108 1.00 0.21 H new ATOM 478 N CYS A 32 11.166 9.424 3.530 1.00 0.18 N ATOM 479 CA CYS A 32 10.866 10.493 2.534 1.00 0.17 C ATOM 480 C CYS A 32 9.725 11.360 3.072 1.00 0.17 C ATOM 481 O CYS A 32 8.660 10.881 3.407 1.00 0.20 O ATOM 482 CB CYS A 32 10.471 9.854 1.192 1.00 0.18 C ATOM 483 SG CYS A 32 10.431 11.133 -0.100 1.00 0.26 S ATOM 0 H CYS A 32 10.752 8.513 3.334 1.00 0.18 H new ATOM 0 HA CYS A 32 11.747 11.115 2.373 1.00 0.17 H new ATOM 0 HB2 CYS A 32 11.184 9.074 0.925 1.00 0.18 H new ATOM 0 HB3 CYS A 32 9.494 9.378 1.277 1.00 0.18 H new ATOM 488 N GLY A 33 9.967 12.641 3.184 1.00 0.20 N ATOM 489 CA GLY A 33 8.938 13.572 3.734 1.00 0.23 C ATOM 490 C GLY A 33 7.668 13.606 2.872 1.00 0.21 C ATOM 491 O GLY A 33 6.591 13.365 3.375 1.00 0.22 O ATOM 0 H GLY A 33 10.844 13.086 2.914 1.00 0.20 H new ATOM 0 HA2 GLY A 33 8.679 13.267 4.748 1.00 0.23 H new ATOM 0 HA3 GLY A 33 9.357 14.576 3.801 1.00 0.23 H new ATOM 495 N PRO A 34 7.760 13.914 1.598 1.00 0.21 N ATOM 496 CA PRO A 34 6.535 13.957 0.754 1.00 0.22 C ATOM 497 C PRO A 34 5.805 12.610 0.706 1.00 0.22 C ATOM 498 O PRO A 34 4.606 12.563 0.552 1.00 0.24 O ATOM 499 CB PRO A 34 7.083 14.375 -0.624 1.00 0.29 C ATOM 500 CG PRO A 34 8.620 14.304 -0.570 1.00 0.31 C ATOM 501 CD PRO A 34 9.045 14.243 0.910 1.00 0.24 C ATOM 0 HA PRO A 34 5.779 14.641 1.140 1.00 0.22 H new ATOM 0 HB2 PRO A 34 6.699 13.716 -1.402 1.00 0.29 H new ATOM 0 HB3 PRO A 34 6.757 15.385 -0.873 1.00 0.29 H new ATOM 0 HG2 PRO A 34 8.979 13.425 -1.106 1.00 0.31 H new ATOM 0 HG3 PRO A 34 9.059 15.175 -1.056 1.00 0.31 H new ATOM 0 HD2 PRO A 34 9.805 13.482 1.083 1.00 0.24 H new ATOM 0 HD3 PRO A 34 9.459 15.191 1.253 1.00 0.24 H new ATOM 509 N ALA A 35 6.505 11.519 0.836 1.00 0.21 N ATOM 510 CA ALA A 35 5.815 10.197 0.792 1.00 0.23 C ATOM 511 C ALA A 35 5.110 9.930 2.130 1.00 0.23 C ATOM 512 O ALA A 35 3.923 9.673 2.175 1.00 0.22 O ATOM 513 CB ALA A 35 6.843 9.095 0.510 1.00 0.24 C ATOM 0 H ALA A 35 7.516 11.483 0.970 1.00 0.21 H new ATOM 0 HA ALA A 35 5.068 10.204 -0.002 1.00 0.23 H new ATOM 0 HB1 ALA A 35 6.340 8.128 0.478 1.00 0.24 H new ATOM 0 HB2 ALA A 35 7.326 9.285 -0.448 1.00 0.24 H new ATOM 0 HB3 ALA A 35 7.594 9.087 1.300 1.00 0.24 H new ATOM 519 N LYS A 36 5.828 9.988 3.217 1.00 0.25 N ATOM 520 CA LYS A 36 5.192 9.743 4.545 1.00 0.27 C ATOM 521 C LYS A 36 4.089 10.777 4.780 1.00 0.26 C ATOM 522 O LYS A 36 3.044 10.479 5.321 1.00 0.27 O ATOM 523 CB LYS A 36 6.236 9.865 5.654 1.00 0.33 C ATOM 524 CG LYS A 36 5.623 9.411 6.985 1.00 0.37 C ATOM 525 CD LYS A 36 6.618 9.651 8.135 1.00 0.44 C ATOM 526 CE LYS A 36 6.701 11.146 8.482 1.00 0.89 C ATOM 527 NZ LYS A 36 7.318 11.303 9.831 1.00 1.59 N ATOM 0 H LYS A 36 6.827 10.194 3.245 1.00 0.25 H new ATOM 0 HA LYS A 36 4.768 8.739 4.556 1.00 0.27 H new ATOM 0 HB2 LYS A 36 7.108 9.256 5.416 1.00 0.33 H new ATOM 0 HB3 LYS A 36 6.580 10.896 5.733 1.00 0.33 H new ATOM 0 HG2 LYS A 36 4.699 9.957 7.174 1.00 0.37 H new ATOM 0 HG3 LYS A 36 5.364 8.354 6.933 1.00 0.37 H new ATOM 0 HD2 LYS A 36 6.308 9.086 9.014 1.00 0.44 H new ATOM 0 HD3 LYS A 36 7.604 9.284 7.851 1.00 0.44 H new ATOM 0 HE2 LYS A 36 7.294 11.673 7.734 1.00 0.89 H new ATOM 0 HE3 LYS A 36 5.706 11.590 8.470 1.00 0.89 H new ATOM 0 HZ1 LYS A 36 7.376 12.313 10.071 1.00 1.59 H new ATOM 0 HZ2 LYS A 36 6.735 10.813 10.539 1.00 1.59 H new ATOM 0 HZ3 LYS A 36 8.274 10.893 9.826 1.00 1.59 H new ATOM 541 N MET A 37 4.333 11.997 4.387 1.00 0.28 N ATOM 542 CA MET A 37 3.330 13.081 4.596 1.00 0.30 C ATOM 543 C MET A 37 2.029 12.730 3.879 1.00 0.25 C ATOM 544 O MET A 37 0.967 13.141 4.287 1.00 0.25 O ATOM 545 CB MET A 37 3.890 14.402 4.054 1.00 0.38 C ATOM 546 CG MET A 37 2.986 15.574 4.464 1.00 0.44 C ATOM 547 SD MET A 37 1.510 15.610 3.416 1.00 1.54 S ATOM 548 CE MET A 37 0.784 17.119 4.101 1.00 2.10 C ATOM 0 H MET A 37 5.193 12.293 3.925 1.00 0.28 H new ATOM 0 HA MET A 37 3.125 13.187 5.661 1.00 0.30 H new ATOM 0 HB2 MET A 37 4.898 14.561 4.436 1.00 0.38 H new ATOM 0 HB3 MET A 37 3.965 14.354 2.968 1.00 0.38 H new ATOM 0 HG2 MET A 37 2.697 15.473 5.510 1.00 0.44 H new ATOM 0 HG3 MET A 37 3.530 16.514 4.373 1.00 0.44 H new ATOM 0 HE1 MET A 37 -0.154 17.335 3.591 1.00 2.10 H new ATOM 0 HE2 MET A 37 0.595 16.981 5.165 1.00 2.10 H new ATOM 0 HE3 MET A 37 1.474 17.951 3.960 1.00 2.10 H new ATOM 558 N ILE A 38 2.111 11.986 2.816 1.00 0.23 N ATOM 559 CA ILE A 38 0.885 11.597 2.055 1.00 0.25 C ATOM 560 C ILE A 38 0.186 10.416 2.734 1.00 0.26 C ATOM 561 O ILE A 38 -0.844 9.963 2.283 1.00 0.31 O ATOM 562 CB ILE A 38 1.277 11.204 0.624 1.00 0.33 C ATOM 563 CG1 ILE A 38 1.756 12.454 -0.120 1.00 0.34 C ATOM 564 CG2 ILE A 38 0.070 10.590 -0.111 1.00 0.35 C ATOM 565 CD1 ILE A 38 2.566 12.049 -1.349 1.00 0.49 C ATOM 0 H ILE A 38 2.984 11.624 2.433 1.00 0.23 H new ATOM 0 HA ILE A 38 0.200 12.445 2.033 1.00 0.25 H new ATOM 0 HB ILE A 38 2.076 10.463 0.658 1.00 0.33 H new ATOM 0 HG12 ILE A 38 0.901 13.059 -0.421 1.00 0.34 H new ATOM 0 HG13 ILE A 38 2.365 13.070 0.541 1.00 0.34 H new ATOM 0 HG21 ILE A 38 0.362 10.316 -1.125 1.00 0.35 H new ATOM 0 HG22 ILE A 38 -0.267 9.701 0.422 1.00 0.35 H new ATOM 0 HG23 ILE A 38 -0.740 11.318 -0.151 1.00 0.35 H new ATOM 0 HD11 ILE A 38 2.903 12.943 -1.873 1.00 0.49 H new ATOM 0 HD12 ILE A 38 3.431 11.463 -1.038 1.00 0.49 H new ATOM 0 HD13 ILE A 38 1.943 11.452 -2.015 1.00 0.49 H new ATOM 577 N LYS A 39 0.745 9.874 3.781 1.00 0.27 N ATOM 578 CA LYS A 39 0.094 8.691 4.410 1.00 0.34 C ATOM 579 C LYS A 39 -1.295 9.011 5.030 1.00 0.30 C ATOM 580 O LYS A 39 -2.085 8.103 5.166 1.00 0.33 O ATOM 581 CB LYS A 39 0.995 8.007 5.474 1.00 0.46 C ATOM 582 CG LYS A 39 0.968 8.743 6.835 1.00 0.50 C ATOM 583 CD LYS A 39 1.865 8.047 7.880 1.00 0.65 C ATOM 584 CE LYS A 39 1.650 6.527 7.893 1.00 0.80 C ATOM 585 NZ LYS A 39 2.190 5.963 9.165 1.00 0.75 N ATOM 0 H LYS A 39 1.608 10.192 4.222 1.00 0.27 H new ATOM 0 HA LYS A 39 -0.060 7.994 3.586 1.00 0.34 H new ATOM 0 HB2 LYS A 39 0.667 6.977 5.615 1.00 0.46 H new ATOM 0 HB3 LYS A 39 2.020 7.968 5.106 1.00 0.46 H new ATOM 0 HG2 LYS A 39 1.300 9.772 6.698 1.00 0.50 H new ATOM 0 HG3 LYS A 39 -0.056 8.785 7.205 1.00 0.50 H new ATOM 0 HD2 LYS A 39 2.911 8.264 7.664 1.00 0.65 H new ATOM 0 HD3 LYS A 39 1.653 8.453 8.869 1.00 0.65 H new ATOM 0 HE2 LYS A 39 0.588 6.298 7.802 1.00 0.80 H new ATOM 0 HE3 LYS A 39 2.149 6.070 7.038 1.00 0.80 H new ATOM 0 HZ1 LYS A 39 2.361 4.944 9.048 1.00 0.75 H new ATOM 0 HZ2 LYS A 39 3.083 6.439 9.404 1.00 0.75 H new ATOM 0 HZ3 LYS A 39 1.502 6.113 9.931 1.00 0.75 H new ATOM 599 N PRO A 40 -1.617 10.224 5.483 1.00 0.26 N ATOM 600 CA PRO A 40 -2.942 10.433 6.143 1.00 0.25 C ATOM 601 C PRO A 40 -4.119 10.015 5.260 1.00 0.20 C ATOM 602 O PRO A 40 -5.071 9.455 5.736 1.00 0.21 O ATOM 603 CB PRO A 40 -2.937 11.947 6.407 1.00 0.26 C ATOM 604 CG PRO A 40 -1.480 12.396 6.358 1.00 0.28 C ATOM 605 CD PRO A 40 -0.782 11.459 5.366 1.00 0.27 C ATOM 0 HA PRO A 40 -3.069 9.827 7.040 1.00 0.25 H new ATOM 0 HB2 PRO A 40 -3.529 12.472 5.658 1.00 0.26 H new ATOM 0 HB3 PRO A 40 -3.379 12.172 7.378 1.00 0.26 H new ATOM 0 HG2 PRO A 40 -1.402 13.434 6.035 1.00 0.28 H new ATOM 0 HG3 PRO A 40 -1.019 12.334 7.344 1.00 0.28 H new ATOM 0 HD2 PRO A 40 -0.783 11.860 4.353 1.00 0.27 H new ATOM 0 HD3 PRO A 40 0.258 11.278 5.636 1.00 0.27 H new ATOM 613 N PHE A 41 -4.071 10.275 3.983 1.00 0.16 N ATOM 614 CA PHE A 41 -5.217 9.861 3.123 1.00 0.13 C ATOM 615 C PHE A 41 -5.239 8.340 3.031 1.00 0.13 C ATOM 616 O PHE A 41 -6.257 7.699 3.185 1.00 0.15 O ATOM 617 CB PHE A 41 -5.027 10.417 1.717 1.00 0.14 C ATOM 618 CG PHE A 41 -5.206 11.910 1.723 1.00 0.18 C ATOM 619 CD1 PHE A 41 -4.206 12.729 2.255 1.00 0.25 C ATOM 620 CD2 PHE A 41 -6.374 12.473 1.197 1.00 0.22 C ATOM 621 CE1 PHE A 41 -4.374 14.118 2.258 1.00 0.34 C ATOM 622 CE2 PHE A 41 -6.542 13.859 1.201 1.00 0.31 C ATOM 623 CZ PHE A 41 -5.543 14.684 1.733 1.00 0.37 C ATOM 0 H PHE A 41 -3.304 10.747 3.504 1.00 0.16 H new ATOM 0 HA PHE A 41 -6.146 10.237 3.553 1.00 0.13 H new ATOM 0 HB2 PHE A 41 -4.033 10.164 1.349 1.00 0.14 H new ATOM 0 HB3 PHE A 41 -5.745 9.960 1.037 1.00 0.14 H new ATOM 0 HD1 PHE A 41 -3.307 12.291 2.662 1.00 0.25 H new ATOM 0 HD2 PHE A 41 -7.145 11.836 0.788 1.00 0.22 H new ATOM 0 HE1 PHE A 41 -3.602 14.754 2.665 1.00 0.34 H new ATOM 0 HE2 PHE A 41 -7.442 14.295 0.794 1.00 0.31 H new ATOM 0 HZ PHE A 41 -5.674 15.756 1.738 1.00 0.37 H new ATOM 633 N PHE A 42 -4.100 7.751 2.817 1.00 0.12 N ATOM 634 CA PHE A 42 -4.029 6.273 2.736 1.00 0.13 C ATOM 635 C PHE A 42 -4.481 5.668 4.065 1.00 0.14 C ATOM 636 O PHE A 42 -5.358 4.829 4.121 1.00 0.16 O ATOM 637 CB PHE A 42 -2.579 5.881 2.432 1.00 0.13 C ATOM 638 CG PHE A 42 -2.460 4.381 2.387 1.00 0.12 C ATOM 639 CD1 PHE A 42 -2.890 3.676 1.258 1.00 0.12 C ATOM 640 CD2 PHE A 42 -1.939 3.693 3.489 1.00 0.12 C ATOM 641 CE1 PHE A 42 -2.802 2.280 1.233 1.00 0.13 C ATOM 642 CE2 PHE A 42 -1.846 2.298 3.463 1.00 0.13 C ATOM 643 CZ PHE A 42 -2.279 1.590 2.335 1.00 0.13 C ATOM 0 H PHE A 42 -3.210 8.234 2.694 1.00 0.12 H new ATOM 0 HA PHE A 42 -4.683 5.898 1.949 1.00 0.13 H new ATOM 0 HB2 PHE A 42 -2.268 6.309 1.479 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -1.915 6.286 3.195 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -3.289 4.208 0.407 1.00 0.12 H new ATOM 0 HD2 PHE A 42 -1.609 4.240 4.360 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -3.137 1.734 0.364 1.00 0.13 H new ATOM 0 HE2 PHE A 42 -1.441 1.767 4.312 1.00 0.13 H new ATOM 0 HZ PHE A 42 -2.210 0.512 2.314 1.00 0.13 H new ATOM 653 N HIS A 43 -3.886 6.111 5.136 1.00 0.16 N ATOM 654 CA HIS A 43 -4.246 5.596 6.484 1.00 0.18 C ATOM 655 C HIS A 43 -5.669 6.042 6.875 1.00 0.16 C ATOM 656 O HIS A 43 -6.420 5.289 7.459 1.00 0.16 O ATOM 657 CB HIS A 43 -3.216 6.135 7.488 1.00 0.23 C ATOM 658 CG HIS A 43 -3.534 5.640 8.868 1.00 0.27 C ATOM 659 ND1 HIS A 43 -2.966 4.490 9.392 1.00 0.30 N ATOM 660 CD2 HIS A 43 -4.406 6.094 9.819 1.00 0.28 C ATOM 661 CE1 HIS A 43 -3.509 4.288 10.608 1.00 0.32 C ATOM 662 NE2 HIS A 43 -4.395 5.239 10.917 1.00 0.31 N ATOM 0 H HIS A 43 -3.153 6.820 5.133 1.00 0.16 H new ATOM 0 HA HIS A 43 -4.234 4.506 6.483 1.00 0.18 H new ATOM 0 HB2 HIS A 43 -2.214 5.815 7.200 1.00 0.23 H new ATOM 0 HB3 HIS A 43 -3.219 7.225 7.474 1.00 0.23 H new ATOM 0 HD2 HIS A 43 -5.013 6.983 9.731 1.00 0.28 H new ATOM 0 HE1 HIS A 43 -3.259 3.459 11.254 1.00 0.32 H new ATOM 0 HE2 HIS A 43 -4.944 5.321 11.772 1.00 0.31 H new ATOM 670 N SER A 44 -6.037 7.264 6.572 1.00 0.15 N ATOM 671 CA SER A 44 -7.409 7.755 6.937 1.00 0.15 C ATOM 672 C SER A 44 -8.503 6.942 6.225 1.00 0.13 C ATOM 673 O SER A 44 -9.534 6.649 6.791 1.00 0.15 O ATOM 674 CB SER A 44 -7.564 9.241 6.579 1.00 0.18 C ATOM 675 OG SER A 44 -6.645 10.013 7.346 1.00 0.22 O ATOM 0 H SER A 44 -5.450 7.943 6.089 1.00 0.15 H new ATOM 0 HA SER A 44 -7.525 7.627 8.013 1.00 0.15 H new ATOM 0 HB2 SER A 44 -7.381 9.391 5.515 1.00 0.18 H new ATOM 0 HB3 SER A 44 -8.585 9.569 6.777 1.00 0.18 H new ATOM 0 HG SER A 44 -5.728 9.788 7.082 1.00 0.22 H new ATOM 681 N LEU A 45 -8.296 6.592 4.980 1.00 0.12 N ATOM 682 CA LEU A 45 -9.341 5.825 4.228 1.00 0.14 C ATOM 683 C LEU A 45 -9.558 4.456 4.867 1.00 0.13 C ATOM 684 O LEU A 45 -10.558 3.808 4.634 1.00 0.15 O ATOM 685 CB LEU A 45 -8.898 5.625 2.776 1.00 0.16 C ATOM 686 CG LEU A 45 -8.892 6.978 2.036 1.00 0.18 C ATOM 687 CD1 LEU A 45 -7.990 6.886 0.800 1.00 0.20 C ATOM 688 CD2 LEU A 45 -10.315 7.362 1.596 1.00 0.22 C ATOM 0 H LEU A 45 -7.450 6.803 4.451 1.00 0.12 H new ATOM 0 HA LEU A 45 -10.271 6.393 4.259 1.00 0.14 H new ATOM 0 HB2 LEU A 45 -7.903 5.182 2.748 1.00 0.16 H new ATOM 0 HB3 LEU A 45 -9.571 4.930 2.274 1.00 0.16 H new ATOM 0 HG LEU A 45 -8.514 7.741 2.716 1.00 0.18 H new ATOM 0 HD11 LEU A 45 -7.988 7.843 0.279 1.00 0.20 H new ATOM 0 HD12 LEU A 45 -6.974 6.638 1.108 1.00 0.20 H new ATOM 0 HD13 LEU A 45 -8.366 6.111 0.132 1.00 0.20 H new ATOM 0 HD21 LEU A 45 -10.289 8.320 1.076 1.00 0.22 H new ATOM 0 HD22 LEU A 45 -10.708 6.596 0.927 1.00 0.22 H new ATOM 0 HD23 LEU A 45 -10.958 7.443 2.473 1.00 0.22 H new ATOM 700 N SER A 46 -8.626 3.986 5.648 1.00 0.12 N ATOM 701 CA SER A 46 -8.806 2.644 6.260 1.00 0.12 C ATOM 702 C SER A 46 -10.127 2.632 7.017 1.00 0.14 C ATOM 703 O SER A 46 -10.849 1.653 7.010 1.00 0.16 O ATOM 704 CB SER A 46 -7.651 2.354 7.222 1.00 0.13 C ATOM 705 OG SER A 46 -6.431 2.389 6.497 1.00 0.14 O ATOM 0 H SER A 46 -7.759 4.467 5.886 1.00 0.12 H new ATOM 0 HA SER A 46 -8.815 1.878 5.485 1.00 0.12 H new ATOM 0 HB2 SER A 46 -7.634 3.091 8.024 1.00 0.13 H new ATOM 0 HB3 SER A 46 -7.785 1.378 7.689 1.00 0.13 H new ATOM 0 HG SER A 46 -6.032 3.281 6.571 1.00 0.14 H new ATOM 711 N GLU A 47 -10.463 3.710 7.668 1.00 0.15 N ATOM 712 CA GLU A 47 -11.752 3.754 8.411 1.00 0.18 C ATOM 713 C GLU A 47 -12.892 4.112 7.446 1.00 0.18 C ATOM 714 O GLU A 47 -14.048 3.893 7.748 1.00 0.21 O ATOM 715 CB GLU A 47 -11.674 4.809 9.521 1.00 0.22 C ATOM 716 CG GLU A 47 -10.669 4.368 10.591 1.00 0.23 C ATOM 717 CD GLU A 47 -11.163 3.086 11.264 1.00 1.34 C ATOM 718 OE1 GLU A 47 -12.366 2.881 11.287 1.00 2.05 O ATOM 719 OE2 GLU A 47 -10.333 2.330 11.739 1.00 2.16 O ATOM 0 H GLU A 47 -9.902 4.561 7.718 1.00 0.15 H new ATOM 0 HA GLU A 47 -11.943 2.776 8.854 1.00 0.18 H new ATOM 0 HB2 GLU A 47 -11.374 5.769 9.101 1.00 0.22 H new ATOM 0 HB3 GLU A 47 -12.657 4.951 9.970 1.00 0.22 H new ATOM 0 HG2 GLU A 47 -9.692 4.200 10.139 1.00 0.23 H new ATOM 0 HG3 GLU A 47 -10.545 5.156 11.334 1.00 0.23 H new ATOM 726 N LYS A 48 -12.592 4.654 6.288 1.00 0.17 N ATOM 727 CA LYS A 48 -13.697 4.993 5.343 1.00 0.19 C ATOM 728 C LYS A 48 -14.138 3.702 4.676 1.00 0.18 C ATOM 729 O LYS A 48 -15.303 3.484 4.416 1.00 0.21 O ATOM 730 CB LYS A 48 -13.221 5.986 4.279 1.00 0.20 C ATOM 731 CG LYS A 48 -14.415 6.391 3.403 1.00 0.30 C ATOM 732 CD LYS A 48 -13.951 7.305 2.263 1.00 0.82 C ATOM 733 CE LYS A 48 -13.720 8.729 2.781 1.00 1.03 C ATOM 734 NZ LYS A 48 -13.512 9.645 1.623 1.00 1.78 N ATOM 0 H LYS A 48 -11.650 4.871 5.964 1.00 0.17 H new ATOM 0 HA LYS A 48 -14.521 5.457 5.886 1.00 0.19 H new ATOM 0 HB2 LYS A 48 -12.786 6.866 4.753 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -12.440 5.536 3.666 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -14.893 5.501 2.993 1.00 0.30 H new ATOM 0 HG3 LYS A 48 -15.162 6.904 4.009 1.00 0.30 H new ATOM 0 HD2 LYS A 48 -13.031 6.916 1.828 1.00 0.82 H new ATOM 0 HD3 LYS A 48 -14.699 7.316 1.470 1.00 0.82 H new ATOM 0 HE2 LYS A 48 -14.576 9.058 3.371 1.00 1.03 H new ATOM 0 HE3 LYS A 48 -12.852 8.753 3.439 1.00 1.03 H new ATOM 0 HZ1 LYS A 48 -13.355 10.613 1.970 1.00 1.78 H new ATOM 0 HZ2 LYS A 48 -12.683 9.333 1.078 1.00 1.78 H new ATOM 0 HZ3 LYS A 48 -14.353 9.629 1.012 1.00 1.78 H new ATOM 748 N TYR A 49 -13.195 2.834 4.421 1.00 0.16 N ATOM 749 CA TYR A 49 -13.506 1.514 3.801 1.00 0.17 C ATOM 750 C TYR A 49 -12.991 0.444 4.748 1.00 0.16 C ATOM 751 O TYR A 49 -12.052 -0.272 4.462 1.00 0.16 O ATOM 752 CB TYR A 49 -12.800 1.387 2.446 1.00 0.17 C ATOM 753 CG TYR A 49 -13.345 2.429 1.502 1.00 0.17 C ATOM 754 CD1 TYR A 49 -14.654 2.310 1.025 1.00 0.22 C ATOM 755 CD2 TYR A 49 -12.552 3.515 1.112 1.00 0.19 C ATOM 756 CE1 TYR A 49 -15.172 3.275 0.156 1.00 0.25 C ATOM 757 CE2 TYR A 49 -13.069 4.481 0.244 1.00 0.20 C ATOM 758 CZ TYR A 49 -14.380 4.361 -0.235 1.00 0.21 C ATOM 759 OH TYR A 49 -14.890 5.311 -1.092 1.00 0.25 O ATOM 0 H TYR A 49 -12.206 2.987 4.620 1.00 0.16 H new ATOM 0 HA TYR A 49 -14.578 1.410 3.636 1.00 0.17 H new ATOM 0 HB2 TYR A 49 -11.725 1.518 2.569 1.00 0.17 H new ATOM 0 HB3 TYR A 49 -12.955 0.390 2.034 1.00 0.17 H new ATOM 0 HD1 TYR A 49 -15.265 1.473 1.328 1.00 0.22 H new ATOM 0 HD2 TYR A 49 -11.541 3.606 1.482 1.00 0.19 H new ATOM 0 HE1 TYR A 49 -16.183 3.183 -0.213 1.00 0.25 H new ATOM 0 HE2 TYR A 49 -12.458 5.319 -0.057 1.00 0.20 H new ATOM 0 HH TYR A 49 -14.375 5.309 -1.926 1.00 0.25 H new ATOM 769 N SER A 50 -13.615 0.337 5.884 1.00 0.17 N ATOM 770 CA SER A 50 -13.195 -0.667 6.885 1.00 0.18 C ATOM 771 C SER A 50 -13.457 -2.059 6.319 1.00 0.19 C ATOM 772 O SER A 50 -13.022 -3.058 6.857 1.00 0.21 O ATOM 773 CB SER A 50 -13.989 -0.444 8.171 1.00 0.20 C ATOM 774 OG SER A 50 -15.345 -0.813 7.956 1.00 0.22 O ATOM 0 H SER A 50 -14.410 0.913 6.162 1.00 0.17 H new ATOM 0 HA SER A 50 -12.133 -0.572 7.110 1.00 0.18 H new ATOM 0 HB2 SER A 50 -13.563 -1.035 8.982 1.00 0.20 H new ATOM 0 HB3 SER A 50 -13.928 0.602 8.473 1.00 0.20 H new ATOM 0 HG SER A 50 -15.857 -0.673 8.780 1.00 0.22 H new ATOM 780 N ASN A 51 -14.149 -2.122 5.211 1.00 0.20 N ATOM 781 CA ASN A 51 -14.431 -3.436 4.569 1.00 0.23 C ATOM 782 C ASN A 51 -13.280 -3.753 3.612 1.00 0.19 C ATOM 783 O ASN A 51 -13.313 -4.723 2.883 1.00 0.22 O ATOM 784 CB ASN A 51 -15.743 -3.348 3.778 1.00 0.32 C ATOM 785 CG ASN A 51 -16.194 -4.749 3.347 1.00 0.54 C ATOM 786 OD1 ASN A 51 -16.550 -5.565 4.174 1.00 1.13 O ATOM 787 ND2 ASN A 51 -16.202 -5.057 2.078 1.00 0.27 N ATOM 0 H ASN A 51 -14.532 -1.313 4.722 1.00 0.20 H new ATOM 0 HA ASN A 51 -14.523 -4.216 5.325 1.00 0.23 H new ATOM 0 HB2 ASN A 51 -16.515 -2.881 4.390 1.00 0.32 H new ATOM 0 HB3 ASN A 51 -15.606 -2.716 2.901 1.00 0.32 H new ATOM 0 HD21 ASN A 51 -16.507 -5.983 1.780 1.00 0.27 H new ATOM 0 HD22 ASN A 51 -15.903 -4.371 1.385 1.00 0.27 H new ATOM 794 N VAL A 52 -12.248 -2.938 3.630 1.00 0.21 N ATOM 795 CA VAL A 52 -11.059 -3.165 2.752 1.00 0.17 C ATOM 796 C VAL A 52 -9.812 -3.160 3.639 1.00 0.13 C ATOM 797 O VAL A 52 -9.767 -2.464 4.634 1.00 0.14 O ATOM 798 CB VAL A 52 -10.968 -2.046 1.706 1.00 0.19 C ATOM 799 CG1 VAL A 52 -9.676 -2.199 0.897 1.00 0.19 C ATOM 800 CG2 VAL A 52 -12.173 -2.133 0.762 1.00 0.24 C ATOM 0 H VAL A 52 -12.182 -2.113 4.227 1.00 0.21 H new ATOM 0 HA VAL A 52 -11.144 -4.118 2.229 1.00 0.17 H new ATOM 0 HB VAL A 52 -10.966 -1.080 2.210 1.00 0.19 H new ATOM 0 HG11 VAL A 52 -9.615 -1.403 0.155 1.00 0.19 H new ATOM 0 HG12 VAL A 52 -8.818 -2.138 1.567 1.00 0.19 H new ATOM 0 HG13 VAL A 52 -9.675 -3.165 0.393 1.00 0.19 H new ATOM 0 HG21 VAL A 52 -12.110 -1.339 0.018 1.00 0.24 H new ATOM 0 HG22 VAL A 52 -12.173 -3.101 0.261 1.00 0.24 H new ATOM 0 HG23 VAL A 52 -13.093 -2.021 1.335 1.00 0.24 H new ATOM 810 N ILE A 53 -8.806 -3.941 3.318 1.00 0.11 N ATOM 811 CA ILE A 53 -7.587 -3.976 4.192 1.00 0.09 C ATOM 812 C ILE A 53 -6.480 -3.098 3.578 1.00 0.09 C ATOM 813 O ILE A 53 -6.073 -3.300 2.451 1.00 0.12 O ATOM 814 CB ILE A 53 -7.071 -5.419 4.290 1.00 0.11 C ATOM 815 CG1 ILE A 53 -8.214 -6.386 4.654 1.00 0.13 C ATOM 816 CG2 ILE A 53 -5.999 -5.495 5.379 1.00 0.13 C ATOM 817 CD1 ILE A 53 -8.988 -5.885 5.878 1.00 0.15 C ATOM 0 H ILE A 53 -8.775 -4.549 2.499 1.00 0.11 H new ATOM 0 HA ILE A 53 -7.848 -3.602 5.182 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.658 -5.706 3.323 1.00 0.11 H new ATOM 0 HG12 ILE A 53 -8.892 -6.488 3.807 1.00 0.13 H new ATOM 0 HG13 ILE A 53 -7.807 -7.376 4.857 1.00 0.13 H new ATOM 0 HG21 ILE A 53 -5.628 -6.517 5.454 1.00 0.13 H new ATOM 0 HG22 ILE A 53 -5.175 -4.828 5.126 1.00 0.13 H new ATOM 0 HG23 ILE A 53 -6.429 -5.194 6.334 1.00 0.13 H new ATOM 0 HD11 ILE A 53 -9.789 -6.586 6.114 1.00 0.15 H new ATOM 0 HD12 ILE A 53 -8.312 -5.807 6.729 1.00 0.15 H new ATOM 0 HD13 ILE A 53 -9.415 -4.905 5.663 1.00 0.15 H new ATOM 829 N PHE A 54 -5.981 -2.137 4.321 1.00 0.08 N ATOM 830 CA PHE A 54 -4.883 -1.250 3.798 1.00 0.09 C ATOM 831 C PHE A 54 -3.554 -1.642 4.468 1.00 0.09 C ATOM 832 O PHE A 54 -3.452 -1.662 5.679 1.00 0.12 O ATOM 833 CB PHE A 54 -5.186 0.210 4.164 1.00 0.10 C ATOM 834 CG PHE A 54 -6.399 0.722 3.414 1.00 0.09 C ATOM 835 CD1 PHE A 54 -7.686 0.326 3.799 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.236 1.623 2.349 1.00 0.10 C ATOM 837 CE1 PHE A 54 -8.807 0.828 3.122 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.359 2.119 1.670 1.00 0.11 C ATOM 839 CZ PHE A 54 -8.642 1.723 2.058 1.00 0.10 C ATOM 0 H PHE A 54 -6.286 -1.926 5.271 1.00 0.08 H new ATOM 0 HA PHE A 54 -4.816 -1.363 2.716 1.00 0.09 H new ATOM 0 HB2 PHE A 54 -5.358 0.291 5.237 1.00 0.10 H new ATOM 0 HB3 PHE A 54 -4.322 0.833 3.932 1.00 0.10 H new ATOM 0 HD1 PHE A 54 -7.815 -0.366 4.618 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.245 1.934 2.052 1.00 0.10 H new ATOM 0 HE1 PHE A 54 -9.799 0.524 3.422 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.232 2.807 0.847 1.00 0.11 H new ATOM 0 HZ PHE A 54 -9.506 2.107 1.537 1.00 0.10 H new ATOM 849 N LEU A 55 -2.528 -1.937 3.696 1.00 0.09 N ATOM 850 CA LEU A 55 -1.192 -2.308 4.290 1.00 0.11 C ATOM 851 C LEU A 55 -0.188 -1.195 4.022 1.00 0.10 C ATOM 852 O LEU A 55 -0.147 -0.625 2.950 1.00 0.10 O ATOM 853 CB LEU A 55 -0.634 -3.622 3.683 1.00 0.12 C ATOM 854 CG LEU A 55 -1.351 -4.866 4.249 1.00 0.15 C ATOM 855 CD1 LEU A 55 -2.854 -4.642 4.355 1.00 0.20 C ATOM 856 CD2 LEU A 55 -1.085 -6.073 3.345 1.00 0.22 C ATOM 0 H LEU A 55 -2.557 -1.937 2.676 1.00 0.09 H new ATOM 0 HA LEU A 55 -1.341 -2.453 5.360 1.00 0.11 H new ATOM 0 HB2 LEU A 55 -0.748 -3.599 2.599 1.00 0.12 H new ATOM 0 HB3 LEU A 55 0.434 -3.693 3.890 1.00 0.12 H new ATOM 0 HG LEU A 55 -0.959 -5.052 5.249 1.00 0.15 H new ATOM 0 HD11 LEU A 55 -3.328 -5.538 4.757 1.00 0.20 H new ATOM 0 HD12 LEU A 55 -3.050 -3.799 5.017 1.00 0.20 H new ATOM 0 HD13 LEU A 55 -3.261 -4.429 3.366 1.00 0.20 H new ATOM 0 HD21 LEU A 55 -1.593 -6.949 3.749 1.00 0.22 H new ATOM 0 HD22 LEU A 55 -1.459 -5.866 2.342 1.00 0.22 H new ATOM 0 HD23 LEU A 55 -0.013 -6.264 3.300 1.00 0.22 H new ATOM 868 N GLU A 56 0.651 -0.916 4.983 1.00 0.12 N ATOM 869 CA GLU A 56 1.706 0.125 4.804 1.00 0.13 C ATOM 870 C GLU A 56 3.036 -0.610 4.764 1.00 0.13 C ATOM 871 O GLU A 56 3.292 -1.466 5.587 1.00 0.14 O ATOM 872 CB GLU A 56 1.694 1.105 5.979 1.00 0.15 C ATOM 873 CG GLU A 56 2.626 2.280 5.668 1.00 0.17 C ATOM 874 CD GLU A 56 2.899 3.064 6.953 1.00 0.20 C ATOM 875 OE1 GLU A 56 2.019 3.791 7.382 1.00 1.05 O ATOM 876 OE2 GLU A 56 3.984 2.915 7.492 1.00 1.13 O ATOM 0 H GLU A 56 0.651 -1.371 5.896 1.00 0.12 H new ATOM 0 HA GLU A 56 1.536 0.697 3.892 1.00 0.13 H new ATOM 0 HB2 GLU A 56 0.681 1.466 6.156 1.00 0.15 H new ATOM 0 HB3 GLU A 56 2.016 0.602 6.891 1.00 0.15 H new ATOM 0 HG2 GLU A 56 3.562 1.914 5.246 1.00 0.17 H new ATOM 0 HG3 GLU A 56 2.172 2.931 4.921 1.00 0.17 H new ATOM 883 N VAL A 57 3.871 -0.318 3.804 1.00 0.12 N ATOM 884 CA VAL A 57 5.183 -1.036 3.698 1.00 0.12 C ATOM 885 C VAL A 57 6.330 -0.028 3.640 1.00 0.11 C ATOM 886 O VAL A 57 6.261 0.971 2.954 1.00 0.13 O ATOM 887 CB VAL A 57 5.184 -1.877 2.419 1.00 0.12 C ATOM 888 CG1 VAL A 57 6.474 -2.687 2.338 1.00 0.15 C ATOM 889 CG2 VAL A 57 3.992 -2.830 2.436 1.00 0.14 C ATOM 0 H VAL A 57 3.705 0.387 3.086 1.00 0.12 H new ATOM 0 HA VAL A 57 5.317 -1.676 4.570 1.00 0.12 H new ATOM 0 HB VAL A 57 5.114 -1.217 1.554 1.00 0.12 H new ATOM 0 HG11 VAL A 57 6.472 -3.285 1.426 1.00 0.15 H new ATOM 0 HG12 VAL A 57 7.328 -2.010 2.326 1.00 0.15 H new ATOM 0 HG13 VAL A 57 6.545 -3.346 3.204 1.00 0.15 H new ATOM 0 HG21 VAL A 57 3.992 -3.429 1.525 1.00 0.14 H new ATOM 0 HG22 VAL A 57 4.064 -3.487 3.303 1.00 0.14 H new ATOM 0 HG23 VAL A 57 3.067 -2.255 2.492 1.00 0.14 H new ATOM 899 N ASP A 58 7.396 -0.295 4.348 1.00 0.10 N ATOM 900 CA ASP A 58 8.569 0.625 4.333 1.00 0.09 C ATOM 901 C ASP A 58 9.600 0.051 3.367 1.00 0.09 C ATOM 902 O ASP A 58 10.098 -1.038 3.563 1.00 0.09 O ATOM 903 CB ASP A 58 9.171 0.683 5.734 1.00 0.10 C ATOM 904 CG ASP A 58 10.212 1.804 5.799 1.00 0.11 C ATOM 905 OD1 ASP A 58 10.594 2.292 4.748 1.00 1.05 O ATOM 906 OD2 ASP A 58 10.600 2.161 6.899 1.00 1.02 O ATOM 0 H ASP A 58 7.504 -1.118 4.941 1.00 0.10 H new ATOM 0 HA ASP A 58 8.271 1.627 4.024 1.00 0.09 H new ATOM 0 HB2 ASP A 58 8.387 0.858 6.471 1.00 0.10 H new ATOM 0 HB3 ASP A 58 9.634 -0.272 5.982 1.00 0.10 H new ATOM 911 N VAL A 59 9.945 0.761 2.336 1.00 0.09 N ATOM 912 CA VAL A 59 10.952 0.206 1.396 1.00 0.10 C ATOM 913 C VAL A 59 12.295 0.143 2.110 1.00 0.11 C ATOM 914 O VAL A 59 13.198 -0.549 1.691 1.00 0.12 O ATOM 915 CB VAL A 59 11.078 1.106 0.167 1.00 0.12 C ATOM 916 CG1 VAL A 59 9.740 1.156 -0.574 1.00 0.14 C ATOM 917 CG2 VAL A 59 11.483 2.515 0.601 1.00 0.16 C ATOM 0 H VAL A 59 9.582 1.686 2.104 1.00 0.09 H new ATOM 0 HA VAL A 59 10.643 -0.788 1.074 1.00 0.10 H new ATOM 0 HB VAL A 59 11.841 0.703 -0.499 1.00 0.12 H new ATOM 0 HG11 VAL A 59 9.833 1.798 -1.450 1.00 0.14 H new ATOM 0 HG12 VAL A 59 9.461 0.151 -0.889 1.00 0.14 H new ATOM 0 HG13 VAL A 59 8.972 1.555 0.089 1.00 0.14 H new ATOM 0 HG21 VAL A 59 11.572 3.155 -0.277 1.00 0.16 H new ATOM 0 HG22 VAL A 59 10.725 2.921 1.271 1.00 0.16 H new ATOM 0 HG23 VAL A 59 12.441 2.475 1.119 1.00 0.16 H new ATOM 927 N ASP A 60 12.439 0.883 3.181 1.00 0.10 N ATOM 928 CA ASP A 60 13.738 0.894 3.922 1.00 0.12 C ATOM 929 C ASP A 60 13.757 -0.143 5.058 1.00 0.13 C ATOM 930 O ASP A 60 14.747 -0.818 5.253 1.00 0.15 O ATOM 931 CB ASP A 60 13.947 2.298 4.488 1.00 0.14 C ATOM 932 CG ASP A 60 14.476 3.211 3.381 1.00 0.16 C ATOM 933 OD1 ASP A 60 13.668 3.698 2.611 1.00 1.08 O ATOM 934 OD2 ASP A 60 15.681 3.393 3.312 1.00 1.07 O ATOM 0 H ASP A 60 11.712 1.481 3.575 1.00 0.10 H new ATOM 0 HA ASP A 60 14.543 0.629 3.236 1.00 0.12 H new ATOM 0 HB2 ASP A 60 13.008 2.689 4.881 1.00 0.14 H new ATOM 0 HB3 ASP A 60 14.652 2.267 5.319 1.00 0.14 H new ATOM 939 N ASP A 61 12.688 -0.297 5.800 1.00 0.13 N ATOM 940 CA ASP A 61 12.691 -1.313 6.905 1.00 0.15 C ATOM 941 C ASP A 61 12.047 -2.588 6.376 1.00 0.14 C ATOM 942 O ASP A 61 12.217 -3.661 6.919 1.00 0.19 O ATOM 943 CB ASP A 61 11.900 -0.794 8.104 1.00 0.16 C ATOM 944 CG ASP A 61 12.545 0.497 8.609 1.00 0.19 C ATOM 945 OD1 ASP A 61 13.498 0.940 7.989 1.00 1.07 O ATOM 946 OD2 ASP A 61 12.073 1.022 9.603 1.00 1.01 O ATOM 0 H ASP A 61 11.821 0.229 5.693 1.00 0.13 H new ATOM 0 HA ASP A 61 13.713 -1.508 7.229 1.00 0.15 H new ATOM 0 HB2 ASP A 61 10.864 -0.610 7.820 1.00 0.16 H new ATOM 0 HB3 ASP A 61 11.885 -1.542 8.897 1.00 0.16 H new ATOM 951 N ALA A 62 11.310 -2.465 5.304 1.00 0.11 N ATOM 952 CA ALA A 62 10.639 -3.645 4.684 1.00 0.12 C ATOM 953 C ALA A 62 11.158 -3.771 3.251 1.00 0.11 C ATOM 954 O ALA A 62 10.423 -4.066 2.331 1.00 0.12 O ATOM 955 CB ALA A 62 9.116 -3.434 4.689 1.00 0.14 C ATOM 0 H ALA A 62 11.142 -1.581 4.824 1.00 0.11 H new ATOM 0 HA ALA A 62 10.856 -4.556 5.242 1.00 0.12 H new ATOM 0 HB1 ALA A 62 8.628 -4.297 4.236 1.00 0.14 H new ATOM 0 HB2 ALA A 62 8.768 -3.318 5.715 1.00 0.14 H new ATOM 0 HB3 ALA A 62 8.871 -2.538 4.119 1.00 0.14 H new ATOM 961 N GLN A 63 12.422 -3.522 3.064 1.00 0.11 N ATOM 962 CA GLN A 63 13.007 -3.588 1.699 1.00 0.12 C ATOM 963 C GLN A 63 12.839 -4.999 1.126 1.00 0.12 C ATOM 964 O GLN A 63 12.831 -5.184 -0.072 1.00 0.14 O ATOM 965 CB GLN A 63 14.498 -3.214 1.760 1.00 0.13 C ATOM 966 CG GLN A 63 15.283 -4.296 2.505 1.00 0.15 C ATOM 967 CD GLN A 63 16.693 -3.783 2.822 1.00 0.77 C ATOM 968 OE1 GLN A 63 17.453 -3.460 1.929 1.00 1.47 O ATOM 969 NE2 GLN A 63 17.079 -3.696 4.067 1.00 1.43 N ATOM 0 H GLN A 63 13.079 -3.274 3.804 1.00 0.11 H new ATOM 0 HA GLN A 63 12.488 -2.883 1.049 1.00 0.12 H new ATOM 0 HB2 GLN A 63 14.893 -3.097 0.751 1.00 0.13 H new ATOM 0 HB3 GLN A 63 14.620 -2.255 2.263 1.00 0.13 H new ATOM 0 HG2 GLN A 63 14.767 -4.564 3.427 1.00 0.15 H new ATOM 0 HG3 GLN A 63 15.342 -5.200 1.898 1.00 0.15 H new ATOM 0 HE21 GLN A 63 16.444 -3.966 4.818 1.00 1.43 H new ATOM 0 HE22 GLN A 63 18.016 -3.358 4.288 1.00 1.43 H new ATOM 978 N ASP A 64 12.692 -5.996 1.955 1.00 0.13 N ATOM 979 CA ASP A 64 12.517 -7.372 1.414 1.00 0.13 C ATOM 980 C ASP A 64 11.201 -7.444 0.637 1.00 0.15 C ATOM 981 O ASP A 64 11.110 -8.086 -0.389 1.00 0.16 O ATOM 982 CB ASP A 64 12.495 -8.387 2.562 1.00 0.17 C ATOM 983 CG ASP A 64 11.499 -7.951 3.633 1.00 0.21 C ATOM 984 OD1 ASP A 64 10.345 -7.782 3.302 1.00 1.05 O ATOM 985 OD2 ASP A 64 11.906 -7.812 4.774 1.00 1.02 O ATOM 0 H ASP A 64 12.685 -5.919 2.972 1.00 0.13 H new ATOM 0 HA ASP A 64 13.348 -7.608 0.750 1.00 0.13 H new ATOM 0 HB2 ASP A 64 12.223 -9.371 2.181 1.00 0.17 H new ATOM 0 HB3 ASP A 64 13.491 -8.477 2.996 1.00 0.17 H new ATOM 990 N VAL A 65 10.185 -6.786 1.122 1.00 0.17 N ATOM 991 CA VAL A 65 8.872 -6.810 0.425 1.00 0.22 C ATOM 992 C VAL A 65 8.964 -6.005 -0.870 1.00 0.22 C ATOM 993 O VAL A 65 8.465 -6.400 -1.907 1.00 0.26 O ATOM 994 CB VAL A 65 7.822 -6.132 1.313 1.00 0.26 C ATOM 995 CG1 VAL A 65 6.434 -6.389 0.733 1.00 0.35 C ATOM 996 CG2 VAL A 65 7.906 -6.666 2.746 1.00 0.32 C ATOM 0 H VAL A 65 10.210 -6.230 1.977 1.00 0.17 H new ATOM 0 HA VAL A 65 8.601 -7.845 0.215 1.00 0.22 H new ATOM 0 HB VAL A 65 8.012 -5.059 1.339 1.00 0.26 H new ATOM 0 HG11 VAL A 65 5.683 -5.909 1.360 1.00 0.35 H new ATOM 0 HG12 VAL A 65 6.380 -5.979 -0.276 1.00 0.35 H new ATOM 0 HG13 VAL A 65 6.247 -7.462 0.699 1.00 0.35 H new ATOM 0 HG21 VAL A 65 7.154 -6.174 3.362 1.00 0.32 H new ATOM 0 HG22 VAL A 65 7.727 -7.741 2.745 1.00 0.32 H new ATOM 0 HG23 VAL A 65 8.897 -6.463 3.152 1.00 0.32 H new ATOM 1006 N ALA A 66 9.576 -4.858 -0.799 1.00 0.19 N ATOM 1007 CA ALA A 66 9.685 -3.989 -1.999 1.00 0.22 C ATOM 1008 C ALA A 66 10.658 -4.595 -3.013 1.00 0.23 C ATOM 1009 O ALA A 66 10.430 -4.550 -4.207 1.00 0.26 O ATOM 1010 CB ALA A 66 10.158 -2.595 -1.564 1.00 0.25 C ATOM 0 H ALA A 66 10.008 -4.483 0.046 1.00 0.19 H new ATOM 0 HA ALA A 66 8.710 -3.907 -2.479 1.00 0.22 H new ATOM 0 HB1 ALA A 66 10.241 -1.950 -2.438 1.00 0.25 H new ATOM 0 HB2 ALA A 66 9.439 -2.168 -0.865 1.00 0.25 H new ATOM 0 HB3 ALA A 66 11.131 -2.676 -1.079 1.00 0.25 H new ATOM 1016 N SER A 67 11.745 -5.157 -2.558 1.00 0.21 N ATOM 1017 CA SER A 67 12.718 -5.756 -3.515 1.00 0.23 C ATOM 1018 C SER A 67 12.021 -6.857 -4.309 1.00 0.23 C ATOM 1019 O SER A 67 12.310 -7.086 -5.466 1.00 0.24 O ATOM 1020 CB SER A 67 13.889 -6.361 -2.744 1.00 0.23 C ATOM 1021 OG SER A 67 13.419 -7.461 -1.973 1.00 0.22 O ATOM 0 H SER A 67 12.000 -5.227 -1.573 1.00 0.21 H new ATOM 0 HA SER A 67 13.087 -4.984 -4.190 1.00 0.23 H new ATOM 0 HB2 SER A 67 14.665 -6.690 -3.435 1.00 0.23 H new ATOM 0 HB3 SER A 67 14.339 -5.611 -2.094 1.00 0.23 H new ATOM 0 HG SER A 67 12.562 -7.228 -1.558 1.00 0.22 H new ATOM 1027 N GLU A 68 11.088 -7.530 -3.695 1.00 0.23 N ATOM 1028 CA GLU A 68 10.352 -8.605 -4.412 1.00 0.25 C ATOM 1029 C GLU A 68 9.598 -7.987 -5.594 1.00 0.22 C ATOM 1030 O GLU A 68 9.503 -8.569 -6.657 1.00 0.24 O ATOM 1031 CB GLU A 68 9.357 -9.266 -3.449 1.00 0.29 C ATOM 1032 CG GLU A 68 8.662 -10.443 -4.140 1.00 0.32 C ATOM 1033 CD GLU A 68 7.527 -10.954 -3.254 1.00 1.27 C ATOM 1034 OE1 GLU A 68 7.375 -10.433 -2.161 1.00 1.96 O ATOM 1035 OE2 GLU A 68 6.826 -11.854 -3.685 1.00 2.06 O ATOM 0 H GLU A 68 10.804 -7.381 -2.727 1.00 0.23 H new ATOM 0 HA GLU A 68 11.051 -9.357 -4.778 1.00 0.25 H new ATOM 0 HB2 GLU A 68 9.878 -9.614 -2.557 1.00 0.29 H new ATOM 0 HB3 GLU A 68 8.616 -8.537 -3.122 1.00 0.29 H new ATOM 0 HG2 GLU A 68 8.270 -10.131 -5.108 1.00 0.32 H new ATOM 0 HG3 GLU A 68 9.378 -11.242 -4.329 1.00 0.32 H new ATOM 1042 N ALA A 69 9.042 -6.818 -5.401 1.00 0.20 N ATOM 1043 CA ALA A 69 8.269 -6.157 -6.496 1.00 0.20 C ATOM 1044 C ALA A 69 9.179 -5.268 -7.348 1.00 0.19 C ATOM 1045 O ALA A 69 8.729 -4.637 -8.281 1.00 0.20 O ATOM 1046 CB ALA A 69 7.157 -5.300 -5.885 1.00 0.23 C ATOM 0 H ALA A 69 9.090 -6.291 -4.529 1.00 0.20 H new ATOM 0 HA ALA A 69 7.842 -6.931 -7.134 1.00 0.20 H new ATOM 0 HB1 ALA A 69 6.591 -4.816 -6.681 1.00 0.23 H new ATOM 0 HB2 ALA A 69 6.490 -5.933 -5.299 1.00 0.23 H new ATOM 0 HB3 ALA A 69 7.597 -4.540 -5.239 1.00 0.23 H new ATOM 1052 N GLU A 70 10.445 -5.200 -7.039 1.00 0.18 N ATOM 1053 CA GLU A 70 11.355 -4.340 -7.851 1.00 0.18 C ATOM 1054 C GLU A 70 10.790 -2.927 -7.931 1.00 0.17 C ATOM 1055 O GLU A 70 10.683 -2.361 -9.000 1.00 0.18 O ATOM 1056 CB GLU A 70 11.486 -4.890 -9.274 1.00 0.22 C ATOM 1057 CG GLU A 70 12.207 -6.234 -9.255 1.00 0.24 C ATOM 1058 CD GLU A 70 11.295 -7.315 -8.668 1.00 1.24 C ATOM 1059 OE1 GLU A 70 10.098 -7.246 -8.898 1.00 2.02 O ATOM 1060 OE2 GLU A 70 11.809 -8.195 -7.998 1.00 2.02 O ATOM 0 H GLU A 70 10.887 -5.698 -6.266 1.00 0.18 H new ATOM 0 HA GLU A 70 12.334 -4.331 -7.372 1.00 0.18 H new ATOM 0 HB2 GLU A 70 10.498 -5.005 -9.719 1.00 0.22 H new ATOM 0 HB3 GLU A 70 12.035 -4.183 -9.896 1.00 0.22 H new ATOM 0 HG2 GLU A 70 12.505 -6.509 -10.267 1.00 0.24 H new ATOM 0 HG3 GLU A 70 13.119 -6.157 -8.664 1.00 0.24 H new ATOM 1067 N VAL A 71 10.427 -2.340 -6.829 1.00 0.15 N ATOM 1068 CA VAL A 71 9.864 -0.969 -6.905 1.00 0.14 C ATOM 1069 C VAL A 71 10.943 -0.026 -7.427 1.00 0.14 C ATOM 1070 O VAL A 71 12.075 -0.061 -6.987 1.00 0.16 O ATOM 1071 CB VAL A 71 9.432 -0.506 -5.517 1.00 0.13 C ATOM 1072 CG1 VAL A 71 8.736 0.847 -5.642 1.00 0.14 C ATOM 1073 CG2 VAL A 71 8.467 -1.528 -4.911 1.00 0.15 C ATOM 0 H VAL A 71 10.494 -2.742 -5.894 1.00 0.15 H new ATOM 0 HA VAL A 71 9.000 -0.967 -7.570 1.00 0.14 H new ATOM 0 HB VAL A 71 10.304 -0.414 -4.870 1.00 0.13 H new ATOM 0 HG11 VAL A 71 8.423 1.188 -4.655 1.00 0.14 H new ATOM 0 HG12 VAL A 71 9.425 1.572 -6.074 1.00 0.14 H new ATOM 0 HG13 VAL A 71 7.862 0.749 -6.286 1.00 0.14 H new ATOM 0 HG21 VAL A 71 8.160 -1.195 -3.920 1.00 0.15 H new ATOM 0 HG22 VAL A 71 7.589 -1.623 -5.550 1.00 0.15 H new ATOM 0 HG23 VAL A 71 8.964 -2.495 -4.831 1.00 0.15 H new ATOM 1083 N LYS A 72 10.603 0.805 -8.379 1.00 0.15 N ATOM 1084 CA LYS A 72 11.599 1.750 -8.954 1.00 0.16 C ATOM 1085 C LYS A 72 11.375 3.164 -8.403 1.00 0.15 C ATOM 1086 O LYS A 72 12.199 4.037 -8.583 1.00 0.16 O ATOM 1087 CB LYS A 72 11.465 1.749 -10.481 1.00 0.19 C ATOM 1088 CG LYS A 72 11.733 0.336 -11.041 1.00 0.23 C ATOM 1089 CD LYS A 72 13.241 0.034 -11.030 1.00 0.74 C ATOM 1090 CE LYS A 72 13.519 -1.231 -11.843 1.00 0.88 C ATOM 1091 NZ LYS A 72 14.974 -1.545 -11.777 1.00 1.60 N ATOM 0 H LYS A 72 9.669 0.867 -8.784 1.00 0.15 H new ATOM 0 HA LYS A 72 12.603 1.431 -8.675 1.00 0.16 H new ATOM 0 HB2 LYS A 72 10.465 2.077 -10.765 1.00 0.19 H new ATOM 0 HB3 LYS A 72 12.169 2.459 -10.915 1.00 0.19 H new ATOM 0 HG2 LYS A 72 11.202 -0.406 -10.444 1.00 0.23 H new ATOM 0 HG3 LYS A 72 11.348 0.261 -12.058 1.00 0.23 H new ATOM 0 HD2 LYS A 72 13.793 0.875 -11.448 1.00 0.74 H new ATOM 0 HD3 LYS A 72 13.588 -0.097 -10.005 1.00 0.74 H new ATOM 0 HE2 LYS A 72 12.937 -2.065 -11.451 1.00 0.88 H new ATOM 0 HE3 LYS A 72 13.212 -1.087 -12.879 1.00 0.88 H new ATOM 0 HZ1 LYS A 72 15.169 -2.405 -12.329 1.00 1.60 H new ATOM 0 HZ2 LYS A 72 15.519 -0.751 -12.170 1.00 1.60 H new ATOM 0 HZ3 LYS A 72 15.251 -1.699 -10.787 1.00 1.60 H new ATOM 1105 N ALA A 73 10.282 3.409 -7.726 1.00 0.13 N ATOM 1106 CA ALA A 73 10.065 4.781 -7.175 1.00 0.13 C ATOM 1107 C ALA A 73 8.977 4.773 -6.089 1.00 0.11 C ATOM 1108 O ALA A 73 8.123 3.912 -6.055 1.00 0.12 O ATOM 1109 CB ALA A 73 9.665 5.731 -8.309 1.00 0.14 C ATOM 0 H ALA A 73 9.543 2.733 -7.533 1.00 0.13 H new ATOM 0 HA ALA A 73 10.995 5.124 -6.721 1.00 0.13 H new ATOM 0 HB1 ALA A 73 9.507 6.732 -7.907 1.00 0.14 H new ATOM 0 HB2 ALA A 73 10.459 5.761 -9.055 1.00 0.14 H new ATOM 0 HB3 ALA A 73 8.744 5.377 -8.773 1.00 0.14 H new ATOM 1115 N THR A 74 8.996 5.756 -5.214 1.00 0.11 N ATOM 1116 CA THR A 74 7.961 5.855 -4.131 1.00 0.11 C ATOM 1117 C THR A 74 7.375 7.277 -4.179 1.00 0.12 C ATOM 1118 O THR A 74 8.056 8.187 -4.587 1.00 0.15 O ATOM 1119 CB THR A 74 8.638 5.649 -2.755 1.00 0.12 C ATOM 1120 OG1 THR A 74 9.451 6.771 -2.464 1.00 0.15 O ATOM 1121 CG2 THR A 74 9.508 4.396 -2.771 1.00 0.14 C ATOM 0 H THR A 74 9.692 6.501 -5.205 1.00 0.11 H new ATOM 0 HA THR A 74 7.186 5.102 -4.273 1.00 0.11 H new ATOM 0 HB THR A 74 7.865 5.535 -1.995 1.00 0.12 H new ATOM 0 HG1 THR A 74 9.881 6.646 -1.592 1.00 0.15 H new ATOM 0 HG21 THR A 74 9.977 4.266 -1.796 1.00 0.14 H new ATOM 0 HG22 THR A 74 8.890 3.527 -2.995 1.00 0.14 H new ATOM 0 HG23 THR A 74 10.280 4.499 -3.534 1.00 0.14 H new ATOM 1129 N PRO A 75 6.163 7.501 -3.714 1.00 0.13 N ATOM 1130 CA PRO A 75 5.263 6.429 -3.195 1.00 0.10 C ATOM 1131 C PRO A 75 4.632 5.580 -4.305 1.00 0.09 C ATOM 1132 O PRO A 75 4.203 6.083 -5.324 1.00 0.10 O ATOM 1133 CB PRO A 75 4.189 7.249 -2.461 1.00 0.12 C ATOM 1134 CG PRO A 75 4.221 8.671 -3.041 1.00 0.15 C ATOM 1135 CD PRO A 75 5.612 8.889 -3.659 1.00 0.16 C ATOM 0 HA PRO A 75 5.791 5.703 -2.577 1.00 0.10 H new ATOM 0 HB2 PRO A 75 3.205 6.801 -2.597 1.00 0.12 H new ATOM 0 HB3 PRO A 75 4.386 7.267 -1.389 1.00 0.12 H new ATOM 0 HG2 PRO A 75 3.443 8.795 -3.795 1.00 0.15 H new ATOM 0 HG3 PRO A 75 4.029 9.407 -2.261 1.00 0.15 H new ATOM 0 HD2 PRO A 75 5.550 9.340 -4.649 1.00 0.16 H new ATOM 0 HD3 PRO A 75 6.229 9.547 -3.047 1.00 0.16 H new ATOM 1143 N THR A 76 4.530 4.299 -4.072 1.00 0.09 N ATOM 1144 CA THR A 76 3.884 3.384 -5.058 1.00 0.09 C ATOM 1145 C THR A 76 2.795 2.615 -4.341 1.00 0.10 C ATOM 1146 O THR A 76 2.967 2.162 -3.225 1.00 0.12 O ATOM 1147 CB THR A 76 4.912 2.410 -5.631 1.00 0.10 C ATOM 1148 OG1 THR A 76 5.933 3.149 -6.276 1.00 0.11 O ATOM 1149 CG2 THR A 76 4.251 1.463 -6.637 1.00 0.13 C ATOM 0 H THR A 76 4.872 3.841 -3.227 1.00 0.09 H new ATOM 0 HA THR A 76 3.465 3.962 -5.882 1.00 0.09 H new ATOM 0 HB THR A 76 5.333 1.815 -4.821 1.00 0.10 H new ATOM 0 HG1 THR A 76 6.693 3.258 -5.667 1.00 0.11 H new ATOM 0 HG21 THR A 76 4.998 0.776 -7.035 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.464 0.895 -6.140 1.00 0.13 H new ATOM 0 HG23 THR A 76 3.820 2.043 -7.453 1.00 0.13 H new ATOM 1157 N PHE A 77 1.670 2.473 -4.972 1.00 0.10 N ATOM 1158 CA PHE A 77 0.538 1.733 -4.351 1.00 0.10 C ATOM 1159 C PHE A 77 0.266 0.496 -5.200 1.00 0.10 C ATOM 1160 O PHE A 77 0.150 0.584 -6.407 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.700 2.627 -4.344 1.00 0.13 C ATOM 1162 CG PHE A 77 -0.417 3.884 -3.550 1.00 0.14 C ATOM 1163 CD1 PHE A 77 -0.632 3.919 -2.163 1.00 0.18 C ATOM 1164 CD2 PHE A 77 0.054 5.027 -4.210 1.00 0.14 C ATOM 1165 CE1 PHE A 77 -0.382 5.098 -1.445 1.00 0.20 C ATOM 1166 CE2 PHE A 77 0.308 6.204 -3.491 1.00 0.16 C ATOM 1167 CZ PHE A 77 0.088 6.241 -2.108 1.00 0.19 C ATOM 0 H PHE A 77 1.481 2.842 -5.904 1.00 0.10 H new ATOM 0 HA PHE A 77 0.779 1.446 -3.327 1.00 0.10 H new ATOM 0 HB2 PHE A 77 -0.979 2.886 -5.365 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.544 2.092 -3.908 1.00 0.13 H new ATOM 0 HD1 PHE A 77 -0.990 3.039 -1.649 1.00 0.18 H new ATOM 0 HD2 PHE A 77 0.222 5.001 -5.277 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.552 5.126 -0.379 1.00 0.20 H new ATOM 0 HE2 PHE A 77 0.673 7.082 -4.003 1.00 0.16 H new ATOM 0 HZ PHE A 77 0.280 7.148 -1.554 1.00 0.19 H new ATOM 1177 N GLN A 78 0.156 -0.656 -4.589 1.00 0.09 N ATOM 1178 CA GLN A 78 -0.110 -1.901 -5.372 1.00 0.09 C ATOM 1179 C GLN A 78 -1.361 -2.561 -4.834 1.00 0.08 C ATOM 1180 O GLN A 78 -1.643 -2.524 -3.653 1.00 0.09 O ATOM 1181 CB GLN A 78 1.072 -2.862 -5.245 1.00 0.09 C ATOM 1182 CG GLN A 78 2.276 -2.281 -5.989 1.00 0.12 C ATOM 1183 CD GLN A 78 3.420 -3.295 -5.993 1.00 0.15 C ATOM 1184 OE1 GLN A 78 3.220 -4.454 -5.688 1.00 0.27 O ATOM 1185 NE2 GLN A 78 4.620 -2.905 -6.325 1.00 0.29 N ATOM 0 H GLN A 78 0.239 -0.789 -3.581 1.00 0.09 H new ATOM 0 HA GLN A 78 -0.246 -1.648 -6.423 1.00 0.09 H new ATOM 0 HB2 GLN A 78 1.319 -3.017 -4.195 1.00 0.09 H new ATOM 0 HB3 GLN A 78 0.810 -3.836 -5.658 1.00 0.09 H new ATOM 0 HG2 GLN A 78 1.996 -2.030 -7.012 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.599 -1.356 -5.511 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.787 -1.932 -6.581 1.00 0.29 H new ATOM 0 HE22 GLN A 78 5.391 -3.573 -6.329 1.00 0.29 H new ATOM 1194 N PHE A 79 -2.122 -3.154 -5.706 1.00 0.07 N ATOM 1195 CA PHE A 79 -3.390 -3.816 -5.286 1.00 0.07 C ATOM 1196 C PHE A 79 -3.255 -5.326 -5.355 1.00 0.07 C ATOM 1197 O PHE A 79 -2.810 -5.882 -6.340 1.00 0.08 O ATOM 1198 CB PHE A 79 -4.511 -3.362 -6.217 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.719 -1.884 -6.011 1.00 0.09 C ATOM 1200 CD1 PHE A 79 -3.818 -0.969 -6.569 1.00 0.08 C ATOM 1201 CD2 PHE A 79 -5.792 -1.428 -5.240 1.00 0.12 C ATOM 1202 CE1 PHE A 79 -3.994 0.402 -6.357 1.00 0.09 C ATOM 1203 CE2 PHE A 79 -5.965 -0.058 -5.025 1.00 0.14 C ATOM 1204 CZ PHE A 79 -5.067 0.858 -5.584 1.00 0.12 C ATOM 0 H PHE A 79 -1.919 -3.210 -6.704 1.00 0.07 H new ATOM 0 HA PHE A 79 -3.615 -3.538 -4.257 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.251 -3.569 -7.255 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.429 -3.909 -6.003 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.988 -1.322 -7.163 1.00 0.08 H new ATOM 0 HD2 PHE A 79 -6.487 -2.134 -4.811 1.00 0.12 H new ATOM 0 HE1 PHE A 79 -3.302 1.109 -6.790 1.00 0.09 H new ATOM 0 HE2 PHE A 79 -6.792 0.294 -4.427 1.00 0.14 H new ATOM 0 HZ PHE A 79 -5.202 1.917 -5.419 1.00 0.12 H new ATOM 1214 N PHE A 80 -3.673 -5.990 -4.311 1.00 0.08 N ATOM 1215 CA PHE A 80 -3.624 -7.475 -4.268 1.00 0.08 C ATOM 1216 C PHE A 80 -5.009 -7.998 -3.914 1.00 0.09 C ATOM 1217 O PHE A 80 -5.722 -7.413 -3.121 1.00 0.12 O ATOM 1218 CB PHE A 80 -2.631 -7.946 -3.207 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.219 -7.672 -3.660 1.00 0.10 C ATOM 1220 CD1 PHE A 80 -0.622 -6.432 -3.401 1.00 0.11 C ATOM 1221 CD2 PHE A 80 -0.498 -8.672 -4.326 1.00 0.12 C ATOM 1222 CE1 PHE A 80 0.694 -6.193 -3.807 1.00 0.13 C ATOM 1223 CE2 PHE A 80 0.822 -8.432 -4.728 1.00 0.14 C ATOM 1224 CZ PHE A 80 1.417 -7.192 -4.469 1.00 0.15 C ATOM 0 H PHE A 80 -4.053 -5.554 -3.471 1.00 0.08 H new ATOM 0 HA PHE A 80 -3.307 -7.851 -5.241 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.824 -7.434 -2.264 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -2.762 -9.012 -3.023 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.178 -5.661 -2.888 1.00 0.11 H new ATOM 0 HD2 PHE A 80 -0.960 -9.627 -4.529 1.00 0.12 H new ATOM 0 HE1 PHE A 80 1.154 -5.236 -3.610 1.00 0.13 H new ATOM 0 HE2 PHE A 80 1.380 -9.203 -5.238 1.00 0.14 H new ATOM 0 HZ PHE A 80 2.434 -7.006 -4.780 1.00 0.15 H new ATOM 1234 N LYS A 81 -5.399 -9.099 -4.489 1.00 0.09 N ATOM 1235 CA LYS A 81 -6.739 -9.667 -4.183 1.00 0.12 C ATOM 1236 C LYS A 81 -6.622 -11.187 -4.257 1.00 0.11 C ATOM 1237 O LYS A 81 -6.109 -11.721 -5.217 1.00 0.13 O ATOM 1238 CB LYS A 81 -7.736 -9.165 -5.231 1.00 0.17 C ATOM 1239 CG LYS A 81 -9.161 -9.357 -4.723 1.00 0.26 C ATOM 1240 CD LYS A 81 -10.153 -8.955 -5.815 1.00 0.73 C ATOM 1241 CE LYS A 81 -11.547 -8.836 -5.197 1.00 1.02 C ATOM 1242 NZ LYS A 81 -12.551 -8.533 -6.257 1.00 1.68 N ATOM 0 H LYS A 81 -4.846 -9.632 -5.160 1.00 0.09 H new ATOM 0 HA LYS A 81 -7.083 -9.365 -3.194 1.00 0.12 H new ATOM 0 HB2 LYS A 81 -7.555 -8.111 -5.443 1.00 0.17 H new ATOM 0 HB3 LYS A 81 -7.598 -9.707 -6.167 1.00 0.17 H new ATOM 0 HG2 LYS A 81 -9.319 -10.397 -4.439 1.00 0.26 H new ATOM 0 HG3 LYS A 81 -9.324 -8.754 -3.830 1.00 0.26 H new ATOM 0 HD2 LYS A 81 -9.857 -8.006 -6.263 1.00 0.73 H new ATOM 0 HD3 LYS A 81 -10.156 -9.697 -6.613 1.00 0.73 H new ATOM 0 HE2 LYS A 81 -11.810 -9.765 -4.691 1.00 1.02 H new ATOM 0 HE3 LYS A 81 -11.553 -8.049 -4.443 1.00 1.02 H new ATOM 0 HZ1 LYS A 81 -13.495 -8.454 -5.828 1.00 1.68 H new ATOM 0 HZ2 LYS A 81 -12.305 -7.636 -6.722 1.00 1.68 H new ATOM 0 HZ3 LYS A 81 -12.554 -9.298 -6.961 1.00 1.68 H new ATOM 1256 N LYS A 82 -7.056 -11.884 -3.245 1.00 0.12 N ATOM 1257 CA LYS A 82 -6.940 -13.372 -3.256 1.00 0.13 C ATOM 1258 C LYS A 82 -5.461 -13.742 -3.391 1.00 0.13 C ATOM 1259 O LYS A 82 -5.120 -14.777 -3.929 1.00 0.17 O ATOM 1260 CB LYS A 82 -7.731 -13.989 -4.423 1.00 0.16 C ATOM 1261 CG LYS A 82 -9.229 -13.721 -4.250 1.00 0.20 C ATOM 1262 CD LYS A 82 -10.025 -14.686 -5.137 1.00 0.32 C ATOM 1263 CE LYS A 82 -11.494 -14.256 -5.192 1.00 0.31 C ATOM 1264 NZ LYS A 82 -11.615 -12.977 -5.944 1.00 1.22 N ATOM 0 H LYS A 82 -7.487 -11.489 -2.409 1.00 0.12 H new ATOM 0 HA LYS A 82 -7.355 -13.764 -2.327 1.00 0.13 H new ATOM 0 HB2 LYS A 82 -7.386 -13.569 -5.368 1.00 0.16 H new ATOM 0 HB3 LYS A 82 -7.549 -15.063 -4.467 1.00 0.16 H new ATOM 0 HG2 LYS A 82 -9.514 -13.850 -3.206 1.00 0.20 H new ATOM 0 HG3 LYS A 82 -9.459 -12.690 -4.518 1.00 0.20 H new ATOM 0 HD2 LYS A 82 -9.604 -14.700 -6.142 1.00 0.32 H new ATOM 0 HD3 LYS A 82 -9.949 -15.700 -4.745 1.00 0.32 H new ATOM 0 HE2 LYS A 82 -12.092 -15.030 -5.674 1.00 0.31 H new ATOM 0 HE3 LYS A 82 -11.885 -14.134 -4.182 1.00 0.31 H new ATOM 0 HZ1 LYS A 82 -12.586 -12.875 -6.302 1.00 1.22 H new ATOM 0 HZ2 LYS A 82 -11.394 -12.181 -5.313 1.00 1.22 H new ATOM 0 HZ3 LYS A 82 -10.950 -12.980 -6.743 1.00 1.22 H new ATOM 1278 N GLY A 83 -4.581 -12.900 -2.922 1.00 0.13 N ATOM 1279 CA GLY A 83 -3.127 -13.202 -3.028 1.00 0.16 C ATOM 1280 C GLY A 83 -2.653 -12.961 -4.460 1.00 0.16 C ATOM 1281 O GLY A 83 -1.621 -13.457 -4.864 1.00 0.23 O ATOM 0 H GLY A 83 -4.808 -12.015 -2.469 1.00 0.13 H new ATOM 0 HA2 GLY A 83 -2.564 -12.573 -2.338 1.00 0.16 H new ATOM 0 HA3 GLY A 83 -2.939 -14.237 -2.742 1.00 0.16 H new ATOM 1285 N GLN A 84 -3.399 -12.207 -5.235 1.00 0.12 N ATOM 1286 CA GLN A 84 -3.000 -11.934 -6.656 1.00 0.15 C ATOM 1287 C GLN A 84 -2.901 -10.431 -6.917 1.00 0.12 C ATOM 1288 O GLN A 84 -3.731 -9.669 -6.488 1.00 0.13 O ATOM 1289 CB GLN A 84 -4.052 -12.525 -7.602 1.00 0.20 C ATOM 1290 CG GLN A 84 -3.978 -14.053 -7.588 1.00 0.33 C ATOM 1291 CD GLN A 84 -2.722 -14.502 -8.335 1.00 0.97 C ATOM 1292 OE1 GLN A 84 -2.458 -15.682 -8.454 1.00 0.95 O ATOM 1293 NE2 GLN A 84 -1.933 -13.601 -8.850 1.00 2.07 N ATOM 0 H GLN A 84 -4.272 -11.767 -4.943 1.00 0.12 H new ATOM 0 HA GLN A 84 -2.026 -12.391 -6.831 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -5.047 -12.199 -7.300 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -3.890 -12.155 -8.614 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -3.955 -14.419 -6.561 1.00 0.33 H new ATOM 0 HG3 GLN A 84 -4.866 -14.476 -8.058 1.00 0.33 H new ATOM 0 HE21 GLN A 84 -2.156 -12.611 -8.749 1.00 2.07 H new ATOM 0 HE22 GLN A 84 -1.093 -13.886 -9.353 1.00 2.07 H new ATOM 1302 N LYS A 85 -1.909 -10.017 -7.663 1.00 0.12 N ATOM 1303 CA LYS A 85 -1.756 -8.564 -7.987 1.00 0.12 C ATOM 1304 C LYS A 85 -2.714 -8.208 -9.125 1.00 0.14 C ATOM 1305 O LYS A 85 -2.678 -8.810 -10.181 1.00 0.21 O ATOM 1306 CB LYS A 85 -0.315 -8.311 -8.438 1.00 0.17 C ATOM 1307 CG LYS A 85 -0.089 -6.810 -8.620 1.00 0.20 C ATOM 1308 CD LYS A 85 1.332 -6.573 -9.137 1.00 0.28 C ATOM 1309 CE LYS A 85 1.585 -5.072 -9.275 1.00 1.28 C ATOM 1310 NZ LYS A 85 2.967 -4.848 -9.787 1.00 1.82 N ATOM 0 H LYS A 85 -1.195 -10.625 -8.064 1.00 0.12 H new ATOM 0 HA LYS A 85 -1.982 -7.954 -7.112 1.00 0.12 H new ATOM 0 HB2 LYS A 85 0.382 -8.707 -7.700 1.00 0.17 H new ATOM 0 HB3 LYS A 85 -0.119 -8.834 -9.374 1.00 0.17 H new ATOM 0 HG2 LYS A 85 -0.817 -6.403 -9.322 1.00 0.20 H new ATOM 0 HG3 LYS A 85 -0.235 -6.291 -7.673 1.00 0.20 H new ATOM 0 HD2 LYS A 85 2.057 -7.012 -8.452 1.00 0.28 H new ATOM 0 HD3 LYS A 85 1.466 -7.064 -10.101 1.00 0.28 H new ATOM 0 HE2 LYS A 85 0.857 -4.630 -9.956 1.00 1.28 H new ATOM 0 HE3 LYS A 85 1.459 -4.580 -8.310 1.00 1.28 H new ATOM 0 HZ1 LYS A 85 3.141 -3.827 -9.882 1.00 1.82 H new ATOM 0 HZ2 LYS A 85 3.654 -5.256 -9.122 1.00 1.82 H new ATOM 0 HZ3 LYS A 85 3.071 -5.304 -10.716 1.00 1.82 H new ATOM 1324 N VAL A 86 -3.583 -7.241 -8.913 1.00 0.13 N ATOM 1325 CA VAL A 86 -4.565 -6.844 -9.976 1.00 0.18 C ATOM 1326 C VAL A 86 -4.438 -5.355 -10.317 1.00 0.17 C ATOM 1327 O VAL A 86 -5.259 -4.814 -11.033 1.00 0.22 O ATOM 1328 CB VAL A 86 -5.988 -7.120 -9.487 1.00 0.25 C ATOM 1329 CG1 VAL A 86 -6.209 -8.630 -9.387 1.00 0.30 C ATOM 1330 CG2 VAL A 86 -6.196 -6.477 -8.111 1.00 0.26 C ATOM 0 H VAL A 86 -3.653 -6.709 -8.045 1.00 0.13 H new ATOM 0 HA VAL A 86 -4.351 -7.429 -10.871 1.00 0.18 H new ATOM 0 HB VAL A 86 -6.701 -6.695 -10.193 1.00 0.25 H new ATOM 0 HG11 VAL A 86 -7.223 -8.827 -9.039 1.00 0.30 H new ATOM 0 HG12 VAL A 86 -6.068 -9.084 -10.368 1.00 0.30 H new ATOM 0 HG13 VAL A 86 -5.494 -9.057 -8.683 1.00 0.30 H new ATOM 0 HG21 VAL A 86 -7.211 -6.676 -7.766 1.00 0.26 H new ATOM 0 HG22 VAL A 86 -5.483 -6.897 -7.402 1.00 0.26 H new ATOM 0 HG23 VAL A 86 -6.043 -5.400 -8.186 1.00 0.26 H new ATOM 1340 N GLY A 87 -3.434 -4.675 -9.831 1.00 0.14 N ATOM 1341 CA GLY A 87 -3.314 -3.222 -10.173 1.00 0.17 C ATOM 1342 C GLY A 87 -2.038 -2.621 -9.572 1.00 0.12 C ATOM 1343 O GLY A 87 -1.456 -3.159 -8.651 1.00 0.17 O ATOM 0 H GLY A 87 -2.704 -5.050 -9.224 1.00 0.14 H new ATOM 0 HA2 GLY A 87 -3.303 -3.099 -11.256 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.185 -2.683 -9.800 1.00 0.17 H new ATOM 1347 N GLU A 88 -1.602 -1.504 -10.102 1.00 0.11 N ATOM 1348 CA GLU A 88 -0.363 -0.846 -9.586 1.00 0.13 C ATOM 1349 C GLU A 88 -0.238 0.559 -10.187 1.00 0.11 C ATOM 1350 O GLU A 88 -0.621 0.799 -11.314 1.00 0.14 O ATOM 1351 CB GLU A 88 0.842 -1.744 -9.976 1.00 0.21 C ATOM 1352 CG GLU A 88 2.153 -0.959 -10.167 1.00 0.58 C ATOM 1353 CD GLU A 88 2.589 -0.306 -8.860 1.00 1.13 C ATOM 1354 OE1 GLU A 88 1.733 0.025 -8.062 1.00 1.87 O ATOM 1355 OE2 GLU A 88 3.780 -0.150 -8.685 1.00 1.93 O ATOM 0 H GLU A 88 -2.055 -1.017 -10.875 1.00 0.11 H new ATOM 0 HA GLU A 88 -0.395 -0.734 -8.502 1.00 0.13 H new ATOM 0 HB2 GLU A 88 0.988 -2.499 -9.203 1.00 0.21 H new ATOM 0 HB3 GLU A 88 0.607 -2.274 -10.899 1.00 0.21 H new ATOM 0 HG2 GLU A 88 2.935 -1.630 -10.522 1.00 0.58 H new ATOM 0 HG3 GLU A 88 2.016 -0.195 -10.932 1.00 0.58 H new ATOM 1362 N PHE A 89 0.330 1.477 -9.449 1.00 0.10 N ATOM 1363 CA PHE A 89 0.526 2.857 -9.990 1.00 0.09 C ATOM 1364 C PHE A 89 1.450 3.654 -9.064 1.00 0.10 C ATOM 1365 O PHE A 89 1.601 3.340 -7.900 1.00 0.10 O ATOM 1366 CB PHE A 89 -0.826 3.566 -10.171 1.00 0.11 C ATOM 1367 CG PHE A 89 -1.370 4.105 -8.860 1.00 0.10 C ATOM 1368 CD1 PHE A 89 -0.848 5.285 -8.320 1.00 0.11 C ATOM 1369 CD2 PHE A 89 -2.419 3.443 -8.209 1.00 0.12 C ATOM 1370 CE1 PHE A 89 -1.379 5.810 -7.132 1.00 0.13 C ATOM 1371 CE2 PHE A 89 -2.944 3.961 -7.016 1.00 0.13 C ATOM 1372 CZ PHE A 89 -2.428 5.147 -6.478 1.00 0.14 C ATOM 0 H PHE A 89 0.666 1.332 -8.497 1.00 0.10 H new ATOM 0 HA PHE A 89 0.997 2.789 -10.971 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.712 4.386 -10.880 1.00 0.11 H new ATOM 0 HB3 PHE A 89 -1.545 2.869 -10.602 1.00 0.11 H new ATOM 0 HD1 PHE A 89 -0.035 5.793 -8.818 1.00 0.11 H new ATOM 0 HD2 PHE A 89 -2.824 2.533 -8.626 1.00 0.12 H new ATOM 0 HE1 PHE A 89 -0.980 6.725 -6.721 1.00 0.13 H new ATOM 0 HE2 PHE A 89 -3.747 3.445 -6.511 1.00 0.13 H new ATOM 0 HZ PHE A 89 -2.836 5.550 -5.563 1.00 0.14 H new ATOM 1382 N SER A 90 2.082 4.679 -9.588 1.00 0.10 N ATOM 1383 CA SER A 90 3.014 5.519 -8.767 1.00 0.10 C ATOM 1384 C SER A 90 2.641 6.988 -8.918 1.00 0.09 C ATOM 1385 O SER A 90 1.984 7.378 -9.860 1.00 0.11 O ATOM 1386 CB SER A 90 4.455 5.333 -9.240 1.00 0.11 C ATOM 1387 OG SER A 90 4.558 5.718 -10.605 1.00 0.12 O ATOM 0 H SER A 90 1.991 4.972 -10.561 1.00 0.10 H new ATOM 0 HA SER A 90 2.931 5.211 -7.725 1.00 0.10 H new ATOM 0 HB2 SER A 90 5.130 5.933 -8.630 1.00 0.11 H new ATOM 0 HB3 SER A 90 4.757 4.293 -9.120 1.00 0.11 H new ATOM 0 HG SER A 90 5.482 5.601 -10.909 1.00 0.12 H new ATOM 1393 N GLY A 91 3.070 7.803 -7.989 1.00 0.09 N ATOM 1394 CA GLY A 91 2.763 9.265 -8.054 1.00 0.09 C ATOM 1395 C GLY A 91 2.048 9.689 -6.771 1.00 0.10 C ATOM 1396 O GLY A 91 1.258 8.949 -6.219 1.00 0.12 O ATOM 0 H GLY A 91 3.624 7.517 -7.182 1.00 0.09 H new ATOM 0 HA2 GLY A 91 3.683 9.836 -8.177 1.00 0.09 H new ATOM 0 HA3 GLY A 91 2.137 9.479 -8.920 1.00 0.09 H new ATOM 1400 N ALA A 92 2.319 10.870 -6.283 1.00 0.11 N ATOM 1401 CA ALA A 92 1.654 11.324 -5.029 1.00 0.14 C ATOM 1402 C ALA A 92 0.209 11.760 -5.322 1.00 0.13 C ATOM 1403 O ALA A 92 -0.133 12.919 -5.202 1.00 0.17 O ATOM 1404 CB ALA A 92 2.445 12.507 -4.461 1.00 0.18 C ATOM 0 H ALA A 92 2.970 11.537 -6.697 1.00 0.11 H new ATOM 0 HA ALA A 92 1.629 10.506 -4.309 1.00 0.14 H new ATOM 0 HB1 ALA A 92 1.972 12.853 -3.542 1.00 0.18 H new ATOM 0 HB2 ALA A 92 3.467 12.193 -4.248 1.00 0.18 H new ATOM 0 HB3 ALA A 92 2.460 13.318 -5.189 1.00 0.18 H new ATOM 1410 N ASN A 93 -0.644 10.826 -5.683 1.00 0.12 N ATOM 1411 CA ASN A 93 -2.082 11.151 -5.965 1.00 0.14 C ATOM 1412 C ASN A 93 -2.973 10.338 -5.016 1.00 0.13 C ATOM 1413 O ASN A 93 -3.288 9.193 -5.276 1.00 0.14 O ATOM 1414 CB ASN A 93 -2.412 10.785 -7.414 1.00 0.16 C ATOM 1415 CG ASN A 93 -3.790 11.340 -7.786 1.00 0.20 C ATOM 1416 OD1 ASN A 93 -4.274 11.113 -8.877 1.00 0.88 O ATOM 1417 ND2 ASN A 93 -4.458 12.045 -6.914 1.00 0.75 N ATOM 0 H ASN A 93 -0.401 9.842 -5.795 1.00 0.12 H new ATOM 0 HA ASN A 93 -2.257 12.216 -5.813 1.00 0.14 H new ATOM 0 HB2 ASN A 93 -1.653 11.190 -8.083 1.00 0.16 H new ATOM 0 HB3 ASN A 93 -2.400 9.702 -7.537 1.00 0.16 H new ATOM 0 HD21 ASN A 93 -5.383 12.403 -7.149 1.00 0.75 H new ATOM 0 HD22 ASN A 93 -4.055 12.237 -5.997 1.00 0.75 H new ATOM 1424 N LYS A 94 -3.370 10.913 -3.916 1.00 0.14 N ATOM 1425 CA LYS A 94 -4.232 10.173 -2.941 1.00 0.15 C ATOM 1426 C LYS A 94 -5.643 9.937 -3.497 1.00 0.15 C ATOM 1427 O LYS A 94 -6.273 8.942 -3.196 1.00 0.15 O ATOM 1428 CB LYS A 94 -4.323 10.998 -1.658 1.00 0.18 C ATOM 1429 CG LYS A 94 -4.778 12.452 -1.971 1.00 0.18 C ATOM 1430 CD LYS A 94 -3.634 13.445 -1.717 1.00 0.24 C ATOM 1431 CE LYS A 94 -4.197 14.865 -1.759 1.00 0.59 C ATOM 1432 NZ LYS A 94 -3.112 15.852 -1.486 1.00 1.06 N ATOM 0 H LYS A 94 -3.136 11.868 -3.645 1.00 0.14 H new ATOM 0 HA LYS A 94 -3.785 9.198 -2.748 1.00 0.15 H new ATOM 0 HB2 LYS A 94 -5.027 10.532 -0.969 1.00 0.18 H new ATOM 0 HB3 LYS A 94 -3.353 11.014 -1.160 1.00 0.18 H new ATOM 0 HG2 LYS A 94 -5.103 12.521 -3.009 1.00 0.18 H new ATOM 0 HG3 LYS A 94 -5.636 12.711 -1.351 1.00 0.18 H new ATOM 0 HD2 LYS A 94 -3.173 13.250 -0.749 1.00 0.24 H new ATOM 0 HD3 LYS A 94 -2.856 13.325 -2.471 1.00 0.24 H new ATOM 0 HE2 LYS A 94 -4.641 15.060 -2.735 1.00 0.59 H new ATOM 0 HE3 LYS A 94 -4.992 14.972 -1.021 1.00 0.59 H new ATOM 0 HZ1 LYS A 94 -3.503 16.815 -1.516 1.00 1.06 H new ATOM 0 HZ2 LYS A 94 -2.708 15.672 -0.545 1.00 1.06 H new ATOM 0 HZ3 LYS A 94 -2.368 15.758 -2.206 1.00 1.06 H new ATOM 1446 N GLU A 95 -6.148 10.830 -4.300 1.00 0.15 N ATOM 1447 CA GLU A 95 -7.516 10.639 -4.856 1.00 0.15 C ATOM 1448 C GLU A 95 -7.532 9.411 -5.766 1.00 0.15 C ATOM 1449 O GLU A 95 -8.533 8.743 -5.920 1.00 0.16 O ATOM 1450 CB GLU A 95 -7.901 11.876 -5.664 1.00 0.17 C ATOM 1451 CG GLU A 95 -7.923 13.100 -4.748 1.00 0.19 C ATOM 1452 CD GLU A 95 -9.060 12.959 -3.734 1.00 0.86 C ATOM 1453 OE1 GLU A 95 -10.035 12.300 -4.056 1.00 1.55 O ATOM 1454 OE2 GLU A 95 -8.936 13.510 -2.653 1.00 1.61 O ATOM 0 H GLU A 95 -5.673 11.683 -4.595 1.00 0.15 H new ATOM 0 HA GLU A 95 -8.227 10.493 -4.043 1.00 0.15 H new ATOM 0 HB2 GLU A 95 -7.189 12.029 -6.475 1.00 0.17 H new ATOM 0 HB3 GLU A 95 -8.880 11.734 -6.122 1.00 0.17 H new ATOM 0 HG2 GLU A 95 -6.969 13.196 -4.229 1.00 0.19 H new ATOM 0 HG3 GLU A 95 -8.058 14.006 -5.338 1.00 0.19 H new ATOM 1461 N LYS A 96 -6.420 9.128 -6.374 1.00 0.14 N ATOM 1462 CA LYS A 96 -6.317 7.968 -7.297 1.00 0.15 C ATOM 1463 C LYS A 96 -6.629 6.686 -6.533 1.00 0.14 C ATOM 1464 O LYS A 96 -7.228 5.768 -7.054 1.00 0.15 O ATOM 1465 CB LYS A 96 -4.886 7.929 -7.813 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.742 6.919 -8.951 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.457 7.219 -9.726 1.00 0.25 C ATOM 1468 CE LYS A 96 -3.320 6.218 -10.871 1.00 0.82 C ATOM 1469 NZ LYS A 96 -4.465 6.384 -11.811 1.00 1.45 N ATOM 0 H LYS A 96 -5.558 9.663 -6.268 1.00 0.14 H new ATOM 0 HA LYS A 96 -7.021 8.059 -8.124 1.00 0.15 H new ATOM 0 HB2 LYS A 96 -4.594 8.920 -8.162 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -4.209 7.665 -7.000 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.713 5.905 -8.552 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.604 6.976 -9.616 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.482 8.236 -10.117 1.00 0.25 H new ATOM 0 HD3 LYS A 96 -2.594 7.153 -9.063 1.00 0.25 H new ATOM 0 HE2 LYS A 96 -2.378 6.376 -11.396 1.00 0.82 H new ATOM 0 HE3 LYS A 96 -3.301 5.201 -10.480 1.00 0.82 H new ATOM 0 HZ1 LYS A 96 -4.226 5.956 -12.728 1.00 1.45 H new ATOM 0 HZ2 LYS A 96 -5.307 5.915 -11.419 1.00 1.45 H new ATOM 0 HZ3 LYS A 96 -4.663 7.397 -11.942 1.00 1.45 H new ATOM 1483 N LEU A 97 -6.238 6.625 -5.298 1.00 0.13 N ATOM 1484 CA LEU A 97 -6.522 5.413 -4.492 1.00 0.13 C ATOM 1485 C LEU A 97 -8.026 5.203 -4.441 1.00 0.14 C ATOM 1486 O LEU A 97 -8.524 4.099 -4.491 1.00 0.15 O ATOM 1487 CB LEU A 97 -6.056 5.650 -3.054 1.00 0.13 C ATOM 1488 CG LEU A 97 -4.536 5.564 -2.947 1.00 0.14 C ATOM 1489 CD1 LEU A 97 -4.125 6.058 -1.554 1.00 0.19 C ATOM 1490 CD2 LEU A 97 -4.069 4.109 -3.142 1.00 0.19 C ATOM 0 H LEU A 97 -5.732 7.364 -4.809 1.00 0.13 H new ATOM 0 HA LEU A 97 -6.014 4.556 -4.934 1.00 0.13 H new ATOM 0 HB2 LEU A 97 -6.392 6.630 -2.716 1.00 0.13 H new ATOM 0 HB3 LEU A 97 -6.512 4.912 -2.394 1.00 0.13 H new ATOM 0 HG LEU A 97 -4.074 6.179 -3.720 1.00 0.14 H new ATOM 0 HD11 LEU A 97 -3.041 6.005 -1.455 1.00 0.19 H new ATOM 0 HD12 LEU A 97 -4.452 7.090 -1.423 1.00 0.19 H new ATOM 0 HD13 LEU A 97 -4.590 5.431 -0.794 1.00 0.19 H new ATOM 0 HD21 LEU A 97 -2.983 4.062 -3.063 1.00 0.19 H new ATOM 0 HD22 LEU A 97 -4.516 3.477 -2.374 1.00 0.19 H new ATOM 0 HD23 LEU A 97 -4.377 3.757 -4.126 1.00 0.19 H new ATOM 1502 N GLU A 98 -8.738 6.268 -4.309 1.00 0.14 N ATOM 1503 CA GLU A 98 -10.219 6.167 -4.198 1.00 0.15 C ATOM 1504 C GLU A 98 -10.822 5.560 -5.463 1.00 0.16 C ATOM 1505 O GLU A 98 -11.709 4.734 -5.401 1.00 0.18 O ATOM 1506 CB GLU A 98 -10.796 7.564 -3.981 1.00 0.18 C ATOM 1507 CG GLU A 98 -12.298 7.477 -3.690 1.00 0.21 C ATOM 1508 CD GLU A 98 -12.524 6.784 -2.348 1.00 1.28 C ATOM 1509 OE1 GLU A 98 -12.538 7.475 -1.340 1.00 2.10 O ATOM 1510 OE2 GLU A 98 -12.680 5.575 -2.349 1.00 2.00 O ATOM 0 H GLU A 98 -8.364 7.216 -4.272 1.00 0.14 H new ATOM 0 HA GLU A 98 -10.465 5.519 -3.356 1.00 0.15 H new ATOM 0 HB2 GLU A 98 -10.285 8.051 -3.151 1.00 0.18 H new ATOM 0 HB3 GLU A 98 -10.624 8.178 -4.865 1.00 0.18 H new ATOM 0 HG2 GLU A 98 -12.733 8.476 -3.672 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -12.801 6.925 -4.484 1.00 0.21 H new ATOM 1517 N ALA A 99 -10.375 5.978 -6.607 1.00 0.16 N ATOM 1518 CA ALA A 99 -10.963 5.432 -7.859 1.00 0.17 C ATOM 1519 C ALA A 99 -10.581 3.959 -8.053 1.00 0.16 C ATOM 1520 O ALA A 99 -11.399 3.152 -8.447 1.00 0.17 O ATOM 1521 CB ALA A 99 -10.492 6.258 -9.060 1.00 0.19 C ATOM 0 H ALA A 99 -9.634 6.668 -6.733 1.00 0.16 H new ATOM 0 HA ALA A 99 -12.048 5.493 -7.781 1.00 0.17 H new ATOM 0 HB1 ALA A 99 -10.927 5.852 -9.974 1.00 0.19 H new ATOM 0 HB2 ALA A 99 -10.809 7.294 -8.936 1.00 0.19 H new ATOM 0 HB3 ALA A 99 -9.405 6.217 -9.126 1.00 0.19 H new ATOM 1527 N THR A 100 -9.349 3.600 -7.813 1.00 0.16 N ATOM 1528 CA THR A 100 -8.945 2.176 -8.029 1.00 0.16 C ATOM 1529 C THR A 100 -9.690 1.262 -7.051 1.00 0.15 C ATOM 1530 O THR A 100 -10.116 0.180 -7.403 1.00 0.15 O ATOM 1531 CB THR A 100 -7.443 2.010 -7.803 1.00 0.17 C ATOM 1532 OG1 THR A 100 -6.736 2.996 -8.540 1.00 0.19 O ATOM 1533 CG2 THR A 100 -7.019 0.619 -8.288 1.00 0.20 C ATOM 0 H THR A 100 -8.611 4.221 -7.481 1.00 0.16 H new ATOM 0 HA THR A 100 -9.195 1.904 -9.055 1.00 0.16 H new ATOM 0 HB THR A 100 -7.218 2.122 -6.742 1.00 0.17 H new ATOM 0 HG1 THR A 100 -6.767 3.849 -8.059 1.00 0.19 H new ATOM 0 HG21 THR A 100 -5.948 0.490 -8.131 1.00 0.20 H new ATOM 0 HG22 THR A 100 -7.562 -0.143 -7.728 1.00 0.20 H new ATOM 0 HG23 THR A 100 -7.245 0.519 -9.350 1.00 0.20 H new ATOM 1541 N ILE A 101 -9.850 1.686 -5.827 1.00 0.14 N ATOM 1542 CA ILE A 101 -10.569 0.836 -4.829 1.00 0.13 C ATOM 1543 C ILE A 101 -11.993 0.613 -5.321 1.00 0.14 C ATOM 1544 O ILE A 101 -12.480 -0.497 -5.374 1.00 0.14 O ATOM 1545 CB ILE A 101 -10.595 1.558 -3.473 1.00 0.14 C ATOM 1546 CG1 ILE A 101 -9.181 1.591 -2.875 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -11.531 0.830 -2.505 1.00 0.15 C ATOM 1548 CD1 ILE A 101 -9.121 2.652 -1.775 1.00 0.16 C ATOM 0 H ILE A 101 -9.515 2.582 -5.473 1.00 0.14 H new ATOM 0 HA ILE A 101 -10.063 -0.122 -4.713 1.00 0.13 H new ATOM 0 HB ILE A 101 -10.954 2.576 -3.626 1.00 0.14 H new ATOM 0 HG12 ILE A 101 -8.923 0.613 -2.467 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -8.450 1.815 -3.652 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -11.541 1.351 -1.548 1.00 0.15 H new ATOM 0 HG22 ILE A 101 -12.539 0.811 -2.919 1.00 0.15 H new ATOM 0 HG23 ILE A 101 -11.180 -0.192 -2.359 1.00 0.15 H new ATOM 0 HD11 ILE A 101 -8.118 2.678 -1.349 1.00 0.16 H new ATOM 0 HD12 ILE A 101 -9.361 3.628 -2.197 1.00 0.16 H new ATOM 0 HD13 ILE A 101 -9.841 2.408 -0.994 1.00 0.16 H new ATOM 1560 N ASN A 102 -12.652 1.675 -5.698 1.00 0.17 N ATOM 1561 CA ASN A 102 -14.044 1.572 -6.220 1.00 0.20 C ATOM 1562 C ASN A 102 -14.033 0.699 -7.467 1.00 0.19 C ATOM 1563 O ASN A 102 -14.966 -0.022 -7.759 1.00 0.20 O ATOM 1564 CB ASN A 102 -14.555 2.973 -6.579 1.00 0.25 C ATOM 1565 CG ASN A 102 -16.018 2.907 -7.028 1.00 0.31 C ATOM 1566 OD1 ASN A 102 -16.344 2.243 -7.991 1.00 0.95 O ATOM 1567 ND2 ASN A 102 -16.914 3.596 -6.375 1.00 0.55 N ATOM 0 H ASN A 102 -12.279 2.624 -5.666 1.00 0.17 H new ATOM 0 HA ASN A 102 -14.697 1.133 -5.466 1.00 0.20 H new ATOM 0 HB2 ASN A 102 -14.462 3.633 -5.717 1.00 0.25 H new ATOM 0 HB3 ASN A 102 -13.942 3.398 -7.374 1.00 0.25 H new ATOM 0 HD21 ASN A 102 -17.889 3.577 -6.673 1.00 0.55 H new ATOM 0 HD22 ASN A 102 -16.639 4.153 -5.566 1.00 0.55 H new ATOM 1574 N GLU A 103 -12.987 0.791 -8.226 1.00 0.18 N ATOM 1575 CA GLU A 103 -12.902 0.007 -9.476 1.00 0.18 C ATOM 1576 C GLU A 103 -12.788 -1.488 -9.152 1.00 0.16 C ATOM 1577 O GLU A 103 -13.371 -2.321 -9.819 1.00 0.18 O ATOM 1578 CB GLU A 103 -11.644 0.465 -10.220 1.00 0.19 C ATOM 1579 CG GLU A 103 -11.642 -0.089 -11.646 1.00 0.21 C ATOM 1580 CD GLU A 103 -11.356 -1.589 -11.611 1.00 1.34 C ATOM 1581 OE1 GLU A 103 -10.237 -1.948 -11.288 1.00 2.21 O ATOM 1582 OE2 GLU A 103 -12.260 -2.352 -11.907 1.00 2.04 O ATOM 0 H GLU A 103 -12.179 1.382 -8.031 1.00 0.18 H new ATOM 0 HA GLU A 103 -13.794 0.161 -10.084 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.604 1.554 -10.245 1.00 0.19 H new ATOM 0 HB3 GLU A 103 -10.755 0.125 -9.689 1.00 0.19 H new ATOM 0 HG2 GLU A 103 -12.605 0.097 -12.121 1.00 0.21 H new ATOM 0 HG3 GLU A 103 -10.888 0.422 -12.245 1.00 0.21 H new ATOM 1589 N LEU A 104 -12.028 -1.837 -8.140 1.00 0.14 N ATOM 1590 CA LEU A 104 -11.854 -3.284 -7.783 1.00 0.14 C ATOM 1591 C LEU A 104 -12.745 -3.689 -6.596 1.00 0.13 C ATOM 1592 O LEU A 104 -12.774 -4.845 -6.218 1.00 0.15 O ATOM 1593 CB LEU A 104 -10.393 -3.539 -7.389 1.00 0.14 C ATOM 1594 CG LEU A 104 -9.440 -3.232 -8.558 1.00 0.16 C ATOM 1595 CD1 LEU A 104 -7.996 -3.289 -8.047 1.00 0.17 C ATOM 1596 CD2 LEU A 104 -9.618 -4.270 -9.680 1.00 0.25 C ATOM 0 H LEU A 104 -11.520 -1.182 -7.545 1.00 0.14 H new ATOM 0 HA LEU A 104 -12.137 -3.874 -8.655 1.00 0.14 H new ATOM 0 HB2 LEU A 104 -10.132 -2.920 -6.531 1.00 0.14 H new ATOM 0 HB3 LEU A 104 -10.272 -4.578 -7.081 1.00 0.14 H new ATOM 0 HG LEU A 104 -9.665 -2.242 -8.953 1.00 0.16 H new ATOM 0 HD11 LEU A 104 -7.311 -3.073 -8.867 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -7.860 -2.551 -7.257 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -7.788 -4.284 -7.653 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -8.938 -4.040 -10.500 1.00 0.25 H new ATOM 0 HD22 LEU A 104 -9.397 -5.265 -9.294 1.00 0.25 H new ATOM 0 HD23 LEU A 104 -10.646 -4.241 -10.042 1.00 0.25 H new ATOM 1608 N VAL A 105 -13.455 -2.778 -5.982 1.00 0.14 N ATOM 1609 CA VAL A 105 -14.296 -3.191 -4.817 1.00 0.15 C ATOM 1610 C VAL A 105 -15.379 -4.162 -5.301 1.00 0.16 C ATOM 1611 O VAL A 105 -15.545 -5.195 -4.672 1.00 1.08 O ATOM 1612 CB VAL A 105 -14.956 -1.966 -4.166 1.00 0.17 C ATOM 1613 CG1 VAL A 105 -16.065 -1.416 -5.071 1.00 0.21 C ATOM 1614 CG2 VAL A 105 -15.554 -2.372 -2.814 1.00 0.19 C ATOM 1615 OXT VAL A 105 -16.016 -3.861 -6.297 1.00 1.08 O ATOM 0 H VAL A 105 -13.491 -1.789 -6.228 1.00 0.14 H new ATOM 0 HA VAL A 105 -13.662 -3.677 -4.075 1.00 0.15 H new ATOM 0 HB VAL A 105 -14.203 -1.191 -4.021 1.00 0.17 H new ATOM 0 HG11 VAL A 105 -16.524 -0.548 -4.597 1.00 0.21 H new ATOM 0 HG12 VAL A 105 -15.640 -1.123 -6.031 1.00 0.21 H new ATOM 0 HG13 VAL A 105 -16.821 -2.185 -5.229 1.00 0.21 H new ATOM 0 HG21 VAL A 105 -16.023 -1.505 -2.349 1.00 0.19 H new ATOM 0 HG22 VAL A 105 -16.301 -3.151 -2.966 1.00 0.19 H new ATOM 0 HG23 VAL A 105 -14.763 -2.749 -2.165 1.00 0.19 H new ATOM 1683 N LYS B 63 7.038 15.050 -5.913 1.00 0.19 N ATOM 1684 CA LYS B 63 5.872 14.121 -5.972 1.00 0.14 C ATOM 1685 C LYS B 63 6.386 12.674 -5.903 1.00 0.12 C ATOM 1686 O LYS B 63 5.647 11.763 -5.575 1.00 0.12 O ATOM 1687 CB LYS B 63 5.126 14.337 -7.300 1.00 0.17 C ATOM 1688 CG LYS B 63 4.598 15.783 -7.409 1.00 0.20 C ATOM 1689 CD LYS B 63 3.689 16.136 -6.223 1.00 0.40 C ATOM 1690 CE LYS B 63 2.870 17.387 -6.559 1.00 0.35 C ATOM 1691 NZ LYS B 63 2.010 17.750 -5.395 1.00 1.31 N ATOM 0 HA LYS B 63 5.196 14.312 -5.138 1.00 0.14 H new ATOM 0 HB2 LYS B 63 5.794 14.126 -8.135 1.00 0.17 H new ATOM 0 HB3 LYS B 63 4.294 13.636 -7.372 1.00 0.17 H new ATOM 0 HG2 LYS B 63 5.438 16.477 -7.446 1.00 0.20 H new ATOM 0 HG3 LYS B 63 4.046 15.901 -8.341 1.00 0.20 H new ATOM 0 HD2 LYS B 63 3.023 15.302 -6.001 1.00 0.40 H new ATOM 0 HD3 LYS B 63 4.290 16.311 -5.330 1.00 0.40 H new ATOM 0 HE2 LYS B 63 3.536 18.215 -6.804 1.00 0.35 H new ATOM 0 HE3 LYS B 63 2.252 17.204 -7.438 1.00 0.35 H new ATOM 0 HZ1 LYS B 63 1.455 18.599 -5.625 1.00 1.31 H new ATOM 0 HZ2 LYS B 63 1.365 16.963 -5.181 1.00 1.31 H new ATOM 0 HZ3 LYS B 63 2.609 17.942 -4.567 1.00 1.31 H new ATOM 1705 N ILE B 64 7.643 12.465 -6.235 1.00 0.11 N ATOM 1706 CA ILE B 64 8.250 11.081 -6.205 1.00 0.11 C ATOM 1707 C ILE B 64 9.604 11.118 -5.457 1.00 0.10 C ATOM 1708 O ILE B 64 10.347 12.071 -5.570 1.00 0.11 O ATOM 1709 CB ILE B 64 8.491 10.607 -7.651 1.00 0.12 C ATOM 1710 CG1 ILE B 64 7.156 10.352 -8.370 1.00 0.15 C ATOM 1711 CG2 ILE B 64 9.317 9.318 -7.664 1.00 0.13 C ATOM 1712 CD1 ILE B 64 6.310 9.308 -7.616 1.00 0.15 C ATOM 0 H ILE B 64 8.285 13.201 -6.530 1.00 0.11 H new ATOM 0 HA ILE B 64 7.571 10.400 -5.693 1.00 0.11 H new ATOM 0 HB ILE B 64 9.037 11.394 -8.171 1.00 0.12 H new ATOM 0 HG12 ILE B 64 6.599 11.286 -8.451 1.00 0.15 H new ATOM 0 HG13 ILE B 64 7.347 10.005 -9.386 1.00 0.15 H new ATOM 0 HG21 ILE B 64 9.477 8.999 -8.694 1.00 0.13 H new ATOM 0 HG22 ILE B 64 10.280 9.498 -7.186 1.00 0.13 H new ATOM 0 HG23 ILE B 64 8.783 8.538 -7.121 1.00 0.13 H new ATOM 0 HD11 ILE B 64 5.372 9.148 -8.147 1.00 0.15 H new ATOM 0 HD12 ILE B 64 6.859 8.368 -7.558 1.00 0.15 H new ATOM 0 HD13 ILE B 64 6.100 9.669 -6.609 1.00 0.15 H new ATOM 1724 N CYS B 65 9.946 10.076 -4.721 1.00 0.09 N ATOM 1725 CA CYS B 65 11.274 10.042 -4.010 1.00 0.10 C ATOM 1726 C CYS B 65 12.198 9.105 -4.801 1.00 0.10 C ATOM 1727 O CYS B 65 11.813 8.018 -5.180 1.00 0.11 O ATOM 1728 CB CYS B 65 11.132 9.505 -2.571 1.00 0.10 C ATOM 1729 SG CYS B 65 9.684 10.226 -1.752 1.00 0.19 S ATOM 0 H CYS B 65 9.363 9.250 -4.583 1.00 0.09 H new ATOM 0 HA CYS B 65 11.676 11.054 -3.951 1.00 0.10 H new ATOM 0 HB2 CYS B 65 11.040 8.419 -2.591 1.00 0.10 H new ATOM 0 HB3 CYS B 65 12.031 9.739 -2.001 1.00 0.10 H new ATOM 1734 N SER B 66 13.403 9.522 -5.080 1.00 0.12 N ATOM 1735 CA SER B 66 14.328 8.656 -5.881 1.00 0.14 C ATOM 1736 C SER B 66 15.020 7.613 -4.988 1.00 0.14 C ATOM 1737 O SER B 66 15.425 7.894 -3.879 1.00 0.15 O ATOM 1738 CB SER B 66 15.388 9.547 -6.524 1.00 0.18 C ATOM 1739 OG SER B 66 14.745 10.493 -7.369 1.00 0.20 O ATOM 0 H SER B 66 13.790 10.421 -4.791 1.00 0.12 H new ATOM 0 HA SER B 66 13.751 8.128 -6.640 1.00 0.14 H new ATOM 0 HB2 SER B 66 15.966 10.060 -5.755 1.00 0.18 H new ATOM 0 HB3 SER B 66 16.089 8.943 -7.100 1.00 0.18 H new ATOM 0 HG SER B 66 15.418 11.071 -7.785 1.00 0.20 H new ATOM 1745 N TRP B 67 15.181 6.411 -5.477 1.00 0.15 N ATOM 1746 CA TRP B 67 15.861 5.355 -4.672 1.00 0.16 C ATOM 1747 C TRP B 67 17.362 5.612 -4.709 1.00 0.19 C ATOM 1748 O TRP B 67 18.135 4.975 -4.021 1.00 0.21 O ATOM 1749 CB TRP B 67 15.562 3.973 -5.251 1.00 0.16 C ATOM 1750 CG TRP B 67 14.128 3.654 -5.013 1.00 0.14 C ATOM 1751 CD1 TRP B 67 13.095 4.406 -5.437 1.00 0.13 C ATOM 1752 CD2 TRP B 67 13.547 2.525 -4.303 1.00 0.14 C ATOM 1753 NE1 TRP B 67 11.921 3.812 -5.035 1.00 0.13 N ATOM 1754 CE2 TRP B 67 12.148 2.655 -4.329 1.00 0.13 C ATOM 1755 CE3 TRP B 67 14.093 1.415 -3.646 1.00 0.16 C ATOM 1756 CZ2 TRP B 67 11.318 1.723 -3.722 1.00 0.14 C ATOM 1757 CZ3 TRP B 67 13.261 0.470 -3.036 1.00 0.17 C ATOM 1758 CH2 TRP B 67 11.875 0.626 -3.072 1.00 0.16 C ATOM 0 H TRP B 67 14.870 6.115 -6.402 1.00 0.15 H new ATOM 0 HA TRP B 67 15.497 5.385 -3.645 1.00 0.16 H new ATOM 0 HB2 TRP B 67 15.780 3.956 -6.319 1.00 0.16 H new ATOM 0 HB3 TRP B 67 16.199 3.222 -4.783 1.00 0.16 H new ATOM 0 HD1 TRP B 67 13.175 5.324 -6.000 1.00 0.13 H new ATOM 0 HE1 TRP B 67 10.994 4.185 -5.237 1.00 0.13 H new ATOM 0 HE3 TRP B 67 15.165 1.288 -3.610 1.00 0.16 H new ATOM 0 HZ2 TRP B 67 10.246 1.848 -3.754 1.00 0.14 H new ATOM 0 HZ3 TRP B 67 13.693 -0.384 -2.535 1.00 0.17 H new ATOM 0 HH2 TRP B 67 11.236 -0.103 -2.596 1.00 0.16 H new ATOM 1769 N ASN B 68 17.782 6.544 -5.519 1.00 0.23 N ATOM 1770 CA ASN B 68 19.233 6.846 -5.612 1.00 0.27 C ATOM 1771 C ASN B 68 19.751 7.147 -4.213 1.00 0.26 C ATOM 1772 O ASN B 68 20.941 7.217 -3.979 1.00 0.30 O ATOM 1773 CB ASN B 68 19.448 8.070 -6.502 1.00 0.34 C ATOM 1774 CG ASN B 68 19.128 7.701 -7.949 1.00 0.40 C ATOM 1775 OD1 ASN B 68 19.296 8.504 -8.845 1.00 0.49 O ATOM 1776 ND2 ASN B 68 18.674 6.508 -8.216 1.00 0.40 N ATOM 0 H ASN B 68 17.181 7.108 -6.120 1.00 0.23 H new ATOM 0 HA ASN B 68 19.764 5.995 -6.040 1.00 0.27 H new ATOM 0 HB2 ASN B 68 18.809 8.890 -6.174 1.00 0.34 H new ATOM 0 HB3 ASN B 68 20.478 8.416 -6.422 1.00 0.34 H new ATOM 0 HD21 ASN B 68 18.459 6.248 -9.179 1.00 0.40 H new ATOM 0 HD22 ASN B 68 18.534 5.835 -7.462 1.00 0.40 H new