USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=17 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+ -162:sc= -0.0244 (180deg=-0.366) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 7 SER OG : rot 180:sc= 0.00625 USER MOD Single : A 8 LYS NZ :NH3+ 177:sc= 0.612 (180deg=0.445) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.389 X(o=-0.39,f=-0.17) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 136:sc= -1.16! 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+ -123:sc= -1.29 (180deg=-2.95!) USER MOD Single : A 43 HIS : no HD1:sc= -0.395 X(o=-0.39,f=-0.039) USER MOD Single : A 44 SER OG : rot 95:sc= 0.987 USER MOD Single : A 46 SER OG : rot -36:sc= 0.373 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 150:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.29 X(o=-0.29,f=-0.27) USER MOD Single : A 63 GLN : amide:sc= -4.47! C(o=-4.5!,f=-13!) USER MOD Single : A 67 SER OG : rot -73:sc= 0.205 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -100:sc= -0.642 USER MOD Single : A 76 THR OG1 : rot 93:sc= 0.395 USER MOD Single : A 78 GLN : amide:sc= -2.58 K(o=-2.6,f=-1.4) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.382 X(o=-0.38,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -1.3! C(o=-1.3!,f=-11!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -1.7! K(o=-1.7!,f=-0.0027) 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= -2.38! K(o=-2.4!,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 3 -2.495 -2.500 8.854 1.00 0.20 N ATOM 37 CA LYS A 3 -1.485 -3.531 9.261 1.00 0.18 C ATOM 38 C LYS A 3 -0.107 -3.104 8.749 1.00 0.15 C ATOM 39 O LYS A 3 0.052 -2.802 7.584 1.00 0.16 O ATOM 40 CB LYS A 3 -1.861 -4.870 8.608 1.00 0.19 C ATOM 41 CG LYS A 3 -0.923 -5.994 9.090 1.00 0.20 C ATOM 42 CD LYS A 3 -1.405 -6.531 10.442 1.00 0.81 C ATOM 43 CE LYS A 3 -0.502 -7.674 10.898 1.00 1.03 C ATOM 44 NZ LYS A 3 -0.706 -8.846 10.003 1.00 1.67 N ATOM 0 HA LYS A 3 -1.466 -3.631 10.346 1.00 0.18 H new ATOM 0 HB2 LYS A 3 -2.893 -5.122 8.851 1.00 0.19 H new ATOM 0 HB3 LYS A 3 -1.802 -4.780 7.523 1.00 0.19 H new ATOM 0 HG2 LYS A 3 -0.899 -6.800 8.356 1.00 0.20 H new ATOM 0 HG3 LYS A 3 0.095 -5.616 9.181 1.00 0.20 H new ATOM 0 HD2 LYS A 3 -1.398 -5.732 11.184 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -2.434 -6.880 10.359 1.00 0.81 H new ATOM 0 HE2 LYS A 3 0.542 -7.360 10.874 1.00 1.03 H new ATOM 0 HE3 LYS A 3 -0.730 -7.945 11.929 1.00 1.03 H new ATOM 0 HZ1 LYS A 3 -0.345 -9.704 10.467 1.00 1.67 H new ATOM 0 HZ2 LYS A 3 -1.721 -8.960 9.806 1.00 1.67 H new ATOM 0 HZ3 LYS A 3 -0.195 -8.694 9.110 1.00 1.67 H new ATOM 58 N GLN A 4 0.901 -3.102 9.589 1.00 0.15 N ATOM 59 CA GLN A 4 2.264 -2.717 9.111 1.00 0.14 C ATOM 60 C GLN A 4 3.039 -3.992 8.767 1.00 0.12 C ATOM 61 O GLN A 4 3.199 -4.870 9.591 1.00 0.13 O ATOM 62 CB GLN A 4 3.006 -1.947 10.212 1.00 0.16 C ATOM 63 CG GLN A 4 4.395 -1.532 9.694 1.00 0.17 C ATOM 64 CD GLN A 4 5.183 -0.828 10.798 1.00 0.22 C ATOM 65 OE1 GLN A 4 4.977 -1.086 11.968 1.00 0.29 O ATOM 66 NE2 GLN A 4 6.089 0.057 10.471 1.00 0.31 N ATOM 0 H GLN A 4 0.839 -3.348 10.577 1.00 0.15 H new ATOM 0 HA GLN A 4 2.180 -2.079 8.231 1.00 0.14 H new ATOM 0 HB2 GLN A 4 2.435 -1.065 10.503 1.00 0.16 H new ATOM 0 HB3 GLN A 4 3.108 -2.569 11.101 1.00 0.16 H new ATOM 0 HG2 GLN A 4 4.941 -2.411 9.352 1.00 0.17 H new ATOM 0 HG3 GLN A 4 4.288 -0.869 8.835 1.00 0.17 H new ATOM 0 HE21 GLN A 4 6.261 0.272 9.489 1.00 0.31 H new ATOM 0 HE22 GLN A 4 6.624 0.532 11.198 1.00 0.31 H new ATOM 75 N ILE A 5 3.534 -4.093 7.560 1.00 0.10 N ATOM 76 CA ILE A 5 4.311 -5.304 7.153 1.00 0.10 C ATOM 77 C ILE A 5 5.810 -4.978 7.179 1.00 0.10 C ATOM 78 O ILE A 5 6.295 -4.203 6.377 1.00 0.11 O ATOM 79 CB ILE A 5 3.913 -5.677 5.728 1.00 0.11 C ATOM 80 CG1 ILE A 5 2.383 -5.757 5.615 1.00 0.13 C ATOM 81 CG2 ILE A 5 4.536 -7.013 5.336 1.00 0.15 C ATOM 82 CD1 ILE A 5 1.813 -6.708 6.676 1.00 0.19 C ATOM 0 H ILE A 5 3.433 -3.384 6.834 1.00 0.10 H new ATOM 0 HA ILE A 5 4.103 -6.128 7.836 1.00 0.10 H new ATOM 0 HB ILE A 5 4.281 -4.908 5.049 1.00 0.11 H new ATOM 0 HG12 ILE A 5 1.951 -4.764 5.739 1.00 0.13 H new ATOM 0 HG13 ILE A 5 2.104 -6.104 4.620 1.00 0.13 H new ATOM 0 HG21 ILE A 5 4.243 -7.266 4.317 1.00 0.15 H new ATOM 0 HG22 ILE A 5 5.622 -6.939 5.394 1.00 0.15 H new ATOM 0 HG23 ILE A 5 4.189 -7.790 6.017 1.00 0.15 H new ATOM 0 HD11 ILE A 5 0.728 -6.752 6.580 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.230 -7.705 6.533 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.075 -6.344 7.669 1.00 0.19 H new ATOM 94 N GLU A 6 6.550 -5.566 8.088 1.00 0.11 N ATOM 95 CA GLU A 6 8.013 -5.290 8.158 1.00 0.13 C ATOM 96 C GLU A 6 8.774 -6.394 7.419 1.00 0.12 C ATOM 97 O GLU A 6 9.984 -6.363 7.323 1.00 0.13 O ATOM 98 CB GLU A 6 8.457 -5.286 9.626 1.00 0.15 C ATOM 99 CG GLU A 6 7.688 -4.206 10.394 1.00 0.17 C ATOM 100 CD GLU A 6 6.289 -4.719 10.761 1.00 1.45 C ATOM 101 OE1 GLU A 6 5.999 -5.868 10.465 1.00 2.25 O ATOM 102 OE2 GLU A 6 5.536 -3.956 11.342 1.00 2.25 O ATOM 0 H GLU A 6 6.200 -6.225 8.784 1.00 0.11 H new ATOM 0 HA GLU A 6 8.222 -4.323 7.700 1.00 0.13 H new ATOM 0 HB2 GLU A 6 8.276 -6.263 10.074 1.00 0.15 H new ATOM 0 HB3 GLU A 6 9.529 -5.099 9.691 1.00 0.15 H new ATOM 0 HG2 GLU A 6 8.233 -3.933 11.298 1.00 0.17 H new ATOM 0 HG3 GLU A 6 7.606 -3.305 9.787 1.00 0.17 H new ATOM 109 N SER A 7 8.087 -7.373 6.882 1.00 0.12 N ATOM 110 CA SER A 7 8.817 -8.460 6.149 1.00 0.13 C ATOM 111 C SER A 7 7.916 -9.128 5.110 1.00 0.12 C ATOM 112 O SER A 7 6.706 -9.122 5.220 1.00 0.12 O ATOM 113 CB SER A 7 9.265 -9.530 7.144 1.00 0.15 C ATOM 114 OG SER A 7 8.121 -10.077 7.788 1.00 0.15 O ATOM 0 H SER A 7 7.072 -7.469 6.916 1.00 0.12 H new ATOM 0 HA SER A 7 9.672 -8.009 5.646 1.00 0.13 H new ATOM 0 HB2 SER A 7 9.817 -10.315 6.628 1.00 0.15 H new ATOM 0 HB3 SER A 7 9.941 -9.098 7.882 1.00 0.15 H new ATOM 0 HG SER A 7 8.403 -10.765 8.426 1.00 0.15 H new ATOM 120 N LYS A 8 8.509 -9.748 4.121 1.00 0.14 N ATOM 121 CA LYS A 8 7.702 -10.468 3.097 1.00 0.15 C ATOM 122 C LYS A 8 6.973 -11.607 3.789 1.00 0.15 C ATOM 123 O LYS A 8 5.886 -11.992 3.408 1.00 0.16 O ATOM 124 CB LYS A 8 8.614 -11.048 2.015 1.00 0.18 C ATOM 125 CG LYS A 8 7.761 -11.580 0.860 1.00 0.21 C ATOM 126 CD LYS A 8 8.619 -12.458 -0.058 1.00 0.43 C ATOM 127 CE LYS A 8 9.703 -11.603 -0.716 1.00 0.80 C ATOM 128 NZ LYS A 8 10.257 -12.320 -1.899 1.00 1.65 N ATOM 0 H LYS A 8 9.519 -9.785 3.981 1.00 0.14 H new ATOM 0 HA LYS A 8 6.998 -9.778 2.631 1.00 0.15 H new ATOM 0 HB2 LYS A 8 9.299 -10.282 1.652 1.00 0.18 H new ATOM 0 HB3 LYS A 8 9.224 -11.850 2.430 1.00 0.18 H new ATOM 0 HG2 LYS A 8 6.923 -12.157 1.251 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.340 -10.749 0.294 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.076 -13.265 0.516 1.00 0.43 H new ATOM 0 HD3 LYS A 8 7.995 -12.923 -0.821 1.00 0.43 H new ATOM 0 HE2 LYS A 8 9.287 -10.643 -1.022 1.00 0.80 H new ATOM 0 HE3 LYS A 8 10.498 -11.392 -0.001 1.00 0.80 H new ATOM 0 HZ1 LYS A 8 10.957 -11.716 -2.374 1.00 1.65 H new ATOM 0 HZ2 LYS A 8 10.714 -13.201 -1.588 1.00 1.65 H new ATOM 0 HZ3 LYS A 8 9.487 -12.544 -2.561 1.00 1.65 H new ATOM 142 N THR A 9 7.580 -12.167 4.797 1.00 0.15 N ATOM 143 CA THR A 9 6.929 -13.304 5.498 1.00 0.17 C ATOM 144 C THR A 9 5.549 -12.860 5.983 1.00 0.16 C ATOM 145 O THR A 9 4.566 -13.548 5.795 1.00 0.17 O ATOM 146 CB THR A 9 7.794 -13.730 6.695 1.00 0.19 C ATOM 147 OG1 THR A 9 9.111 -14.024 6.245 1.00 0.22 O ATOM 148 CG2 THR A 9 7.199 -14.976 7.359 1.00 0.23 C ATOM 0 H THR A 9 8.491 -11.889 5.162 1.00 0.15 H new ATOM 0 HA THR A 9 6.822 -14.150 4.819 1.00 0.17 H new ATOM 0 HB THR A 9 7.822 -12.916 7.420 1.00 0.19 H new ATOM 0 HG1 THR A 9 9.664 -14.294 7.007 1.00 0.22 H new ATOM 0 HG21 THR A 9 7.820 -15.269 8.206 1.00 0.23 H new ATOM 0 HG22 THR A 9 6.190 -14.756 7.708 1.00 0.23 H new ATOM 0 HG23 THR A 9 7.163 -15.791 6.636 1.00 0.23 H new ATOM 156 N ALA A 10 5.463 -11.709 6.587 1.00 0.15 N ATOM 157 CA ALA A 10 4.142 -11.206 7.059 1.00 0.15 C ATOM 158 C ALA A 10 3.296 -10.820 5.856 1.00 0.14 C ATOM 159 O ALA A 10 2.085 -10.892 5.884 1.00 0.15 O ATOM 160 CB ALA A 10 4.343 -9.981 7.953 1.00 0.17 C ATOM 0 H ALA A 10 6.253 -11.092 6.775 1.00 0.15 H new ATOM 0 HA ALA A 10 3.639 -11.987 7.629 1.00 0.15 H new ATOM 0 HB1 ALA A 10 3.374 -9.617 8.295 1.00 0.17 H new ATOM 0 HB2 ALA A 10 4.953 -10.255 8.814 1.00 0.17 H new ATOM 0 HB3 ALA A 10 4.846 -9.196 7.388 1.00 0.17 H new ATOM 166 N PHE A 11 3.925 -10.397 4.800 1.00 0.14 N ATOM 167 CA PHE A 11 3.156 -9.984 3.600 1.00 0.13 C ATOM 168 C PHE A 11 2.334 -11.169 3.106 1.00 0.14 C ATOM 169 O PHE A 11 1.176 -11.043 2.765 1.00 0.14 O ATOM 170 CB PHE A 11 4.148 -9.571 2.509 1.00 0.14 C ATOM 171 CG PHE A 11 3.419 -8.919 1.358 1.00 0.14 C ATOM 172 CD1 PHE A 11 2.800 -7.678 1.541 1.00 0.14 C ATOM 173 CD2 PHE A 11 3.384 -9.540 0.101 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.143 -7.061 0.474 1.00 0.14 C ATOM 175 CE2 PHE A 11 2.724 -8.922 -0.966 1.00 0.14 C ATOM 176 CZ PHE A 11 2.104 -7.683 -0.779 1.00 0.14 C ATOM 0 H PHE A 11 4.939 -10.319 4.716 1.00 0.14 H new ATOM 0 HA PHE A 11 2.493 -9.153 3.841 1.00 0.13 H new ATOM 0 HB2 PHE A 11 4.884 -8.880 2.920 1.00 0.14 H new ATOM 0 HB3 PHE A 11 4.694 -10.445 2.154 1.00 0.14 H new ATOM 0 HD1 PHE A 11 2.830 -7.197 2.507 1.00 0.14 H new ATOM 0 HD2 PHE A 11 3.867 -10.495 -0.043 1.00 0.14 H new ATOM 0 HE1 PHE A 11 1.665 -6.103 0.616 1.00 0.14 H new ATOM 0 HE2 PHE A 11 2.693 -9.401 -1.933 1.00 0.14 H new ATOM 0 HZ PHE A 11 1.594 -7.205 -1.603 1.00 0.14 H new ATOM 186 N GLN A 12 2.934 -12.321 3.070 1.00 0.14 N ATOM 187 CA GLN A 12 2.207 -13.531 2.593 1.00 0.16 C ATOM 188 C GLN A 12 1.068 -13.868 3.561 1.00 0.15 C ATOM 189 O GLN A 12 -0.034 -14.188 3.163 1.00 0.16 O ATOM 190 CB GLN A 12 3.198 -14.694 2.567 1.00 0.18 C ATOM 191 CG GLN A 12 4.341 -14.378 1.597 1.00 0.17 C ATOM 192 CD GLN A 12 3.788 -14.216 0.181 1.00 0.40 C ATOM 193 OE1 GLN A 12 3.271 -15.154 -0.392 1.00 1.12 O ATOM 194 NE2 GLN A 12 3.861 -13.054 -0.403 1.00 1.31 N ATOM 0 H GLN A 12 3.901 -12.481 3.351 1.00 0.14 H new ATOM 0 HA GLN A 12 1.790 -13.352 1.602 1.00 0.16 H new ATOM 0 HB2 GLN A 12 3.595 -14.868 3.567 1.00 0.18 H new ATOM 0 HB3 GLN A 12 2.691 -15.609 2.261 1.00 0.18 H new ATOM 0 HG2 GLN A 12 4.850 -13.465 1.905 1.00 0.17 H new ATOM 0 HG3 GLN A 12 5.081 -15.178 1.619 1.00 0.17 H new ATOM 0 HE21 GLN A 12 4.295 -12.267 0.079 1.00 1.31 H new ATOM 0 HE22 GLN A 12 3.484 -12.931 -1.343 1.00 1.31 H new ATOM 203 N GLU A 13 1.337 -13.790 4.832 1.00 0.16 N ATOM 204 CA GLU A 13 0.302 -14.088 5.861 1.00 0.17 C ATOM 205 C GLU A 13 -0.808 -13.036 5.809 1.00 0.15 C ATOM 206 O GLU A 13 -1.976 -13.339 5.953 1.00 0.16 O ATOM 207 CB GLU A 13 0.987 -14.098 7.232 1.00 0.19 C ATOM 208 CG GLU A 13 1.689 -15.447 7.456 1.00 0.28 C ATOM 209 CD GLU A 13 2.672 -15.728 6.313 1.00 0.95 C ATOM 210 OE1 GLU A 13 2.214 -15.979 5.210 1.00 1.77 O ATOM 211 OE2 GLU A 13 3.865 -15.695 6.563 1.00 1.67 O ATOM 0 H GLU A 13 2.247 -13.527 5.209 1.00 0.16 H new ATOM 0 HA GLU A 13 -0.157 -15.059 5.674 1.00 0.17 H new ATOM 0 HB2 GLU A 13 1.712 -13.286 7.292 1.00 0.19 H new ATOM 0 HB3 GLU A 13 0.251 -13.926 8.017 1.00 0.19 H new ATOM 0 HG2 GLU A 13 2.220 -15.435 8.408 1.00 0.28 H new ATOM 0 HG3 GLU A 13 0.949 -16.245 7.514 1.00 0.28 H new ATOM 218 N ALA A 14 -0.449 -11.800 5.613 1.00 0.15 N ATOM 219 CA ALA A 14 -1.476 -10.727 5.557 1.00 0.14 C ATOM 220 C ALA A 14 -2.373 -10.972 4.350 1.00 0.13 C ATOM 221 O ALA A 14 -3.580 -10.858 4.423 1.00 0.13 O ATOM 222 CB ALA A 14 -0.788 -9.365 5.413 1.00 0.15 C ATOM 0 H ALA A 14 0.514 -11.486 5.489 1.00 0.15 H new ATOM 0 HA ALA A 14 -2.070 -10.733 6.471 1.00 0.14 H new ATOM 0 HB1 ALA A 14 -1.542 -8.579 5.372 1.00 0.15 H new ATOM 0 HB2 ALA A 14 -0.134 -9.196 6.268 1.00 0.15 H new ATOM 0 HB3 ALA A 14 -0.198 -9.350 4.496 1.00 0.15 H new ATOM 228 N LEU A 15 -1.795 -11.323 3.239 1.00 0.12 N ATOM 229 CA LEU A 15 -2.618 -11.582 2.033 1.00 0.12 C ATOM 230 C LEU A 15 -3.588 -12.716 2.341 1.00 0.13 C ATOM 231 O LEU A 15 -4.737 -12.686 1.945 1.00 0.13 O ATOM 232 CB LEU A 15 -1.709 -11.988 0.875 1.00 0.13 C ATOM 233 CG LEU A 15 -0.884 -10.781 0.401 1.00 0.13 C ATOM 234 CD1 LEU A 15 0.264 -11.273 -0.490 1.00 0.17 C ATOM 235 CD2 LEU A 15 -1.768 -9.800 -0.395 1.00 0.17 C ATOM 0 H LEU A 15 -0.789 -11.441 3.115 1.00 0.12 H new ATOM 0 HA LEU A 15 -3.170 -10.684 1.757 1.00 0.12 H new ATOM 0 HB2 LEU A 15 -1.044 -12.792 1.190 1.00 0.13 H new ATOM 0 HB3 LEU A 15 -2.308 -12.375 0.051 1.00 0.13 H new ATOM 0 HG LEU A 15 -0.484 -10.262 1.272 1.00 0.13 H new ATOM 0 HD11 LEU A 15 0.852 -10.420 -0.829 1.00 0.17 H new ATOM 0 HD12 LEU A 15 0.901 -11.951 0.078 1.00 0.17 H new ATOM 0 HD13 LEU A 15 -0.145 -11.798 -1.353 1.00 0.17 H new ATOM 0 HD21 LEU A 15 -1.167 -8.952 -0.722 1.00 0.17 H new ATOM 0 HD22 LEU A 15 -2.183 -10.308 -1.265 1.00 0.17 H new ATOM 0 HD23 LEU A 15 -2.580 -9.445 0.239 1.00 0.17 H new ATOM 247 N ASP A 16 -3.141 -13.722 3.043 1.00 0.13 N ATOM 248 CA ASP A 16 -4.054 -14.850 3.370 1.00 0.15 C ATOM 249 C ASP A 16 -5.122 -14.388 4.371 1.00 0.15 C ATOM 250 O ASP A 16 -6.254 -14.821 4.324 1.00 0.16 O ATOM 251 CB ASP A 16 -3.262 -16.013 3.981 1.00 0.17 C ATOM 252 CG ASP A 16 -4.165 -17.247 4.075 1.00 0.19 C ATOM 253 OD1 ASP A 16 -5.194 -17.154 4.723 1.00 1.07 O ATOM 254 OD2 ASP A 16 -3.809 -18.263 3.499 1.00 1.07 O ATOM 0 H ASP A 16 -2.190 -13.810 3.401 1.00 0.13 H new ATOM 0 HA ASP A 16 -4.535 -15.183 2.450 1.00 0.15 H new ATOM 0 HB2 ASP A 16 -2.388 -16.234 3.369 1.00 0.17 H new ATOM 0 HB3 ASP A 16 -2.897 -15.739 4.971 1.00 0.17 H new ATOM 259 N ALA A 17 -4.759 -13.530 5.290 1.00 0.15 N ATOM 260 CA ALA A 17 -5.742 -13.056 6.313 1.00 0.16 C ATOM 261 C ALA A 17 -6.823 -12.203 5.660 1.00 0.15 C ATOM 262 O ALA A 17 -7.984 -12.284 6.006 1.00 0.17 O ATOM 263 CB ALA A 17 -5.018 -12.209 7.355 1.00 0.18 C ATOM 0 H ALA A 17 -3.822 -13.136 5.377 1.00 0.15 H new ATOM 0 HA ALA A 17 -6.203 -13.926 6.781 1.00 0.16 H new ATOM 0 HB1 ALA A 17 -5.732 -11.862 8.102 1.00 0.18 H new ATOM 0 HB2 ALA A 17 -4.248 -12.809 7.840 1.00 0.18 H new ATOM 0 HB3 ALA A 17 -4.556 -11.350 6.868 1.00 0.18 H new ATOM 269 N ALA A 18 -6.456 -11.385 4.721 1.00 0.14 N ATOM 270 CA ALA A 18 -7.470 -10.527 4.052 1.00 0.15 C ATOM 271 C ALA A 18 -8.514 -11.418 3.391 1.00 0.14 C ATOM 272 O ALA A 18 -9.673 -11.070 3.291 1.00 0.17 O ATOM 273 CB ALA A 18 -6.798 -9.677 2.977 1.00 0.15 C ATOM 0 H ALA A 18 -5.499 -11.272 4.386 1.00 0.14 H new ATOM 0 HA ALA A 18 -7.939 -9.878 4.791 1.00 0.15 H new ATOM 0 HB1 ALA A 18 -7.545 -9.050 2.489 1.00 0.15 H new ATOM 0 HB2 ALA A 18 -6.037 -9.045 3.435 1.00 0.15 H new ATOM 0 HB3 ALA A 18 -6.332 -10.328 2.237 1.00 0.15 H new ATOM 279 N GLY A 19 -8.108 -12.566 2.931 1.00 0.16 N ATOM 280 CA GLY A 19 -9.072 -13.484 2.266 1.00 0.20 C ATOM 281 C GLY A 19 -9.525 -12.888 0.929 1.00 0.16 C ATOM 282 O GLY A 19 -8.723 -12.591 0.065 1.00 0.17 O ATOM 0 H GLY A 19 -7.149 -12.909 2.987 1.00 0.16 H new ATOM 0 HA2 GLY A 19 -8.607 -14.456 2.101 1.00 0.20 H new ATOM 0 HA3 GLY A 19 -9.935 -13.648 2.911 1.00 0.20 H new ATOM 286 N ASP A 20 -10.811 -12.729 0.747 1.00 0.15 N ATOM 287 CA ASP A 20 -11.338 -12.173 -0.538 1.00 0.14 C ATOM 288 C ASP A 20 -11.519 -10.659 -0.432 1.00 0.12 C ATOM 289 O ASP A 20 -12.030 -10.024 -1.332 1.00 0.13 O ATOM 290 CB ASP A 20 -12.687 -12.823 -0.848 1.00 0.15 C ATOM 291 CG ASP A 20 -12.490 -14.327 -1.050 1.00 0.18 C ATOM 292 OD1 ASP A 20 -11.547 -14.693 -1.730 1.00 1.07 O ATOM 293 OD2 ASP A 20 -13.287 -15.085 -0.519 1.00 1.07 O ATOM 0 H ASP A 20 -11.524 -12.962 1.438 1.00 0.15 H new ATOM 0 HA ASP A 20 -10.626 -12.386 -1.335 1.00 0.14 H new ATOM 0 HB2 ASP A 20 -13.386 -12.643 -0.032 1.00 0.15 H new ATOM 0 HB3 ASP A 20 -13.121 -12.378 -1.744 1.00 0.15 H new ATOM 298 N LYS A 21 -11.110 -10.074 0.658 1.00 0.12 N ATOM 299 CA LYS A 21 -11.270 -8.599 0.812 1.00 0.12 C ATOM 300 C LYS A 21 -10.200 -7.887 -0.022 1.00 0.10 C ATOM 301 O LYS A 21 -9.113 -8.397 -0.207 1.00 0.11 O ATOM 302 CB LYS A 21 -11.085 -8.210 2.286 1.00 0.15 C ATOM 303 CG LYS A 21 -12.253 -8.733 3.138 1.00 0.21 C ATOM 304 CD LYS A 21 -12.328 -7.928 4.443 1.00 0.31 C ATOM 305 CE LYS A 21 -13.191 -8.667 5.465 1.00 0.80 C ATOM 306 NZ LYS A 21 -13.277 -7.857 6.711 1.00 1.50 N ATOM 0 H LYS A 21 -10.673 -10.550 1.447 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.265 -8.308 0.476 1.00 0.12 H new ATOM 0 HB2 LYS A 21 -10.145 -8.617 2.659 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -11.020 -7.126 2.376 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -13.189 -8.643 2.587 1.00 0.21 H new ATOM 0 HG3 LYS A 21 -12.113 -9.791 3.357 1.00 0.21 H new ATOM 0 HD2 LYS A 21 -11.326 -7.775 4.844 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -12.747 -6.941 4.247 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -14.188 -8.839 5.060 1.00 0.80 H new ATOM 0 HE3 LYS A 21 -12.762 -9.645 5.682 1.00 0.80 H new ATOM 0 HZ1 LYS A 21 -13.864 -8.356 7.410 1.00 1.50 H new ATOM 0 HZ2 LYS A 21 -12.323 -7.714 7.099 1.00 1.50 H new ATOM 0 HZ3 LYS A 21 -13.705 -6.934 6.496 1.00 1.50 H new ATOM 320 N LEU A 22 -10.483 -6.712 -0.527 1.00 0.11 N ATOM 321 CA LEU A 22 -9.461 -6.000 -1.335 1.00 0.12 C ATOM 322 C LEU A 22 -8.247 -5.778 -0.422 1.00 0.12 C ATOM 323 O LEU A 22 -8.368 -5.789 0.787 1.00 0.14 O ATOM 324 CB LEU A 22 -10.045 -4.648 -1.805 1.00 0.15 C ATOM 325 CG LEU A 22 -9.650 -4.316 -3.257 1.00 0.29 C ATOM 326 CD1 LEU A 22 -10.181 -2.906 -3.629 1.00 0.31 C ATOM 327 CD2 LEU A 22 -8.121 -4.358 -3.432 1.00 0.47 C ATOM 0 H LEU A 22 -11.371 -6.223 -0.413 1.00 0.11 H new ATOM 0 HA LEU A 22 -9.170 -6.570 -2.217 1.00 0.12 H new ATOM 0 HB2 LEU A 22 -11.132 -4.676 -1.723 1.00 0.15 H new ATOM 0 HB3 LEU A 22 -9.696 -3.854 -1.145 1.00 0.15 H new ATOM 0 HG LEU A 22 -10.092 -5.062 -3.917 1.00 0.29 H new ATOM 0 HD11 LEU A 22 -9.902 -2.671 -4.656 1.00 0.31 H new ATOM 0 HD12 LEU A 22 -11.267 -2.890 -3.536 1.00 0.31 H new ATOM 0 HD13 LEU A 22 -9.748 -2.165 -2.957 1.00 0.31 H new ATOM 0 HD21 LEU A 22 -7.866 -4.120 -4.465 1.00 0.47 H new ATOM 0 HD22 LEU A 22 -7.659 -3.628 -2.767 1.00 0.47 H new ATOM 0 HD23 LEU A 22 -7.754 -5.355 -3.188 1.00 0.47 H new ATOM 339 N VAL A 23 -7.086 -5.585 -0.979 1.00 0.11 N ATOM 340 CA VAL A 23 -5.876 -5.367 -0.142 1.00 0.11 C ATOM 341 C VAL A 23 -4.976 -4.361 -0.840 1.00 0.11 C ATOM 342 O VAL A 23 -4.417 -4.641 -1.881 1.00 0.17 O ATOM 343 CB VAL A 23 -5.101 -6.674 0.022 1.00 0.11 C ATOM 344 CG1 VAL A 23 -3.819 -6.398 0.813 1.00 0.16 C ATOM 345 CG2 VAL A 23 -5.957 -7.696 0.767 1.00 0.12 C ATOM 0 H VAL A 23 -6.922 -5.569 -1.986 1.00 0.11 H new ATOM 0 HA VAL A 23 -6.182 -5.003 0.839 1.00 0.11 H new ATOM 0 HB VAL A 23 -4.849 -7.075 -0.960 1.00 0.11 H new ATOM 0 HG11 VAL A 23 -3.260 -7.326 0.935 1.00 0.16 H new ATOM 0 HG12 VAL A 23 -3.208 -5.674 0.274 1.00 0.16 H new ATOM 0 HG13 VAL A 23 -4.076 -5.998 1.794 1.00 0.16 H new ATOM 0 HG21 VAL A 23 -5.398 -8.625 0.880 1.00 0.12 H new ATOM 0 HG22 VAL A 23 -6.215 -7.306 1.751 1.00 0.12 H new ATOM 0 HG23 VAL A 23 -6.869 -7.888 0.202 1.00 0.12 H new ATOM 355 N VAL A 24 -4.823 -3.195 -0.281 1.00 0.09 N ATOM 356 CA VAL A 24 -3.944 -2.173 -0.917 1.00 0.09 C ATOM 357 C VAL A 24 -2.595 -2.178 -0.195 1.00 0.09 C ATOM 358 O VAL A 24 -2.538 -2.390 1.000 1.00 0.10 O ATOM 359 CB VAL A 24 -4.579 -0.790 -0.779 1.00 0.11 C ATOM 360 CG1 VAL A 24 -3.766 0.218 -1.589 1.00 0.12 C ATOM 361 CG2 VAL A 24 -6.014 -0.821 -1.302 1.00 0.14 C ATOM 0 H VAL A 24 -5.268 -2.904 0.589 1.00 0.09 H new ATOM 0 HA VAL A 24 -3.812 -2.404 -1.974 1.00 0.09 H new ATOM 0 HB VAL A 24 -4.588 -0.500 0.272 1.00 0.11 H new ATOM 0 HG11 VAL A 24 -4.214 1.207 -1.494 1.00 0.12 H new ATOM 0 HG12 VAL A 24 -2.743 0.246 -1.214 1.00 0.12 H new ATOM 0 HG13 VAL A 24 -3.760 -0.079 -2.638 1.00 0.12 H new ATOM 0 HG21 VAL A 24 -6.460 0.168 -1.200 1.00 0.14 H new ATOM 0 HG22 VAL A 24 -6.012 -1.112 -2.352 1.00 0.14 H new ATOM 0 HG23 VAL A 24 -6.595 -1.542 -0.727 1.00 0.14 H new ATOM 371 N VAL A 25 -1.508 -1.958 -0.902 1.00 0.09 N ATOM 372 CA VAL A 25 -0.159 -1.955 -0.237 1.00 0.09 C ATOM 373 C VAL A 25 0.578 -0.648 -0.562 1.00 0.10 C ATOM 374 O VAL A 25 0.827 -0.336 -1.707 1.00 0.11 O ATOM 375 CB VAL A 25 0.668 -3.140 -0.746 1.00 0.09 C ATOM 376 CG1 VAL A 25 1.954 -3.262 0.072 1.00 0.13 C ATOM 377 CG2 VAL A 25 -0.140 -4.435 -0.612 1.00 0.10 C ATOM 0 H VAL A 25 -1.495 -1.781 -1.906 1.00 0.09 H new ATOM 0 HA VAL A 25 -0.293 -2.038 0.841 1.00 0.09 H new ATOM 0 HB VAL A 25 0.916 -2.974 -1.794 1.00 0.09 H new ATOM 0 HG11 VAL A 25 2.539 -4.106 -0.293 1.00 0.13 H new ATOM 0 HG12 VAL A 25 2.537 -2.346 -0.028 1.00 0.13 H new ATOM 0 HG13 VAL A 25 1.704 -3.421 1.121 1.00 0.13 H new ATOM 0 HG21 VAL A 25 0.454 -5.274 -0.976 1.00 0.10 H new ATOM 0 HG22 VAL A 25 -0.395 -4.598 0.435 1.00 0.10 H new ATOM 0 HG23 VAL A 25 -1.054 -4.356 -1.200 1.00 0.10 H new ATOM 387 N ASP A 26 0.939 0.111 0.442 1.00 0.11 N ATOM 388 CA ASP A 26 1.673 1.400 0.203 1.00 0.12 C ATOM 389 C ASP A 26 3.181 1.189 0.412 1.00 0.14 C ATOM 390 O ASP A 26 3.625 0.821 1.478 1.00 0.20 O ATOM 391 CB ASP A 26 1.162 2.460 1.185 1.00 0.14 C ATOM 392 CG ASP A 26 1.877 3.792 0.938 1.00 0.16 C ATOM 393 OD1 ASP A 26 1.701 4.350 -0.133 1.00 1.05 O ATOM 394 OD2 ASP A 26 2.591 4.228 1.826 1.00 1.04 O ATOM 0 H ASP A 26 0.758 -0.104 1.422 1.00 0.11 H new ATOM 0 HA ASP A 26 1.499 1.732 -0.820 1.00 0.12 H new ATOM 0 HB2 ASP A 26 0.086 2.588 1.067 1.00 0.14 H new ATOM 0 HB3 ASP A 26 1.333 2.131 2.210 1.00 0.14 H new ATOM 399 N PHE A 27 3.966 1.429 -0.605 1.00 0.13 N ATOM 400 CA PHE A 27 5.454 1.261 -0.501 1.00 0.13 C ATOM 401 C PHE A 27 6.112 2.603 -0.199 1.00 0.22 C ATOM 402 O PHE A 27 7.272 2.815 -0.493 1.00 0.73 O ATOM 403 CB PHE A 27 6.000 0.709 -1.823 1.00 0.11 C ATOM 404 CG PHE A 27 5.720 -0.770 -1.922 1.00 0.10 C ATOM 405 CD1 PHE A 27 6.563 -1.679 -1.272 1.00 0.11 C ATOM 406 CD2 PHE A 27 4.634 -1.235 -2.673 1.00 0.12 C ATOM 407 CE1 PHE A 27 6.321 -3.053 -1.372 1.00 0.14 C ATOM 408 CE2 PHE A 27 4.392 -2.610 -2.768 1.00 0.14 C ATOM 409 CZ PHE A 27 5.235 -3.519 -2.119 1.00 0.14 C ATOM 0 H PHE A 27 3.638 1.739 -1.520 1.00 0.13 H new ATOM 0 HA PHE A 27 5.678 0.565 0.307 1.00 0.13 H new ATOM 0 HB2 PHE A 27 5.540 1.231 -2.662 1.00 0.11 H new ATOM 0 HB3 PHE A 27 7.073 0.889 -1.886 1.00 0.11 H new ATOM 0 HD1 PHE A 27 7.401 -1.319 -0.693 1.00 0.11 H new ATOM 0 HD2 PHE A 27 3.985 -0.535 -3.178 1.00 0.12 H new ATOM 0 HE1 PHE A 27 6.973 -3.754 -0.872 1.00 0.14 H new ATOM 0 HE2 PHE A 27 3.552 -2.971 -3.344 1.00 0.14 H new ATOM 0 HZ PHE A 27 5.047 -4.580 -2.195 1.00 0.14 H new ATOM 419 N SER A 28 5.387 3.518 0.363 1.00 0.30 N ATOM 420 CA SER A 28 5.982 4.850 0.650 1.00 0.24 C ATOM 421 C SER A 28 7.196 4.714 1.563 1.00 0.24 C ATOM 422 O SER A 28 7.255 3.862 2.426 1.00 0.28 O ATOM 423 CB SER A 28 4.952 5.718 1.360 1.00 0.27 C ATOM 424 OG SER A 28 3.813 5.879 0.526 1.00 0.29 O ATOM 0 H SER A 28 4.411 3.406 0.637 1.00 0.30 H new ATOM 0 HA SER A 28 6.286 5.300 -0.295 1.00 0.24 H new ATOM 0 HB2 SER A 28 4.662 5.258 2.305 1.00 0.27 H new ATOM 0 HB3 SER A 28 5.382 6.691 1.598 1.00 0.27 H new ATOM 0 HG SER A 28 2.999 5.767 1.059 1.00 0.29 H new ATOM 430 N ALA A 29 8.155 5.583 1.383 1.00 0.20 N ATOM 431 CA ALA A 29 9.370 5.558 2.239 1.00 0.21 C ATOM 432 C ALA A 29 9.066 6.345 3.509 1.00 0.22 C ATOM 433 O ALA A 29 8.658 7.489 3.454 1.00 0.22 O ATOM 434 CB ALA A 29 10.540 6.220 1.494 1.00 0.19 C ATOM 0 H ALA A 29 8.145 6.314 0.672 1.00 0.20 H new ATOM 0 HA ALA A 29 9.642 4.531 2.482 1.00 0.21 H new ATOM 0 HB1 ALA A 29 11.430 6.201 2.123 1.00 0.19 H new ATOM 0 HB2 ALA A 29 10.737 5.676 0.570 1.00 0.19 H new ATOM 0 HB3 ALA A 29 10.284 7.253 1.259 1.00 0.19 H new ATOM 440 N THR A 30 9.256 5.755 4.651 1.00 0.23 N ATOM 441 CA THR A 30 8.965 6.499 5.901 1.00 0.24 C ATOM 442 C THR A 30 9.984 7.630 6.043 1.00 0.22 C ATOM 443 O THR A 30 9.670 8.695 6.532 1.00 0.22 O ATOM 444 CB THR A 30 9.064 5.555 7.103 1.00 0.28 C ATOM 445 OG1 THR A 30 8.784 6.279 8.293 1.00 0.30 O ATOM 446 CG2 THR A 30 10.470 4.957 7.185 1.00 0.29 C ATOM 0 H THR A 30 9.596 4.801 4.773 1.00 0.23 H new ATOM 0 HA THR A 30 7.956 6.910 5.863 1.00 0.24 H new ATOM 0 HB THR A 30 8.342 4.747 6.986 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.845 5.677 9.064 1.00 0.30 H new ATOM 0 HG21 THR A 30 10.531 4.287 8.043 1.00 0.29 H new ATOM 0 HG22 THR A 30 10.682 4.399 6.273 1.00 0.29 H new ATOM 0 HG23 THR A 30 11.200 5.758 7.298 1.00 0.29 H new ATOM 454 N TRP A 31 11.199 7.415 5.601 1.00 0.22 N ATOM 455 CA TRP A 31 12.228 8.498 5.706 1.00 0.21 C ATOM 456 C TRP A 31 11.908 9.634 4.731 1.00 0.19 C ATOM 457 O TRP A 31 12.322 10.760 4.926 1.00 0.22 O ATOM 458 CB TRP A 31 13.611 7.950 5.376 1.00 0.23 C ATOM 459 CG TRP A 31 13.627 7.452 3.967 1.00 0.22 C ATOM 460 CD1 TRP A 31 13.501 6.161 3.610 1.00 0.26 C ATOM 461 CD2 TRP A 31 13.760 8.206 2.728 1.00 0.21 C ATOM 462 NE1 TRP A 31 13.585 6.060 2.234 1.00 0.25 N ATOM 463 CE2 TRP A 31 13.734 7.296 1.644 1.00 0.21 C ATOM 464 CE3 TRP A 31 13.907 9.574 2.437 1.00 0.21 C ATOM 465 CZ2 TRP A 31 13.850 7.726 0.324 1.00 0.21 C ATOM 466 CZ3 TRP A 31 14.021 10.010 1.108 1.00 0.23 C ATOM 467 CH2 TRP A 31 13.992 9.088 0.054 1.00 0.21 C ATOM 0 H TRP A 31 11.521 6.546 5.176 1.00 0.22 H new ATOM 0 HA TRP A 31 12.215 8.875 6.729 1.00 0.21 H new ATOM 0 HB2 TRP A 31 14.363 8.728 5.506 1.00 0.23 H new ATOM 0 HB3 TRP A 31 13.867 7.142 6.061 1.00 0.23 H new ATOM 0 HD1 TRP A 31 13.357 5.335 4.290 1.00 0.26 H new ATOM 0 HE1 TRP A 31 13.542 5.180 1.720 1.00 0.25 H new ATOM 0 HE3 TRP A 31 13.932 10.294 3.242 1.00 0.21 H new ATOM 0 HZ2 TRP A 31 13.830 7.010 -0.485 1.00 0.21 H new ATOM 0 HZ3 TRP A 31 14.132 11.063 0.897 1.00 0.23 H new ATOM 0 HH2 TRP A 31 14.079 9.431 -0.966 1.00 0.21 H new ATOM 478 N CYS A 32 11.183 9.366 3.681 1.00 0.18 N ATOM 479 CA CYS A 32 10.864 10.458 2.720 1.00 0.17 C ATOM 480 C CYS A 32 9.682 11.243 3.292 1.00 0.17 C ATOM 481 O CYS A 32 8.622 10.705 3.544 1.00 0.20 O ATOM 482 CB CYS A 32 10.526 9.846 1.346 1.00 0.18 C ATOM 483 SG CYS A 32 10.590 11.125 0.055 1.00 0.26 S ATOM 0 H CYS A 32 10.801 8.449 3.448 1.00 0.18 H new ATOM 0 HA CYS A 32 11.711 11.130 2.581 1.00 0.17 H new ATOM 0 HB2 CYS A 32 11.230 9.048 1.112 1.00 0.18 H new ATOM 0 HB3 CYS A 32 9.533 9.397 1.374 1.00 0.18 H new ATOM 488 N GLY A 33 9.877 12.513 3.537 1.00 0.20 N ATOM 489 CA GLY A 33 8.790 13.339 4.133 1.00 0.23 C ATOM 490 C GLY A 33 7.601 13.444 3.174 1.00 0.21 C ATOM 491 O GLY A 33 6.477 13.195 3.560 1.00 0.22 O ATOM 0 H GLY A 33 10.746 13.013 3.349 1.00 0.20 H new ATOM 0 HA2 GLY A 33 8.466 12.897 5.075 1.00 0.23 H new ATOM 0 HA3 GLY A 33 9.168 14.335 4.362 1.00 0.23 H new ATOM 495 N PRO A 34 7.825 13.817 1.935 1.00 0.21 N ATOM 496 CA PRO A 34 6.701 13.930 0.961 1.00 0.22 C ATOM 497 C PRO A 34 5.838 12.655 0.906 1.00 0.22 C ATOM 498 O PRO A 34 4.631 12.717 0.759 1.00 0.24 O ATOM 499 CB PRO A 34 7.457 14.173 -0.357 1.00 0.29 C ATOM 500 CG PRO A 34 8.861 14.677 0.006 1.00 0.31 C ATOM 501 CD PRO A 34 9.182 14.165 1.417 1.00 0.24 C ATOM 0 HA PRO A 34 5.983 14.711 1.212 1.00 0.22 H new ATOM 0 HB2 PRO A 34 7.518 13.254 -0.940 1.00 0.29 H new ATOM 0 HB3 PRO A 34 6.933 14.906 -0.971 1.00 0.29 H new ATOM 0 HG2 PRO A 34 9.597 14.313 -0.711 1.00 0.31 H new ATOM 0 HG3 PRO A 34 8.898 15.766 -0.025 1.00 0.31 H new ATOM 0 HD2 PRO A 34 9.845 13.300 1.397 1.00 0.24 H new ATOM 0 HD3 PRO A 34 9.669 14.926 2.027 1.00 0.24 H new ATOM 509 N ALA A 35 6.445 11.505 1.035 1.00 0.21 N ATOM 510 CA ALA A 35 5.662 10.234 0.992 1.00 0.23 C ATOM 511 C ALA A 35 4.942 10.015 2.340 1.00 0.23 C ATOM 512 O ALA A 35 3.760 9.742 2.383 1.00 0.22 O ATOM 513 CB ALA A 35 6.625 9.071 0.694 1.00 0.24 C ATOM 0 H ALA A 35 7.450 11.390 1.168 1.00 0.21 H new ATOM 0 HA ALA A 35 4.906 10.285 0.209 1.00 0.23 H new ATOM 0 HB1 ALA A 35 6.066 8.136 0.660 1.00 0.24 H new ATOM 0 HB2 ALA A 35 7.111 9.239 -0.267 1.00 0.24 H new ATOM 0 HB3 ALA A 35 7.380 9.014 1.478 1.00 0.24 H new ATOM 519 N LYS A 36 5.647 10.142 3.435 1.00 0.25 N ATOM 520 CA LYS A 36 5.011 9.959 4.778 1.00 0.27 C ATOM 521 C LYS A 36 3.896 10.991 4.959 1.00 0.26 C ATOM 522 O LYS A 36 2.881 10.733 5.565 1.00 0.27 O ATOM 523 CB LYS A 36 6.071 10.148 5.871 1.00 0.33 C ATOM 524 CG LYS A 36 5.477 9.809 7.242 1.00 0.37 C ATOM 525 CD LYS A 36 6.489 10.155 8.338 1.00 0.44 C ATOM 526 CE LYS A 36 5.905 9.785 9.703 1.00 0.89 C ATOM 527 NZ LYS A 36 6.917 10.039 10.767 1.00 1.59 N ATOM 0 H LYS A 36 6.642 10.366 3.458 1.00 0.25 H new ATOM 0 HA LYS A 36 4.589 8.956 4.850 1.00 0.27 H new ATOM 0 HB2 LYS A 36 6.931 9.509 5.670 1.00 0.33 H new ATOM 0 HB3 LYS A 36 6.431 11.177 5.866 1.00 0.33 H new ATOM 0 HG2 LYS A 36 4.553 10.366 7.397 1.00 0.37 H new ATOM 0 HG3 LYS A 36 5.223 8.750 7.288 1.00 0.37 H new ATOM 0 HD2 LYS A 36 7.422 9.616 8.171 1.00 0.44 H new ATOM 0 HD3 LYS A 36 6.726 11.219 8.307 1.00 0.44 H new ATOM 0 HE2 LYS A 36 5.006 10.370 9.896 1.00 0.89 H new ATOM 0 HE3 LYS A 36 5.610 8.736 9.711 1.00 0.89 H new ATOM 0 HZ1 LYS A 36 6.517 9.787 11.693 1.00 1.59 H new ATOM 0 HZ2 LYS A 36 7.763 9.462 10.586 1.00 1.59 H new ATOM 0 HZ3 LYS A 36 7.178 11.046 10.765 1.00 1.59 H new ATOM 541 N MET A 37 4.092 12.161 4.426 1.00 0.28 N ATOM 542 CA MET A 37 3.076 13.244 4.557 1.00 0.30 C ATOM 543 C MET A 37 1.755 12.797 3.936 1.00 0.25 C ATOM 544 O MET A 37 0.701 13.242 4.329 1.00 0.25 O ATOM 545 CB MET A 37 3.594 14.487 3.826 1.00 0.38 C ATOM 546 CG MET A 37 2.673 15.686 4.082 1.00 0.44 C ATOM 547 SD MET A 37 1.182 15.552 3.060 1.00 1.54 S ATOM 548 CE MET A 37 1.842 16.344 1.573 1.00 2.10 C ATOM 0 H MET A 37 4.925 12.419 3.897 1.00 0.28 H new ATOM 0 HA MET A 37 2.909 13.470 5.610 1.00 0.30 H new ATOM 0 HB2 MET A 37 4.604 14.719 4.163 1.00 0.38 H new ATOM 0 HB3 MET A 37 3.653 14.288 2.756 1.00 0.38 H new ATOM 0 HG2 MET A 37 2.399 15.726 5.136 1.00 0.44 H new ATOM 0 HG3 MET A 37 3.198 16.614 3.854 1.00 0.44 H new ATOM 0 HE1 MET A 37 1.073 16.367 0.801 1.00 2.10 H new ATOM 0 HE2 MET A 37 2.150 17.363 1.809 1.00 2.10 H new ATOM 0 HE3 MET A 37 2.702 15.780 1.211 1.00 2.10 H new ATOM 558 N ILE A 38 1.815 11.943 2.956 1.00 0.23 N ATOM 559 CA ILE A 38 0.574 11.469 2.274 1.00 0.25 C ATOM 560 C ILE A 38 -0.062 10.321 3.062 1.00 0.26 C ATOM 561 O ILE A 38 -1.071 9.775 2.665 1.00 0.31 O ATOM 562 CB ILE A 38 0.927 10.996 0.859 1.00 0.33 C ATOM 563 CG1 ILE A 38 1.556 12.168 0.090 1.00 0.34 C ATOM 564 CG2 ILE A 38 -0.344 10.523 0.128 1.00 0.35 C ATOM 565 CD1 ILE A 38 2.258 11.652 -1.162 1.00 0.49 C ATOM 0 H ILE A 38 2.681 11.546 2.591 1.00 0.23 H new ATOM 0 HA ILE A 38 -0.141 12.290 2.220 1.00 0.25 H new ATOM 0 HB ILE A 38 1.630 10.165 0.916 1.00 0.33 H new ATOM 0 HG12 ILE A 38 0.786 12.888 -0.185 1.00 0.34 H new ATOM 0 HG13 ILE A 38 2.269 12.691 0.727 1.00 0.34 H new ATOM 0 HG21 ILE A 38 -0.083 10.189 -0.876 1.00 0.35 H new ATOM 0 HG22 ILE A 38 -0.795 9.698 0.679 1.00 0.35 H new ATOM 0 HG23 ILE A 38 -1.054 11.347 0.063 1.00 0.35 H new ATOM 0 HD11 ILE A 38 2.701 12.489 -1.702 1.00 0.49 H new ATOM 0 HD12 ILE A 38 3.040 10.949 -0.877 1.00 0.49 H new ATOM 0 HD13 ILE A 38 1.535 11.149 -1.804 1.00 0.49 H new ATOM 577 N LYS A 39 0.523 9.923 4.159 1.00 0.27 N ATOM 578 CA LYS A 39 -0.076 8.793 4.921 1.00 0.34 C ATOM 579 C LYS A 39 -1.504 9.098 5.435 1.00 0.30 C ATOM 580 O LYS A 39 -2.268 8.178 5.609 1.00 0.33 O ATOM 581 CB LYS A 39 0.827 8.334 6.094 1.00 0.46 C ATOM 582 CG LYS A 39 0.724 9.260 7.328 1.00 0.50 C ATOM 583 CD LYS A 39 1.308 8.550 8.558 1.00 0.65 C ATOM 584 CE LYS A 39 0.451 7.329 8.951 1.00 0.80 C ATOM 585 NZ LYS A 39 1.031 6.095 8.347 1.00 0.75 N ATOM 0 H LYS A 39 1.374 10.323 4.554 1.00 0.27 H new ATOM 0 HA LYS A 39 -0.154 7.975 4.205 1.00 0.34 H new ATOM 0 HB2 LYS A 39 0.552 7.320 6.383 1.00 0.46 H new ATOM 0 HB3 LYS A 39 1.863 8.300 5.757 1.00 0.46 H new ATOM 0 HG2 LYS A 39 1.262 10.190 7.143 1.00 0.50 H new ATOM 0 HG3 LYS A 39 -0.317 9.525 7.510 1.00 0.50 H new ATOM 0 HD2 LYS A 39 2.328 8.230 8.347 1.00 0.65 H new ATOM 0 HD3 LYS A 39 1.359 9.247 9.394 1.00 0.65 H new ATOM 0 HE2 LYS A 39 0.414 7.232 10.036 1.00 0.80 H new ATOM 0 HE3 LYS A 39 -0.575 7.466 8.608 1.00 0.80 H new ATOM 0 HZ1 LYS A 39 0.313 5.627 7.758 1.00 0.75 H new ATOM 0 HZ2 LYS A 39 1.850 6.349 7.759 1.00 0.75 H new ATOM 0 HZ3 LYS A 39 1.334 5.448 9.103 1.00 0.75 H new ATOM 599 N PRO A 40 -1.887 10.336 5.745 1.00 0.26 N ATOM 600 CA PRO A 40 -3.259 10.569 6.290 1.00 0.25 C ATOM 601 C PRO A 40 -4.375 10.121 5.338 1.00 0.20 C ATOM 602 O PRO A 40 -5.338 9.527 5.760 1.00 0.21 O ATOM 603 CB PRO A 40 -3.265 12.090 6.511 1.00 0.26 C ATOM 604 CG PRO A 40 -1.807 12.552 6.492 1.00 0.28 C ATOM 605 CD PRO A 40 -1.063 11.575 5.583 1.00 0.27 C ATOM 0 HA PRO A 40 -3.459 9.989 7.191 1.00 0.25 H new ATOM 0 HB2 PRO A 40 -3.838 12.591 5.730 1.00 0.26 H new ATOM 0 HB3 PRO A 40 -3.736 12.339 7.462 1.00 0.26 H new ATOM 0 HG2 PRO A 40 -1.727 13.572 6.116 1.00 0.28 H new ATOM 0 HG3 PRO A 40 -1.384 12.548 7.497 1.00 0.28 H new ATOM 0 HD2 PRO A 40 -1.034 11.917 4.548 1.00 0.27 H new ATOM 0 HD3 PRO A 40 -0.030 11.426 5.898 1.00 0.27 H new ATOM 613 N PHE A 41 -4.272 10.395 4.064 1.00 0.16 N ATOM 614 CA PHE A 41 -5.362 9.953 3.146 1.00 0.13 C ATOM 615 C PHE A 41 -5.345 8.426 3.070 1.00 0.13 C ATOM 616 O PHE A 41 -6.345 7.762 3.226 1.00 0.15 O ATOM 617 CB PHE A 41 -5.089 10.497 1.744 1.00 0.14 C ATOM 618 CG PHE A 41 -5.291 11.991 1.696 1.00 0.18 C ATOM 619 CD1 PHE A 41 -4.315 12.839 2.222 1.00 0.25 C ATOM 620 CD2 PHE A 41 -6.445 12.526 1.108 1.00 0.22 C ATOM 621 CE1 PHE A 41 -4.490 14.226 2.166 1.00 0.34 C ATOM 622 CE2 PHE A 41 -6.618 13.914 1.049 1.00 0.31 C ATOM 623 CZ PHE A 41 -5.641 14.764 1.580 1.00 0.37 C ATOM 0 H PHE A 41 -3.498 10.895 3.627 1.00 0.16 H new ATOM 0 HA PHE A 41 -6.322 10.315 3.513 1.00 0.13 H new ATOM 0 HB2 PHE A 41 -4.068 10.255 1.448 1.00 0.14 H new ATOM 0 HB3 PHE A 41 -5.752 10.013 1.027 1.00 0.14 H new ATOM 0 HD1 PHE A 41 -3.425 12.425 2.672 1.00 0.25 H new ATOM 0 HD2 PHE A 41 -7.199 11.869 0.701 1.00 0.22 H new ATOM 0 HE1 PHE A 41 -3.736 14.882 2.575 1.00 0.34 H new ATOM 0 HE2 PHE A 41 -7.505 14.329 0.594 1.00 0.31 H new ATOM 0 HZ PHE A 41 -5.776 15.835 1.537 1.00 0.37 H new ATOM 633 N PHE A 42 -4.191 7.869 2.868 1.00 0.12 N ATOM 634 CA PHE A 42 -4.063 6.387 2.796 1.00 0.13 C ATOM 635 C PHE A 42 -4.532 5.757 4.101 1.00 0.14 C ATOM 636 O PHE A 42 -5.350 4.859 4.123 1.00 0.16 O ATOM 637 CB PHE A 42 -2.592 6.051 2.544 1.00 0.13 C ATOM 638 CG PHE A 42 -2.401 4.557 2.498 1.00 0.12 C ATOM 639 CD1 PHE A 42 -2.744 3.845 1.345 1.00 0.12 C ATOM 640 CD2 PHE A 42 -1.887 3.881 3.615 1.00 0.12 C ATOM 641 CE1 PHE A 42 -2.579 2.455 1.305 1.00 0.13 C ATOM 642 CE2 PHE A 42 -1.719 2.490 3.575 1.00 0.13 C ATOM 643 CZ PHE A 42 -2.064 1.777 2.420 1.00 0.13 C ATOM 0 H PHE A 42 -3.317 8.381 2.748 1.00 0.12 H new ATOM 0 HA PHE A 42 -4.681 5.993 1.990 1.00 0.13 H new ATOM 0 HB2 PHE A 42 -2.265 6.496 1.604 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -1.973 6.480 3.332 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -3.136 4.367 0.485 1.00 0.12 H new ATOM 0 HD2 PHE A 42 -1.621 4.432 4.505 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -2.848 1.905 0.416 1.00 0.13 H new ATOM 0 HE2 PHE A 42 -1.324 1.968 4.434 1.00 0.13 H new ATOM 0 HZ PHE A 42 -1.934 0.705 2.388 1.00 0.13 H new ATOM 653 N HIS A 43 -4.011 6.233 5.188 1.00 0.16 N ATOM 654 CA HIS A 43 -4.389 5.695 6.519 1.00 0.18 C ATOM 655 C HIS A 43 -5.837 6.067 6.875 1.00 0.16 C ATOM 656 O HIS A 43 -6.589 5.251 7.368 1.00 0.16 O ATOM 657 CB HIS A 43 -3.421 6.276 7.551 1.00 0.23 C ATOM 658 CG HIS A 43 -3.772 5.776 8.916 1.00 0.27 C ATOM 659 ND1 HIS A 43 -3.149 4.683 9.490 1.00 0.30 N ATOM 660 CD2 HIS A 43 -4.710 6.194 9.821 1.00 0.28 C ATOM 661 CE1 HIS A 43 -3.720 4.478 10.692 1.00 0.32 C ATOM 662 NE2 HIS A 43 -4.680 5.372 10.942 1.00 0.31 N ATOM 0 H HIS A 43 -3.325 6.987 5.213 1.00 0.16 H new ATOM 0 HA HIS A 43 -4.328 4.607 6.508 1.00 0.18 H new ATOM 0 HB2 HIS A 43 -2.398 5.993 7.303 1.00 0.23 H new ATOM 0 HB3 HIS A 43 -3.465 7.365 7.531 1.00 0.23 H new ATOM 0 HD2 HIS A 43 -5.373 7.035 9.685 1.00 0.28 H new ATOM 0 HE1 HIS A 43 -3.436 3.687 11.371 1.00 0.32 H new ATOM 0 HE2 HIS A 43 -5.265 5.438 11.775 1.00 0.31 H new ATOM 670 N SER A 44 -6.227 7.296 6.646 1.00 0.15 N ATOM 671 CA SER A 44 -7.621 7.723 6.987 1.00 0.15 C ATOM 672 C SER A 44 -8.640 6.904 6.186 1.00 0.13 C ATOM 673 O SER A 44 -9.677 6.522 6.689 1.00 0.15 O ATOM 674 CB SER A 44 -7.815 9.216 6.685 1.00 0.18 C ATOM 675 OG SER A 44 -6.909 9.977 7.476 1.00 0.22 O ATOM 0 H SER A 44 -5.640 8.024 6.237 1.00 0.15 H new ATOM 0 HA SER A 44 -7.779 7.551 8.052 1.00 0.15 H new ATOM 0 HB2 SER A 44 -7.643 9.410 5.626 1.00 0.18 H new ATOM 0 HB3 SER A 44 -8.842 9.512 6.901 1.00 0.18 H new ATOM 0 HG SER A 44 -6.099 10.164 6.957 1.00 0.22 H new ATOM 681 N LEU A 45 -8.358 6.641 4.938 1.00 0.12 N ATOM 682 CA LEU A 45 -9.321 5.871 4.097 1.00 0.14 C ATOM 683 C LEU A 45 -9.570 4.499 4.709 1.00 0.13 C ATOM 684 O LEU A 45 -10.588 3.887 4.468 1.00 0.15 O ATOM 685 CB LEU A 45 -8.764 5.697 2.681 1.00 0.16 C ATOM 686 CG LEU A 45 -8.798 7.039 1.920 1.00 0.18 C ATOM 687 CD1 LEU A 45 -7.804 6.991 0.754 1.00 0.20 C ATOM 688 CD2 LEU A 45 -10.202 7.311 1.359 1.00 0.22 C ATOM 0 H LEU A 45 -7.501 6.926 4.464 1.00 0.12 H new ATOM 0 HA LEU A 45 -10.259 6.424 4.052 1.00 0.14 H new ATOM 0 HB2 LEU A 45 -7.741 5.325 2.729 1.00 0.16 H new ATOM 0 HB3 LEU A 45 -9.349 4.951 2.142 1.00 0.16 H new ATOM 0 HG LEU A 45 -8.530 7.835 2.615 1.00 0.18 H new ATOM 0 HD11 LEU A 45 -7.828 7.939 0.216 1.00 0.20 H new ATOM 0 HD12 LEU A 45 -6.799 6.818 1.139 1.00 0.20 H new ATOM 0 HD13 LEU A 45 -8.077 6.182 0.076 1.00 0.20 H new ATOM 0 HD21 LEU A 45 -10.203 8.262 0.826 1.00 0.22 H new ATOM 0 HD22 LEU A 45 -10.481 6.511 0.673 1.00 0.22 H new ATOM 0 HD23 LEU A 45 -10.919 7.353 2.179 1.00 0.22 H new ATOM 700 N SER A 46 -8.662 3.993 5.487 1.00 0.12 N ATOM 701 CA SER A 46 -8.895 2.653 6.082 1.00 0.12 C ATOM 702 C SER A 46 -10.260 2.644 6.764 1.00 0.14 C ATOM 703 O SER A 46 -10.974 1.663 6.731 1.00 0.16 O ATOM 704 CB SER A 46 -7.798 2.355 7.097 1.00 0.13 C ATOM 705 OG SER A 46 -6.550 2.315 6.416 1.00 0.14 O ATOM 0 H SER A 46 -7.780 4.441 5.735 1.00 0.12 H new ATOM 0 HA SER A 46 -8.876 1.888 5.305 1.00 0.12 H new ATOM 0 HB2 SER A 46 -7.782 3.121 7.872 1.00 0.13 H new ATOM 0 HB3 SER A 46 -7.989 1.403 7.593 1.00 0.13 H new ATOM 0 HG SER A 46 -6.673 1.914 5.530 1.00 0.14 H new ATOM 711 N GLU A 47 -10.640 3.733 7.369 1.00 0.15 N ATOM 712 CA GLU A 47 -11.968 3.783 8.033 1.00 0.18 C ATOM 713 C GLU A 47 -13.037 4.182 7.007 1.00 0.18 C ATOM 714 O GLU A 47 -14.219 3.999 7.232 1.00 0.21 O ATOM 715 CB GLU A 47 -11.919 4.823 9.155 1.00 0.22 C ATOM 716 CG GLU A 47 -11.044 4.310 10.304 1.00 0.23 C ATOM 717 CD GLU A 47 -9.566 4.331 9.899 1.00 1.34 C ATOM 718 OE1 GLU A 47 -9.199 5.176 9.095 1.00 2.16 O ATOM 719 OE2 GLU A 47 -8.824 3.502 10.405 1.00 2.05 O ATOM 0 H GLU A 47 -10.089 4.589 7.432 1.00 0.15 H new ATOM 0 HA GLU A 47 -12.216 2.805 8.446 1.00 0.18 H new ATOM 0 HB2 GLU A 47 -11.520 5.763 8.774 1.00 0.22 H new ATOM 0 HB3 GLU A 47 -12.926 5.028 9.517 1.00 0.22 H new ATOM 0 HG2 GLU A 47 -11.194 4.929 11.189 1.00 0.23 H new ATOM 0 HG3 GLU A 47 -11.340 3.296 10.571 1.00 0.23 H new ATOM 726 N LYS A 48 -12.640 4.682 5.861 1.00 0.17 N ATOM 727 CA LYS A 48 -13.651 5.038 4.828 1.00 0.19 C ATOM 728 C LYS A 48 -14.041 3.746 4.120 1.00 0.18 C ATOM 729 O LYS A 48 -15.177 3.548 3.739 1.00 0.21 O ATOM 730 CB LYS A 48 -13.082 6.033 3.818 1.00 0.20 C ATOM 731 CG LYS A 48 -14.210 6.479 2.890 1.00 0.30 C ATOM 732 CD LYS A 48 -13.660 7.429 1.834 1.00 0.82 C ATOM 733 CE LYS A 48 -14.795 7.894 0.925 1.00 1.03 C ATOM 734 NZ LYS A 48 -14.273 8.931 -0.003 1.00 1.78 N ATOM 0 H LYS A 48 -11.669 4.856 5.602 1.00 0.17 H new ATOM 0 HA LYS A 48 -14.514 5.511 5.296 1.00 0.19 H new ATOM 0 HB2 LYS A 48 -12.653 6.892 4.333 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -12.279 5.572 3.243 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -14.665 5.612 2.411 1.00 0.30 H new ATOM 0 HG3 LYS A 48 -14.993 6.973 3.465 1.00 0.30 H new ATOM 0 HD2 LYS A 48 -13.188 8.287 2.312 1.00 0.82 H new ATOM 0 HD3 LYS A 48 -12.890 6.929 1.246 1.00 0.82 H new ATOM 0 HE2 LYS A 48 -15.196 7.052 0.362 1.00 1.03 H new ATOM 0 HE3 LYS A 48 -15.614 8.298 1.520 1.00 1.03 H new ATOM 0 HZ1 LYS A 48 -15.039 9.255 -0.628 1.00 1.78 H new ATOM 0 HZ2 LYS A 48 -13.909 9.736 0.545 1.00 1.78 H new ATOM 0 HZ3 LYS A 48 -13.505 8.528 -0.577 1.00 1.78 H new ATOM 748 N TYR A 49 -13.095 2.850 3.974 1.00 0.16 N ATOM 749 CA TYR A 49 -13.376 1.524 3.338 1.00 0.17 C ATOM 750 C TYR A 49 -12.935 0.445 4.321 1.00 0.16 C ATOM 751 O TYR A 49 -12.030 -0.324 4.067 1.00 0.16 O ATOM 752 CB TYR A 49 -12.590 1.392 2.031 1.00 0.17 C ATOM 753 CG TYR A 49 -13.101 2.406 1.034 1.00 0.17 C ATOM 754 CD1 TYR A 49 -14.349 2.221 0.426 1.00 0.22 C ATOM 755 CD2 TYR A 49 -12.331 3.530 0.720 1.00 0.19 C ATOM 756 CE1 TYR A 49 -14.826 3.162 -0.495 1.00 0.25 C ATOM 757 CE2 TYR A 49 -12.806 4.470 -0.201 1.00 0.20 C ATOM 758 CZ TYR A 49 -14.054 4.286 -0.809 1.00 0.21 C ATOM 759 OH TYR A 49 -14.522 5.214 -1.717 1.00 0.25 O ATOM 0 H TYR A 49 -12.129 2.983 4.272 1.00 0.16 H new ATOM 0 HA TYR A 49 -14.437 1.426 3.107 1.00 0.17 H new ATOM 0 HB2 TYR A 49 -11.527 1.550 2.215 1.00 0.17 H new ATOM 0 HB3 TYR A 49 -12.697 0.384 1.629 1.00 0.17 H new ATOM 0 HD1 TYR A 49 -14.944 1.352 0.667 1.00 0.22 H new ATOM 0 HD2 TYR A 49 -11.369 3.673 1.189 1.00 0.19 H new ATOM 0 HE1 TYR A 49 -15.789 3.020 -0.963 1.00 0.25 H new ATOM 0 HE2 TYR A 49 -12.210 5.338 -0.443 1.00 0.20 H new ATOM 0 HH TYR A 49 -14.169 6.100 -1.491 1.00 0.25 H new ATOM 769 N SER A 50 -13.579 0.389 5.450 1.00 0.17 N ATOM 770 CA SER A 50 -13.215 -0.614 6.478 1.00 0.18 C ATOM 771 C SER A 50 -13.417 -2.018 5.907 1.00 0.19 C ATOM 772 O SER A 50 -13.010 -3.003 6.491 1.00 0.21 O ATOM 773 CB SER A 50 -14.109 -0.410 7.695 1.00 0.20 C ATOM 774 OG SER A 50 -15.432 -0.824 7.375 1.00 0.22 O ATOM 0 H SER A 50 -14.351 1.004 5.705 1.00 0.17 H new ATOM 0 HA SER A 50 -12.171 -0.498 6.769 1.00 0.18 H new ATOM 0 HB2 SER A 50 -13.730 -0.984 8.541 1.00 0.20 H new ATOM 0 HB3 SER A 50 -14.105 0.638 7.993 1.00 0.20 H new ATOM 0 HG SER A 50 -16.012 -0.697 8.155 1.00 0.22 H new ATOM 780 N ASN A 51 -14.032 -2.112 4.757 1.00 0.20 N ATOM 781 CA ASN A 51 -14.250 -3.447 4.129 1.00 0.23 C ATOM 782 C ASN A 51 -13.072 -3.742 3.209 1.00 0.19 C ATOM 783 O ASN A 51 -13.064 -4.697 2.458 1.00 0.22 O ATOM 784 CB ASN A 51 -15.544 -3.423 3.320 1.00 0.32 C ATOM 785 CG ASN A 51 -15.899 -4.844 2.884 1.00 0.54 C ATOM 786 OD1 ASN A 51 -16.273 -5.667 3.695 1.00 1.13 O ATOM 787 ND2 ASN A 51 -15.792 -5.170 1.626 1.00 0.27 N ATOM 0 H ASN A 51 -14.393 -1.320 4.225 1.00 0.20 H new ATOM 0 HA ASN A 51 -14.327 -4.218 4.895 1.00 0.23 H new ATOM 0 HB2 ASN A 51 -16.352 -3.002 3.919 1.00 0.32 H new ATOM 0 HB3 ASN A 51 -15.427 -2.782 2.446 1.00 0.32 H new ATOM 0 HD21 ASN A 51 -16.022 -6.116 1.323 1.00 0.27 H new ATOM 0 HD22 ASN A 51 -15.478 -4.479 0.945 1.00 0.27 H new ATOM 794 N VAL A 52 -12.062 -2.923 3.300 1.00 0.21 N ATOM 795 CA VAL A 52 -10.830 -3.104 2.487 1.00 0.17 C ATOM 796 C VAL A 52 -9.656 -3.092 3.462 1.00 0.13 C ATOM 797 O VAL A 52 -9.669 -2.369 4.439 1.00 0.14 O ATOM 798 CB VAL A 52 -10.705 -1.960 1.466 1.00 0.19 C ATOM 799 CG1 VAL A 52 -9.304 -1.963 0.820 1.00 0.19 C ATOM 800 CG2 VAL A 52 -11.772 -2.140 0.379 1.00 0.24 C ATOM 0 H VAL A 52 -12.040 -2.114 3.921 1.00 0.21 H new ATOM 0 HA VAL A 52 -10.854 -4.039 1.928 1.00 0.17 H new ATOM 0 HB VAL A 52 -10.850 -1.008 1.977 1.00 0.19 H new ATOM 0 HG11 VAL A 52 -9.233 -1.147 0.100 1.00 0.19 H new ATOM 0 HG12 VAL A 52 -8.547 -1.832 1.593 1.00 0.19 H new ATOM 0 HG13 VAL A 52 -9.141 -2.912 0.310 1.00 0.19 H new ATOM 0 HG21 VAL A 52 -11.690 -1.333 -0.349 1.00 0.24 H new ATOM 0 HG22 VAL A 52 -11.623 -3.097 -0.122 1.00 0.24 H new ATOM 0 HG23 VAL A 52 -12.762 -2.119 0.834 1.00 0.24 H new ATOM 810 N ILE A 53 -8.659 -3.905 3.239 1.00 0.11 N ATOM 811 CA ILE A 53 -7.505 -3.946 4.195 1.00 0.09 C ATOM 812 C ILE A 53 -6.343 -3.116 3.629 1.00 0.09 C ATOM 813 O ILE A 53 -5.825 -3.409 2.571 1.00 0.12 O ATOM 814 CB ILE A 53 -7.045 -5.404 4.356 1.00 0.11 C ATOM 815 CG1 ILE A 53 -8.249 -6.312 4.671 1.00 0.13 C ATOM 816 CG2 ILE A 53 -6.018 -5.509 5.493 1.00 0.13 C ATOM 817 CD1 ILE A 53 -9.049 -5.754 5.852 1.00 0.15 C ATOM 0 H ILE A 53 -8.589 -4.540 2.444 1.00 0.11 H new ATOM 0 HA ILE A 53 -7.811 -3.539 5.159 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.587 -5.727 3.421 1.00 0.11 H new ATOM 0 HG12 ILE A 53 -8.892 -6.391 3.794 1.00 0.13 H new ATOM 0 HG13 ILE A 53 -7.902 -7.319 4.903 1.00 0.13 H new ATOM 0 HG21 ILE A 53 -5.698 -6.545 5.600 1.00 0.13 H new ATOM 0 HG22 ILE A 53 -5.155 -4.885 5.262 1.00 0.13 H new ATOM 0 HG23 ILE A 53 -6.471 -5.172 6.425 1.00 0.13 H new ATOM 0 HD11 ILE A 53 -9.895 -6.409 6.060 1.00 0.15 H new ATOM 0 HD12 ILE A 53 -8.408 -5.699 6.732 1.00 0.15 H new ATOM 0 HD13 ILE A 53 -9.414 -4.757 5.606 1.00 0.15 H new ATOM 829 N PHE A 54 -5.922 -2.089 4.335 1.00 0.08 N ATOM 830 CA PHE A 54 -4.784 -1.240 3.843 1.00 0.09 C ATOM 831 C PHE A 54 -3.472 -1.654 4.533 1.00 0.09 C ATOM 832 O PHE A 54 -3.367 -1.643 5.746 1.00 0.12 O ATOM 833 CB PHE A 54 -5.059 0.231 4.187 1.00 0.10 C ATOM 834 CG PHE A 54 -6.237 0.763 3.397 1.00 0.09 C ATOM 835 CD1 PHE A 54 -7.540 0.340 3.692 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.025 1.702 2.375 1.00 0.10 C ATOM 837 CE1 PHE A 54 -8.624 0.853 2.967 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.110 2.210 1.651 1.00 0.11 C ATOM 839 CZ PHE A 54 -8.408 1.785 1.947 1.00 0.10 C ATOM 0 H PHE A 54 -6.317 -1.802 5.230 1.00 0.08 H new ATOM 0 HA PHE A 54 -4.693 -1.374 2.765 1.00 0.09 H new ATOM 0 HB2 PHE A 54 -5.259 0.327 5.254 1.00 0.10 H new ATOM 0 HB3 PHE A 54 -4.173 0.830 3.974 1.00 0.10 H new ATOM 0 HD1 PHE A 54 -7.709 -0.381 4.478 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.023 2.033 2.147 1.00 0.10 H new ATOM 0 HE1 PHE A 54 -9.628 0.528 3.196 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -6.944 2.930 0.864 1.00 0.11 H new ATOM 0 HZ PHE A 54 -9.245 2.177 1.388 1.00 0.10 H new ATOM 849 N LEU A 55 -2.457 -1.990 3.764 1.00 0.09 N ATOM 850 CA LEU A 55 -1.130 -2.383 4.354 1.00 0.11 C ATOM 851 C LEU A 55 -0.114 -1.279 4.077 1.00 0.10 C ATOM 852 O LEU A 55 -0.079 -0.712 3.005 1.00 0.10 O ATOM 853 CB LEU A 55 -0.584 -3.677 3.709 1.00 0.12 C ATOM 854 CG LEU A 55 -1.339 -4.919 4.198 1.00 0.15 C ATOM 855 CD1 LEU A 55 -2.848 -4.724 4.067 1.00 0.20 C ATOM 856 CD2 LEU A 55 -0.901 -6.124 3.361 1.00 0.22 C ATOM 0 H LEU A 55 -2.492 -2.009 2.745 1.00 0.09 H new ATOM 0 HA LEU A 55 -1.278 -2.542 5.422 1.00 0.11 H new ATOM 0 HB2 LEU A 55 -0.666 -3.605 2.624 1.00 0.12 H new ATOM 0 HB3 LEU A 55 0.476 -3.780 3.942 1.00 0.12 H new ATOM 0 HG LEU A 55 -1.107 -5.086 5.250 1.00 0.15 H new ATOM 0 HD11 LEU A 55 -3.362 -5.618 4.420 1.00 0.20 H new ATOM 0 HD12 LEU A 55 -3.157 -3.867 4.665 1.00 0.20 H new ATOM 0 HD13 LEU A 55 -3.103 -4.548 3.022 1.00 0.20 H new ATOM 0 HD21 LEU A 55 -1.431 -7.014 3.699 1.00 0.22 H new ATOM 0 HD22 LEU A 55 -1.132 -5.941 2.311 1.00 0.22 H new ATOM 0 HD23 LEU A 55 0.172 -6.276 3.475 1.00 0.22 H new ATOM 868 N GLU A 56 0.739 -1.006 5.028 1.00 0.12 N ATOM 869 CA GLU A 56 1.799 0.028 4.839 1.00 0.13 C ATOM 870 C GLU A 56 3.131 -0.711 4.759 1.00 0.13 C ATOM 871 O GLU A 56 3.398 -1.592 5.552 1.00 0.14 O ATOM 872 CB GLU A 56 1.805 0.996 6.024 1.00 0.15 C ATOM 873 CG GLU A 56 2.787 2.136 5.748 1.00 0.17 C ATOM 874 CD GLU A 56 2.917 3.009 6.998 1.00 0.20 C ATOM 875 OE1 GLU A 56 1.958 3.689 7.326 1.00 1.05 O ATOM 876 OE2 GLU A 56 3.971 2.977 7.611 1.00 1.13 O ATOM 0 H GLU A 56 0.747 -1.462 5.940 1.00 0.12 H new ATOM 0 HA GLU A 56 1.621 0.609 3.934 1.00 0.13 H new ATOM 0 HB2 GLU A 56 0.804 1.396 6.186 1.00 0.15 H new ATOM 0 HB3 GLU A 56 2.089 0.470 6.935 1.00 0.15 H new ATOM 0 HG2 GLU A 56 3.761 1.733 5.470 1.00 0.17 H new ATOM 0 HG3 GLU A 56 2.438 2.735 4.907 1.00 0.17 H new ATOM 883 N VAL A 57 3.950 -0.394 3.788 1.00 0.12 N ATOM 884 CA VAL A 57 5.256 -1.117 3.626 1.00 0.12 C ATOM 885 C VAL A 57 6.416 -0.113 3.526 1.00 0.11 C ATOM 886 O VAL A 57 6.364 0.845 2.785 1.00 0.13 O ATOM 887 CB VAL A 57 5.181 -1.953 2.347 1.00 0.12 C ATOM 888 CG1 VAL A 57 6.439 -2.800 2.192 1.00 0.15 C ATOM 889 CG2 VAL A 57 3.975 -2.874 2.436 1.00 0.14 C ATOM 0 H VAL A 57 3.773 0.335 3.097 1.00 0.12 H new ATOM 0 HA VAL A 57 5.435 -1.757 4.490 1.00 0.12 H new ATOM 0 HB VAL A 57 5.093 -1.287 1.489 1.00 0.12 H new ATOM 0 HG11 VAL A 57 6.371 -3.389 1.277 1.00 0.15 H new ATOM 0 HG12 VAL A 57 7.312 -2.149 2.140 1.00 0.15 H new ATOM 0 HG13 VAL A 57 6.535 -3.468 3.048 1.00 0.15 H new ATOM 0 HG21 VAL A 57 3.909 -3.476 1.530 1.00 0.14 H new ATOM 0 HG22 VAL A 57 4.081 -3.529 3.300 1.00 0.14 H new ATOM 0 HG23 VAL A 57 3.069 -2.278 2.542 1.00 0.14 H new ATOM 899 N ASP A 58 7.468 -0.345 4.270 1.00 0.10 N ATOM 900 CA ASP A 58 8.653 0.566 4.238 1.00 0.09 C ATOM 901 C ASP A 58 9.692 0.000 3.267 1.00 0.09 C ATOM 902 O ASP A 58 10.197 -1.085 3.460 1.00 0.09 O ATOM 903 CB ASP A 58 9.262 0.620 5.633 1.00 0.10 C ATOM 904 CG ASP A 58 10.331 1.711 5.681 1.00 0.11 C ATOM 905 OD1 ASP A 58 10.139 2.728 5.039 1.00 1.05 O ATOM 906 OD2 ASP A 58 11.328 1.507 6.358 1.00 1.02 O ATOM 0 H ASP A 58 7.557 -1.137 4.906 1.00 0.10 H new ATOM 0 HA ASP A 58 8.351 1.563 3.918 1.00 0.09 H new ATOM 0 HB2 ASP A 58 8.487 0.823 6.372 1.00 0.10 H new ATOM 0 HB3 ASP A 58 9.700 -0.345 5.888 1.00 0.10 H new ATOM 911 N VAL A 59 10.042 0.717 2.240 1.00 0.09 N ATOM 912 CA VAL A 59 11.062 0.173 1.298 1.00 0.10 C ATOM 913 C VAL A 59 12.398 0.103 2.018 1.00 0.11 C ATOM 914 O VAL A 59 13.317 -0.542 1.564 1.00 0.12 O ATOM 915 CB VAL A 59 11.202 1.091 0.082 1.00 0.12 C ATOM 916 CG1 VAL A 59 9.870 1.146 -0.659 1.00 0.14 C ATOM 917 CG2 VAL A 59 11.598 2.499 0.535 1.00 0.16 C ATOM 0 H VAL A 59 9.675 1.641 2.011 1.00 0.09 H new ATOM 0 HA VAL A 59 10.753 -0.817 0.963 1.00 0.10 H new ATOM 0 HB VAL A 59 11.975 0.702 -0.580 1.00 0.12 H new ATOM 0 HG11 VAL A 59 9.963 1.799 -1.527 1.00 0.14 H new ATOM 0 HG12 VAL A 59 9.594 0.144 -0.987 1.00 0.14 H new ATOM 0 HG13 VAL A 59 9.099 1.535 0.006 1.00 0.14 H new ATOM 0 HG21 VAL A 59 11.696 3.147 -0.336 1.00 0.16 H new ATOM 0 HG22 VAL A 59 10.831 2.897 1.199 1.00 0.16 H new ATOM 0 HG23 VAL A 59 12.550 2.457 1.065 1.00 0.16 H new ATOM 927 N ASP A 60 12.528 0.793 3.123 1.00 0.10 N ATOM 928 CA ASP A 60 13.829 0.785 3.856 1.00 0.12 C ATOM 929 C ASP A 60 13.866 -0.321 4.930 1.00 0.13 C ATOM 930 O ASP A 60 14.855 -1.013 5.073 1.00 0.15 O ATOM 931 CB ASP A 60 13.999 2.154 4.514 1.00 0.14 C ATOM 932 CG ASP A 60 14.476 3.168 3.469 1.00 0.16 C ATOM 933 OD1 ASP A 60 13.653 3.605 2.681 1.00 1.07 O ATOM 934 OD2 ASP A 60 15.652 3.491 3.476 1.00 1.08 O ATOM 0 H ASP A 60 11.793 1.359 3.547 1.00 0.10 H new ATOM 0 HA ASP A 60 14.639 0.583 3.156 1.00 0.12 H new ATOM 0 HB2 ASP A 60 13.054 2.480 4.948 1.00 0.14 H new ATOM 0 HB3 ASP A 60 14.719 2.090 5.330 1.00 0.14 H new ATOM 939 N ASP A 61 12.807 -0.501 5.677 1.00 0.13 N ATOM 940 CA ASP A 61 12.797 -1.567 6.736 1.00 0.15 C ATOM 941 C ASP A 61 12.110 -2.807 6.173 1.00 0.14 C ATOM 942 O ASP A 61 12.327 -3.916 6.622 1.00 0.19 O ATOM 943 CB ASP A 61 12.020 -1.067 7.954 1.00 0.16 C ATOM 944 CG ASP A 61 12.731 0.148 8.552 1.00 0.19 C ATOM 945 OD1 ASP A 61 13.759 0.530 8.017 1.00 1.07 O ATOM 946 OD2 ASP A 61 12.232 0.680 9.530 1.00 1.01 O ATOM 0 H ASP A 61 11.947 0.042 5.603 1.00 0.13 H new ATOM 0 HA ASP A 61 13.818 -1.807 7.033 1.00 0.15 H new ATOM 0 HB2 ASP A 61 11.003 -0.800 7.665 1.00 0.16 H new ATOM 0 HB3 ASP A 61 11.943 -1.859 8.699 1.00 0.16 H new ATOM 951 N ALA A 62 11.284 -2.613 5.181 1.00 0.11 N ATOM 952 CA ALA A 62 10.566 -3.749 4.535 1.00 0.12 C ATOM 953 C ALA A 62 11.090 -3.848 3.110 1.00 0.11 C ATOM 954 O ALA A 62 10.368 -4.120 2.173 1.00 0.12 O ATOM 955 CB ALA A 62 9.052 -3.484 4.531 1.00 0.14 C ATOM 0 H ALA A 62 11.073 -1.698 4.784 1.00 0.11 H new ATOM 0 HA ALA A 62 10.736 -4.679 5.077 1.00 0.12 H new ATOM 0 HB1 ALA A 62 8.538 -4.320 4.057 1.00 0.14 H new ATOM 0 HB2 ALA A 62 8.699 -3.375 5.556 1.00 0.14 H new ATOM 0 HB3 ALA A 62 8.844 -2.569 3.977 1.00 0.14 H new ATOM 961 N GLN A 63 12.353 -3.588 2.956 1.00 0.11 N ATOM 962 CA GLN A 63 12.976 -3.623 1.615 1.00 0.12 C ATOM 963 C GLN A 63 12.824 -5.013 1.004 1.00 0.12 C ATOM 964 O GLN A 63 12.915 -5.185 -0.192 1.00 0.14 O ATOM 965 CB GLN A 63 14.458 -3.246 1.749 1.00 0.13 C ATOM 966 CG GLN A 63 15.235 -4.339 2.490 1.00 0.15 C ATOM 967 CD GLN A 63 14.710 -4.474 3.924 1.00 0.77 C ATOM 968 OE1 GLN A 63 13.731 -5.150 4.162 1.00 1.47 O ATOM 969 NE2 GLN A 63 15.318 -3.847 4.898 1.00 1.43 N ATOM 0 H GLN A 63 12.989 -3.349 3.717 1.00 0.11 H new ATOM 0 HA GLN A 63 12.482 -2.910 0.955 1.00 0.12 H new ATOM 0 HB2 GLN A 63 14.890 -3.094 0.760 1.00 0.13 H new ATOM 0 HB3 GLN A 63 14.550 -2.301 2.285 1.00 0.13 H new ATOM 0 HG2 GLN A 63 15.133 -5.289 1.965 1.00 0.15 H new ATOM 0 HG3 GLN A 63 16.297 -4.096 2.504 1.00 0.15 H new ATOM 0 HE21 GLN A 63 16.141 -3.278 4.702 1.00 1.43 H new ATOM 0 HE22 GLN A 63 14.969 -3.928 5.853 1.00 1.43 H new ATOM 978 N ASP A 64 12.592 -6.009 1.808 1.00 0.13 N ATOM 979 CA ASP A 64 12.438 -7.373 1.248 1.00 0.13 C ATOM 980 C ASP A 64 11.160 -7.432 0.413 1.00 0.15 C ATOM 981 O ASP A 64 11.109 -8.074 -0.617 1.00 0.16 O ATOM 982 CB ASP A 64 12.369 -8.391 2.384 1.00 0.17 C ATOM 983 CG ASP A 64 11.345 -7.945 3.420 1.00 0.21 C ATOM 984 OD1 ASP A 64 10.200 -7.773 3.050 1.00 1.05 O ATOM 985 OD2 ASP A 64 11.723 -7.790 4.568 1.00 1.02 O ATOM 0 H ASP A 64 12.503 -5.937 2.822 1.00 0.13 H new ATOM 0 HA ASP A 64 13.294 -7.609 0.615 1.00 0.13 H new ATOM 0 HB2 ASP A 64 12.097 -9.370 1.990 1.00 0.17 H new ATOM 0 HB3 ASP A 64 13.349 -8.495 2.850 1.00 0.17 H new ATOM 990 N VAL A 65 10.126 -6.766 0.846 1.00 0.17 N ATOM 991 CA VAL A 65 8.857 -6.784 0.076 1.00 0.22 C ATOM 992 C VAL A 65 9.020 -5.938 -1.184 1.00 0.22 C ATOM 993 O VAL A 65 8.577 -6.302 -2.255 1.00 0.26 O ATOM 994 CB VAL A 65 7.739 -6.168 0.925 1.00 0.26 C ATOM 995 CG1 VAL A 65 6.388 -6.388 0.233 1.00 0.35 C ATOM 996 CG2 VAL A 65 7.727 -6.808 2.321 1.00 0.32 C ATOM 0 H VAL A 65 10.108 -6.210 1.701 1.00 0.17 H new ATOM 0 HA VAL A 65 8.610 -7.813 -0.186 1.00 0.22 H new ATOM 0 HB VAL A 65 7.916 -5.098 1.032 1.00 0.26 H new ATOM 0 HG11 VAL A 65 5.594 -5.950 0.837 1.00 0.35 H new ATOM 0 HG12 VAL A 65 6.401 -5.914 -0.749 1.00 0.35 H new ATOM 0 HG13 VAL A 65 6.208 -7.457 0.118 1.00 0.35 H new ATOM 0 HG21 VAL A 65 6.930 -6.365 2.918 1.00 0.32 H new ATOM 0 HG22 VAL A 65 7.557 -7.881 2.228 1.00 0.32 H new ATOM 0 HG23 VAL A 65 8.686 -6.634 2.809 1.00 0.32 H new ATOM 1006 N ALA A 66 9.625 -4.793 -1.047 1.00 0.19 N ATOM 1007 CA ALA A 66 9.795 -3.893 -2.216 1.00 0.22 C ATOM 1008 C ALA A 66 10.818 -4.467 -3.202 1.00 0.23 C ATOM 1009 O ALA A 66 10.635 -4.390 -4.399 1.00 0.26 O ATOM 1010 CB ALA A 66 10.239 -2.508 -1.735 1.00 0.25 C ATOM 0 H ALA A 66 10.011 -4.441 -0.171 1.00 0.19 H new ATOM 0 HA ALA A 66 8.840 -3.806 -2.734 1.00 0.22 H new ATOM 0 HB1 ALA A 66 10.364 -1.848 -2.593 1.00 0.25 H new ATOM 0 HB2 ALA A 66 9.483 -2.096 -1.066 1.00 0.25 H new ATOM 0 HB3 ALA A 66 11.186 -2.594 -1.203 1.00 0.25 H new ATOM 1016 N SER A 67 11.893 -5.040 -2.731 1.00 0.21 N ATOM 1017 CA SER A 67 12.882 -5.596 -3.696 1.00 0.23 C ATOM 1018 C SER A 67 12.202 -6.686 -4.529 1.00 0.23 C ATOM 1019 O SER A 67 12.461 -6.835 -5.706 1.00 0.24 O ATOM 1020 CB SER A 67 14.081 -6.180 -2.946 1.00 0.23 C ATOM 1021 OG SER A 67 13.656 -7.276 -2.147 1.00 0.22 O ATOM 0 H SER A 67 12.125 -5.146 -1.743 1.00 0.21 H new ATOM 0 HA SER A 67 13.240 -4.802 -4.351 1.00 0.23 H new ATOM 0 HB2 SER A 67 14.842 -6.507 -3.655 1.00 0.23 H new ATOM 0 HB3 SER A 67 14.538 -5.415 -2.318 1.00 0.23 H new ATOM 0 HG SER A 67 13.157 -6.942 -1.373 1.00 0.22 H new ATOM 1027 N GLU A 68 11.313 -7.429 -3.928 1.00 0.23 N ATOM 1028 CA GLU A 68 10.588 -8.494 -4.679 1.00 0.25 C ATOM 1029 C GLU A 68 9.767 -7.854 -5.806 1.00 0.22 C ATOM 1030 O GLU A 68 9.674 -8.384 -6.897 1.00 0.24 O ATOM 1031 CB GLU A 68 9.656 -9.240 -3.713 1.00 0.29 C ATOM 1032 CG GLU A 68 8.998 -10.430 -4.425 1.00 0.32 C ATOM 1033 CD GLU A 68 7.934 -11.051 -3.513 1.00 1.27 C ATOM 1034 OE1 GLU A 68 6.945 -10.386 -3.250 1.00 1.96 O ATOM 1035 OE2 GLU A 68 8.124 -12.182 -3.098 1.00 2.06 O ATOM 0 H GLU A 68 11.056 -7.344 -2.944 1.00 0.23 H new ATOM 0 HA GLU A 68 11.301 -9.196 -5.112 1.00 0.25 H new ATOM 0 HB2 GLU A 68 10.221 -9.591 -2.849 1.00 0.29 H new ATOM 0 HB3 GLU A 68 8.889 -8.561 -3.339 1.00 0.29 H new ATOM 0 HG2 GLU A 68 8.543 -10.101 -5.360 1.00 0.32 H new ATOM 0 HG3 GLU A 68 9.751 -11.175 -4.682 1.00 0.32 H new ATOM 1042 N ALA A 69 9.159 -6.723 -5.545 1.00 0.20 N ATOM 1043 CA ALA A 69 8.329 -6.050 -6.589 1.00 0.20 C ATOM 1044 C ALA A 69 9.198 -5.163 -7.485 1.00 0.19 C ATOM 1045 O ALA A 69 8.706 -4.555 -8.413 1.00 0.20 O ATOM 1046 CB ALA A 69 7.264 -5.185 -5.911 1.00 0.23 C ATOM 0 H ALA A 69 9.203 -6.236 -4.650 1.00 0.20 H new ATOM 0 HA ALA A 69 7.857 -6.816 -7.204 1.00 0.20 H new ATOM 0 HB1 ALA A 69 6.657 -4.693 -6.671 1.00 0.23 H new ATOM 0 HB2 ALA A 69 6.627 -5.813 -5.289 1.00 0.23 H new ATOM 0 HB3 ALA A 69 7.748 -4.432 -5.290 1.00 0.23 H new ATOM 1052 N GLU A 70 10.474 -5.066 -7.211 1.00 0.18 N ATOM 1053 CA GLU A 70 11.354 -4.198 -8.055 1.00 0.18 C ATOM 1054 C GLU A 70 10.787 -2.793 -8.082 1.00 0.17 C ATOM 1055 O GLU A 70 10.635 -2.202 -9.131 1.00 0.18 O ATOM 1056 CB GLU A 70 11.415 -4.709 -9.497 1.00 0.22 C ATOM 1057 CG GLU A 70 12.060 -6.084 -9.550 1.00 0.24 C ATOM 1058 CD GLU A 70 13.517 -5.999 -9.091 1.00 1.24 C ATOM 1059 OE1 GLU A 70 14.091 -4.927 -9.201 1.00 2.02 O ATOM 1060 OE2 GLU A 70 14.035 -7.007 -8.642 1.00 2.02 O ATOM 0 H GLU A 70 10.944 -5.547 -6.444 1.00 0.18 H new ATOM 0 HA GLU A 70 12.356 -4.213 -7.625 1.00 0.18 H new ATOM 0 HB2 GLU A 70 10.409 -4.757 -9.915 1.00 0.22 H new ATOM 0 HB3 GLU A 70 11.983 -4.011 -10.112 1.00 0.22 H new ATOM 0 HG2 GLU A 70 11.510 -6.777 -8.914 1.00 0.24 H new ATOM 0 HG3 GLU A 70 12.013 -6.478 -10.565 1.00 0.24 H new ATOM 1067 N VAL A 71 10.465 -2.241 -6.956 1.00 0.15 N ATOM 1068 CA VAL A 71 9.889 -0.877 -6.983 1.00 0.14 C ATOM 1069 C VAL A 71 10.929 0.072 -7.559 1.00 0.14 C ATOM 1070 O VAL A 71 12.085 0.055 -7.179 1.00 0.16 O ATOM 1071 CB VAL A 71 9.536 -0.436 -5.569 1.00 0.13 C ATOM 1072 CG1 VAL A 71 8.776 0.888 -5.635 1.00 0.14 C ATOM 1073 CG2 VAL A 71 8.658 -1.498 -4.908 1.00 0.15 C ATOM 0 H VAL A 71 10.572 -2.664 -6.034 1.00 0.15 H new ATOM 0 HA VAL A 71 8.986 -0.869 -7.593 1.00 0.14 H new ATOM 0 HB VAL A 71 10.447 -0.308 -4.984 1.00 0.13 H new ATOM 0 HG11 VAL A 71 8.519 1.211 -4.626 1.00 0.14 H new ATOM 0 HG12 VAL A 71 9.402 1.644 -6.110 1.00 0.14 H new ATOM 0 HG13 VAL A 71 7.864 0.755 -6.217 1.00 0.14 H new ATOM 0 HG21 VAL A 71 8.405 -1.183 -3.896 1.00 0.15 H new ATOM 0 HG22 VAL A 71 7.744 -1.626 -5.487 1.00 0.15 H new ATOM 0 HG23 VAL A 71 9.198 -2.444 -4.869 1.00 0.15 H new ATOM 1083 N LYS A 72 10.528 0.886 -8.497 1.00 0.15 N ATOM 1084 CA LYS A 72 11.477 1.832 -9.134 1.00 0.16 C ATOM 1085 C LYS A 72 11.262 3.243 -8.571 1.00 0.15 C ATOM 1086 O LYS A 72 12.068 4.126 -8.778 1.00 0.16 O ATOM 1087 CB LYS A 72 11.219 1.831 -10.641 1.00 0.19 C ATOM 1088 CG LYS A 72 11.426 0.414 -11.212 1.00 0.23 C ATOM 1089 CD LYS A 72 12.917 0.117 -11.385 1.00 0.74 C ATOM 1090 CE LYS A 72 13.068 -1.202 -12.145 1.00 0.88 C ATOM 1091 NZ LYS A 72 14.512 -1.504 -12.343 1.00 1.60 N ATOM 0 H LYS A 72 9.572 0.934 -8.850 1.00 0.15 H new ATOM 0 HA LYS A 72 12.503 1.528 -8.929 1.00 0.16 H new ATOM 0 HB2 LYS A 72 10.203 2.169 -10.844 1.00 0.19 H new ATOM 0 HB3 LYS A 72 11.892 2.532 -11.134 1.00 0.19 H new ATOM 0 HG2 LYS A 72 10.978 -0.322 -10.545 1.00 0.23 H new ATOM 0 HG3 LYS A 72 10.918 0.325 -12.172 1.00 0.23 H new ATOM 0 HD2 LYS A 72 13.403 0.926 -11.931 1.00 0.74 H new ATOM 0 HD3 LYS A 72 13.405 0.051 -10.412 1.00 0.74 H new ATOM 0 HE2 LYS A 72 12.590 -2.009 -11.590 1.00 0.88 H new ATOM 0 HE3 LYS A 72 12.565 -1.137 -13.110 1.00 0.88 H new ATOM 0 HZ1 LYS A 72 14.611 -2.401 -12.860 1.00 1.60 H new ATOM 0 HZ2 LYS A 72 14.955 -0.738 -12.890 1.00 1.60 H new ATOM 0 HZ3 LYS A 72 14.980 -1.584 -11.418 1.00 1.60 H new ATOM 1105 N ALA A 73 10.188 3.472 -7.859 1.00 0.13 N ATOM 1106 CA ALA A 73 9.963 4.839 -7.295 1.00 0.13 C ATOM 1107 C ALA A 73 8.906 4.796 -6.177 1.00 0.11 C ATOM 1108 O ALA A 73 8.056 3.932 -6.144 1.00 0.12 O ATOM 1109 CB ALA A 73 9.511 5.782 -8.429 1.00 0.14 C ATOM 0 H ALA A 73 9.466 2.784 -7.645 1.00 0.13 H new ATOM 0 HA ALA A 73 10.892 5.209 -6.863 1.00 0.13 H new ATOM 0 HB1 ALA A 73 9.345 6.781 -8.027 1.00 0.14 H new ATOM 0 HB2 ALA A 73 10.283 5.824 -9.197 1.00 0.14 H new ATOM 0 HB3 ALA A 73 8.585 5.408 -8.866 1.00 0.14 H new ATOM 1115 N THR A 74 8.943 5.758 -5.281 1.00 0.11 N ATOM 1116 CA THR A 74 7.939 5.825 -4.168 1.00 0.11 C ATOM 1117 C THR A 74 7.337 7.242 -4.162 1.00 0.12 C ATOM 1118 O THR A 74 7.993 8.173 -4.566 1.00 0.15 O ATOM 1119 CB THR A 74 8.653 5.563 -2.823 1.00 0.12 C ATOM 1120 OG1 THR A 74 9.489 6.660 -2.508 1.00 0.15 O ATOM 1121 CG2 THR A 74 9.491 4.289 -2.907 1.00 0.14 C ATOM 0 H THR A 74 9.635 6.508 -5.274 1.00 0.11 H new ATOM 0 HA THR A 74 7.157 5.079 -4.308 1.00 0.11 H new ATOM 0 HB THR A 74 7.901 5.440 -2.043 1.00 0.12 H new ATOM 0 HG1 THR A 74 10.416 6.442 -2.741 1.00 0.15 H new ATOM 0 HG21 THR A 74 9.988 4.117 -1.952 1.00 0.14 H new ATOM 0 HG22 THR A 74 8.844 3.442 -3.137 1.00 0.14 H new ATOM 0 HG23 THR A 74 10.240 4.397 -3.692 1.00 0.14 H new ATOM 1129 N PRO A 75 6.127 7.435 -3.679 1.00 0.13 N ATOM 1130 CA PRO A 75 5.256 6.341 -3.163 1.00 0.10 C ATOM 1131 C PRO A 75 4.608 5.504 -4.275 1.00 0.09 C ATOM 1132 O PRO A 75 4.160 6.020 -5.281 1.00 0.10 O ATOM 1133 CB PRO A 75 4.205 7.136 -2.359 1.00 0.12 C ATOM 1134 CG PRO A 75 4.227 8.589 -2.863 1.00 0.15 C ATOM 1135 CD PRO A 75 5.548 8.808 -3.619 1.00 0.16 C ATOM 0 HA PRO A 75 5.803 5.598 -2.583 1.00 0.10 H new ATOM 0 HB2 PRO A 75 3.214 6.701 -2.491 1.00 0.12 H new ATOM 0 HB3 PRO A 75 4.431 7.098 -1.293 1.00 0.12 H new ATOM 0 HG2 PRO A 75 3.377 8.778 -3.518 1.00 0.15 H new ATOM 0 HG3 PRO A 75 4.146 9.284 -2.027 1.00 0.15 H new ATOM 0 HD2 PRO A 75 5.381 9.220 -4.614 1.00 0.16 H new ATOM 0 HD3 PRO A 75 6.205 9.501 -3.093 1.00 0.16 H new ATOM 1143 N THR A 76 4.523 4.212 -4.066 1.00 0.09 N ATOM 1144 CA THR A 76 3.868 3.307 -5.063 1.00 0.09 C ATOM 1145 C THR A 76 2.789 2.512 -4.347 1.00 0.10 C ATOM 1146 O THR A 76 2.995 2.003 -3.263 1.00 0.12 O ATOM 1147 CB THR A 76 4.880 2.329 -5.672 1.00 0.10 C ATOM 1148 OG1 THR A 76 5.906 3.053 -6.332 1.00 0.11 O ATOM 1149 CG2 THR A 76 4.163 1.405 -6.668 1.00 0.13 C ATOM 0 H THR A 76 4.884 3.741 -3.237 1.00 0.09 H new ATOM 0 HA THR A 76 3.447 3.911 -5.867 1.00 0.09 H new ATOM 0 HB THR A 76 5.325 1.726 -4.881 1.00 0.10 H new ATOM 0 HG1 THR A 76 6.655 3.194 -5.716 1.00 0.11 H new ATOM 0 HG21 THR A 76 4.882 0.710 -7.101 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.384 0.846 -6.150 1.00 0.13 H new ATOM 0 HG23 THR A 76 3.714 2.003 -7.461 1.00 0.13 H new ATOM 1157 N PHE A 77 1.640 2.406 -4.944 1.00 0.10 N ATOM 1158 CA PHE A 77 0.521 1.639 -4.317 1.00 0.10 C ATOM 1159 C PHE A 77 0.271 0.376 -5.136 1.00 0.10 C ATOM 1160 O PHE A 77 0.164 0.427 -6.346 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.745 2.498 -4.304 1.00 0.13 C ATOM 1162 CG PHE A 77 -0.492 3.754 -3.505 1.00 0.14 C ATOM 1163 CD1 PHE A 77 0.002 4.893 -4.148 1.00 0.14 C ATOM 1164 CD2 PHE A 77 -0.754 3.782 -2.126 1.00 0.18 C ATOM 1165 CE1 PHE A 77 0.237 6.065 -3.417 1.00 0.16 C ATOM 1166 CE2 PHE A 77 -0.518 4.955 -1.394 1.00 0.20 C ATOM 1167 CZ PHE A 77 -0.022 6.097 -2.040 1.00 0.19 C ATOM 0 H PHE A 77 1.421 2.821 -5.850 1.00 0.10 H new ATOM 0 HA PHE A 77 0.783 1.372 -3.293 1.00 0.10 H new ATOM 0 HB2 PHE A 77 -1.034 2.754 -5.323 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.573 1.938 -3.869 1.00 0.13 H new ATOM 0 HD1 PHE A 77 0.203 4.869 -5.209 1.00 0.14 H new ATOM 0 HD2 PHE A 77 -1.136 2.902 -1.630 1.00 0.18 H new ATOM 0 HE1 PHE A 77 0.618 6.944 -3.915 1.00 0.16 H new ATOM 0 HE2 PHE A 77 -0.718 4.979 -0.333 1.00 0.20 H new ATOM 0 HZ PHE A 77 0.160 7.000 -1.477 1.00 0.19 H new ATOM 1177 N GLN A 78 0.157 -0.762 -4.492 1.00 0.09 N ATOM 1178 CA GLN A 78 -0.098 -2.031 -5.241 1.00 0.09 C ATOM 1179 C GLN A 78 -1.360 -2.666 -4.703 1.00 0.08 C ATOM 1180 O GLN A 78 -1.644 -2.623 -3.521 1.00 0.09 O ATOM 1181 CB GLN A 78 1.078 -2.997 -5.081 1.00 0.09 C ATOM 1182 CG GLN A 78 2.283 -2.451 -5.849 1.00 0.12 C ATOM 1183 CD GLN A 78 3.400 -3.492 -5.863 1.00 0.15 C ATOM 1184 OE1 GLN A 78 3.143 -4.677 -5.928 1.00 0.27 O ATOM 1185 NE2 GLN A 78 4.640 -3.095 -5.805 1.00 0.29 N ATOM 0 H GLN A 78 0.230 -0.865 -3.480 1.00 0.09 H new ATOM 0 HA GLN A 78 -0.213 -1.807 -6.302 1.00 0.09 H new ATOM 0 HB2 GLN A 78 1.327 -3.115 -4.026 1.00 0.09 H new ATOM 0 HB3 GLN A 78 0.808 -3.984 -5.457 1.00 0.09 H new ATOM 0 HG2 GLN A 78 1.993 -2.201 -6.870 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.636 -1.531 -5.384 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.855 -2.099 -5.750 1.00 0.29 H new ATOM 0 HE22 GLN A 78 5.396 -3.780 -5.814 1.00 0.29 H new ATOM 1194 N PHE A 79 -2.134 -3.234 -5.579 1.00 0.07 N ATOM 1195 CA PHE A 79 -3.419 -3.861 -5.161 1.00 0.07 C ATOM 1196 C PHE A 79 -3.345 -5.372 -5.248 1.00 0.07 C ATOM 1197 O PHE A 79 -2.940 -5.933 -6.247 1.00 0.08 O ATOM 1198 CB PHE A 79 -4.519 -3.344 -6.080 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.664 -1.873 -5.817 1.00 0.09 C ATOM 1200 CD1 PHE A 79 -3.825 -0.967 -6.466 1.00 0.08 C ATOM 1201 CD2 PHE A 79 -5.603 -1.420 -4.892 1.00 0.12 C ATOM 1202 CE1 PHE A 79 -3.929 0.399 -6.197 1.00 0.09 C ATOM 1203 CE2 PHE A 79 -5.706 -0.055 -4.613 1.00 0.14 C ATOM 1204 CZ PHE A 79 -4.869 0.856 -5.266 1.00 0.12 C ATOM 0 H PHE A 79 -1.932 -3.293 -6.577 1.00 0.07 H new ATOM 0 HA PHE A 79 -3.628 -3.600 -4.124 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.264 -3.525 -7.124 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.457 -3.864 -5.887 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -3.094 -1.323 -7.177 1.00 0.08 H new ATOM 0 HD2 PHE A 79 -6.251 -2.124 -4.391 1.00 0.12 H new ATOM 0 HE1 PHE A 79 -3.286 1.101 -6.706 1.00 0.09 H new ATOM 0 HE2 PHE A 79 -6.431 0.297 -3.894 1.00 0.14 H new ATOM 0 HZ PHE A 79 -4.948 1.912 -5.052 1.00 0.12 H new ATOM 1214 N PHE A 80 -3.764 -6.029 -4.198 1.00 0.08 N ATOM 1215 CA PHE A 80 -3.764 -7.519 -4.167 1.00 0.08 C ATOM 1216 C PHE A 80 -5.145 -8.017 -3.798 1.00 0.09 C ATOM 1217 O PHE A 80 -5.849 -7.409 -3.018 1.00 0.12 O ATOM 1218 CB PHE A 80 -2.767 -8.029 -3.133 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.374 -7.774 -3.622 1.00 0.10 C ATOM 1220 CD1 PHE A 80 -0.738 -6.556 -3.352 1.00 0.11 C ATOM 1221 CD2 PHE A 80 -0.711 -8.769 -4.343 1.00 0.12 C ATOM 1222 CE1 PHE A 80 0.564 -6.338 -3.807 1.00 0.13 C ATOM 1223 CE2 PHE A 80 0.590 -8.553 -4.796 1.00 0.14 C ATOM 1224 CZ PHE A 80 1.229 -7.337 -4.529 1.00 0.15 C ATOM 0 H PHE A 80 -4.112 -5.587 -3.347 1.00 0.08 H new ATOM 0 HA PHE A 80 -3.481 -7.887 -5.153 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.927 -7.528 -2.178 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -2.916 -9.095 -2.962 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.253 -5.788 -2.794 1.00 0.11 H new ATOM 0 HD2 PHE A 80 -1.206 -9.706 -4.550 1.00 0.12 H new ATOM 0 HE1 PHE A 80 1.058 -5.400 -3.602 1.00 0.13 H new ATOM 0 HE2 PHE A 80 1.104 -9.323 -5.352 1.00 0.14 H new ATOM 0 HZ PHE A 80 2.236 -7.169 -4.880 1.00 0.15 H new ATOM 1234 N LYS A 81 -5.542 -9.124 -4.344 1.00 0.09 N ATOM 1235 CA LYS A 81 -6.878 -9.664 -4.009 1.00 0.12 C ATOM 1236 C LYS A 81 -6.784 -11.192 -4.077 1.00 0.11 C ATOM 1237 O LYS A 81 -6.267 -11.746 -5.027 1.00 0.13 O ATOM 1238 CB LYS A 81 -7.874 -9.118 -5.034 1.00 0.17 C ATOM 1239 CG LYS A 81 -9.305 -9.335 -4.546 1.00 0.26 C ATOM 1240 CD LYS A 81 -10.283 -8.921 -5.649 1.00 0.73 C ATOM 1241 CE LYS A 81 -11.694 -8.780 -5.075 1.00 1.02 C ATOM 1242 NZ LYS A 81 -12.618 -8.369 -6.170 1.00 1.68 N ATOM 0 H LYS A 81 -5.000 -9.678 -5.007 1.00 0.09 H new ATOM 0 HA LYS A 81 -7.210 -9.372 -3.013 1.00 0.12 H new ATOM 0 HB2 LYS A 81 -7.694 -8.055 -5.196 1.00 0.17 H new ATOM 0 HB3 LYS A 81 -7.730 -9.615 -5.993 1.00 0.17 H new ATOM 0 HG2 LYS A 81 -9.457 -10.382 -4.283 1.00 0.26 H new ATOM 0 HG3 LYS A 81 -9.487 -8.750 -3.644 1.00 0.26 H new ATOM 0 HD2 LYS A 81 -9.966 -7.977 -6.091 1.00 0.73 H new ATOM 0 HD3 LYS A 81 -10.279 -9.664 -6.447 1.00 0.73 H new ATOM 0 HE2 LYS A 81 -12.021 -9.724 -4.640 1.00 1.02 H new ATOM 0 HE3 LYS A 81 -11.704 -8.040 -4.275 1.00 1.02 H new ATOM 0 HZ1 LYS A 81 -13.582 -8.270 -5.792 1.00 1.68 H new ATOM 0 HZ2 LYS A 81 -12.305 -7.459 -6.565 1.00 1.68 H new ATOM 0 HZ3 LYS A 81 -12.612 -9.091 -6.918 1.00 1.68 H new ATOM 1256 N LYS A 82 -7.246 -11.874 -3.066 1.00 0.12 N ATOM 1257 CA LYS A 82 -7.162 -13.367 -3.059 1.00 0.13 C ATOM 1258 C LYS A 82 -5.694 -13.781 -3.213 1.00 0.13 C ATOM 1259 O LYS A 82 -5.391 -14.830 -3.747 1.00 0.17 O ATOM 1260 CB LYS A 82 -7.990 -13.977 -4.205 1.00 0.16 C ATOM 1261 CG LYS A 82 -9.480 -13.672 -4.001 1.00 0.20 C ATOM 1262 CD LYS A 82 -10.332 -14.656 -4.812 1.00 0.32 C ATOM 1263 CE LYS A 82 -11.770 -14.139 -4.903 1.00 0.31 C ATOM 1264 NZ LYS A 82 -12.635 -15.202 -5.484 1.00 1.22 N ATOM 0 H LYS A 82 -7.680 -11.463 -2.240 1.00 0.12 H new ATOM 0 HA LYS A 82 -7.566 -13.736 -2.116 1.00 0.13 H new ATOM 0 HB2 LYS A 82 -7.656 -13.573 -5.160 1.00 0.16 H new ATOM 0 HB3 LYS A 82 -7.834 -15.055 -4.243 1.00 0.16 H new ATOM 0 HG2 LYS A 82 -9.733 -13.745 -2.943 1.00 0.20 H new ATOM 0 HG3 LYS A 82 -9.696 -12.650 -4.311 1.00 0.20 H new ATOM 0 HD2 LYS A 82 -9.914 -14.776 -5.812 1.00 0.32 H new ATOM 0 HD3 LYS A 82 -10.318 -15.639 -4.341 1.00 0.32 H new ATOM 0 HE2 LYS A 82 -12.132 -13.859 -3.914 1.00 0.31 H new ATOM 0 HE3 LYS A 82 -11.809 -13.243 -5.522 1.00 0.31 H new ATOM 0 HZ1 LYS A 82 -13.614 -14.856 -5.548 1.00 1.22 H new ATOM 0 HZ2 LYS A 82 -12.292 -15.448 -6.434 1.00 1.22 H new ATOM 0 HZ3 LYS A 82 -12.605 -16.045 -4.876 1.00 1.22 H new ATOM 1278 N GLY A 83 -4.779 -12.973 -2.750 1.00 0.13 N ATOM 1279 CA GLY A 83 -3.338 -13.331 -2.871 1.00 0.16 C ATOM 1280 C GLY A 83 -2.844 -13.098 -4.303 1.00 0.16 C ATOM 1281 O GLY A 83 -1.819 -13.620 -4.694 1.00 0.23 O ATOM 0 H GLY A 83 -4.968 -12.081 -2.293 1.00 0.13 H new ATOM 0 HA2 GLY A 83 -2.749 -12.733 -2.175 1.00 0.16 H new ATOM 0 HA3 GLY A 83 -3.193 -14.376 -2.596 1.00 0.16 H new ATOM 1285 N GLN A 84 -3.555 -12.318 -5.090 1.00 0.12 N ATOM 1286 CA GLN A 84 -3.111 -12.057 -6.502 1.00 0.15 C ATOM 1287 C GLN A 84 -3.037 -10.553 -6.770 1.00 0.12 C ATOM 1288 O GLN A 84 -3.885 -9.800 -6.353 1.00 0.13 O ATOM 1289 CB GLN A 84 -4.108 -12.681 -7.477 1.00 0.20 C ATOM 1290 CG GLN A 84 -4.074 -14.201 -7.341 1.00 0.33 C ATOM 1291 CD GLN A 84 -4.971 -14.815 -8.412 1.00 0.97 C ATOM 1292 OE1 GLN A 84 -4.613 -15.795 -9.035 1.00 0.95 O ATOM 1293 NE2 GLN A 84 -6.134 -14.272 -8.657 1.00 2.07 N ATOM 0 H GLN A 84 -4.420 -11.853 -4.817 1.00 0.12 H new ATOM 0 HA GLN A 84 -2.124 -12.497 -6.640 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -5.112 -12.310 -7.273 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -3.863 -12.392 -8.499 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -3.053 -14.566 -7.450 1.00 0.33 H new ATOM 0 HG3 GLN A 84 -4.414 -14.498 -6.349 1.00 0.33 H new ATOM 0 HE21 GLN A 84 -6.433 -13.449 -8.133 1.00 2.07 H new ATOM 0 HE22 GLN A 84 -6.743 -14.671 -9.372 1.00 2.07 H new ATOM 1302 N LYS A 85 -2.040 -10.121 -7.497 1.00 0.12 N ATOM 1303 CA LYS A 85 -1.905 -8.668 -7.820 1.00 0.12 C ATOM 1304 C LYS A 85 -2.853 -8.327 -8.969 1.00 0.14 C ATOM 1305 O LYS A 85 -2.879 -8.997 -9.981 1.00 0.21 O ATOM 1306 CB LYS A 85 -0.452 -8.393 -8.233 1.00 0.17 C ATOM 1307 CG LYS A 85 -0.261 -6.908 -8.557 1.00 0.20 C ATOM 1308 CD LYS A 85 1.185 -6.665 -9.020 1.00 0.28 C ATOM 1309 CE LYS A 85 1.451 -5.159 -9.106 1.00 1.28 C ATOM 1310 NZ LYS A 85 2.831 -4.908 -9.622 1.00 1.82 N ATOM 0 H LYS A 85 -1.308 -10.716 -7.884 1.00 0.12 H new ATOM 0 HA LYS A 85 -2.158 -8.055 -6.955 1.00 0.12 H new ATOM 0 HB2 LYS A 85 0.223 -8.686 -7.429 1.00 0.17 H new ATOM 0 HB3 LYS A 85 -0.194 -8.998 -9.102 1.00 0.17 H new ATOM 0 HG2 LYS A 85 -0.960 -6.602 -9.336 1.00 0.20 H new ATOM 0 HG3 LYS A 85 -0.479 -6.302 -7.677 1.00 0.20 H new ATOM 0 HD2 LYS A 85 1.883 -7.129 -8.323 1.00 0.28 H new ATOM 0 HD3 LYS A 85 1.349 -7.130 -9.992 1.00 0.28 H new ATOM 0 HE2 LYS A 85 0.718 -4.690 -9.763 1.00 1.28 H new ATOM 0 HE3 LYS A 85 1.334 -4.705 -8.122 1.00 1.28 H new ATOM 0 HZ1 LYS A 85 3.000 -3.883 -9.676 1.00 1.82 H new ATOM 0 HZ2 LYS A 85 3.526 -5.340 -8.980 1.00 1.82 H new ATOM 0 HZ3 LYS A 85 2.929 -5.326 -10.569 1.00 1.82 H new ATOM 1324 N VAL A 86 -3.645 -7.291 -8.809 1.00 0.13 N ATOM 1325 CA VAL A 86 -4.606 -6.889 -9.884 1.00 0.18 C ATOM 1326 C VAL A 86 -4.395 -5.418 -10.259 1.00 0.17 C ATOM 1327 O VAL A 86 -5.134 -4.872 -11.055 1.00 0.22 O ATOM 1328 CB VAL A 86 -6.048 -7.067 -9.388 1.00 0.25 C ATOM 1329 CG1 VAL A 86 -6.389 -8.554 -9.231 1.00 0.30 C ATOM 1330 CG2 VAL A 86 -6.210 -6.368 -8.037 1.00 0.26 C ATOM 0 H VAL A 86 -3.666 -6.705 -7.975 1.00 0.13 H new ATOM 0 HA VAL A 86 -4.431 -7.519 -10.756 1.00 0.18 H new ATOM 0 HB VAL A 86 -6.724 -6.628 -10.121 1.00 0.25 H new ATOM 0 HG11 VAL A 86 -7.415 -8.657 -8.879 1.00 0.30 H new ATOM 0 HG12 VAL A 86 -6.284 -9.055 -10.193 1.00 0.30 H new ATOM 0 HG13 VAL A 86 -5.710 -9.009 -8.509 1.00 0.30 H new ATOM 0 HG21 VAL A 86 -7.233 -6.493 -7.683 1.00 0.26 H new ATOM 0 HG22 VAL A 86 -5.520 -6.806 -7.316 1.00 0.26 H new ATOM 0 HG23 VAL A 86 -5.992 -5.306 -8.148 1.00 0.26 H new ATOM 1340 N GLY A 87 -3.418 -4.750 -9.700 1.00 0.14 N ATOM 1341 CA GLY A 87 -3.242 -3.313 -10.075 1.00 0.17 C ATOM 1342 C GLY A 87 -2.048 -2.678 -9.363 1.00 0.12 C ATOM 1343 O GLY A 87 -1.614 -3.120 -8.318 1.00 0.17 O ATOM 0 H GLY A 87 -2.753 -5.121 -9.021 1.00 0.14 H new ATOM 0 HA2 GLY A 87 -3.105 -3.234 -11.153 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.148 -2.760 -9.827 1.00 0.17 H new ATOM 1347 N GLU A 88 -1.528 -1.623 -9.939 1.00 0.11 N ATOM 1348 CA GLU A 88 -0.373 -0.905 -9.330 1.00 0.13 C ATOM 1349 C GLU A 88 -0.199 0.450 -10.001 1.00 0.11 C ATOM 1350 O GLU A 88 -0.466 0.609 -11.178 1.00 0.14 O ATOM 1351 CB GLU A 88 0.909 -1.734 -9.498 1.00 0.21 C ATOM 1352 CG GLU A 88 2.151 -0.913 -9.104 1.00 0.58 C ATOM 1353 CD GLU A 88 2.580 0.016 -10.249 1.00 1.13 C ATOM 1354 OE1 GLU A 88 2.026 -0.105 -11.330 1.00 1.93 O ATOM 1355 OE2 GLU A 88 3.458 0.833 -10.021 1.00 1.87 O ATOM 0 H GLU A 88 -1.861 -1.226 -10.817 1.00 0.11 H new ATOM 0 HA GLU A 88 -0.566 -0.759 -8.267 1.00 0.13 H new ATOM 0 HB2 GLU A 88 0.850 -2.631 -8.881 1.00 0.21 H new ATOM 0 HB3 GLU A 88 1.000 -2.064 -10.533 1.00 0.21 H new ATOM 0 HG2 GLU A 88 1.934 -0.323 -8.213 1.00 0.58 H new ATOM 0 HG3 GLU A 88 2.970 -1.585 -8.849 1.00 0.58 H new ATOM 1362 N PHE A 89 0.293 1.417 -9.277 1.00 0.10 N ATOM 1363 CA PHE A 89 0.535 2.746 -9.907 1.00 0.09 C ATOM 1364 C PHE A 89 1.459 3.575 -9.008 1.00 0.10 C ATOM 1365 O PHE A 89 1.616 3.297 -7.835 1.00 0.10 O ATOM 1366 CB PHE A 89 -0.785 3.491 -10.143 1.00 0.11 C ATOM 1367 CG PHE A 89 -1.380 4.001 -8.848 1.00 0.10 C ATOM 1368 CD1 PHE A 89 -0.873 5.176 -8.282 1.00 0.11 C ATOM 1369 CD2 PHE A 89 -2.449 3.334 -8.231 1.00 0.12 C ATOM 1370 CE1 PHE A 89 -1.432 5.692 -7.108 1.00 0.13 C ATOM 1371 CE2 PHE A 89 -3.005 3.847 -7.048 1.00 0.13 C ATOM 1372 CZ PHE A 89 -2.496 5.029 -6.490 1.00 0.14 C ATOM 0 H PHE A 89 0.536 1.347 -8.289 1.00 0.10 H new ATOM 0 HA PHE A 89 1.011 2.593 -10.876 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.614 4.328 -10.820 1.00 0.11 H new ATOM 0 HB3 PHE A 89 -1.496 2.825 -10.633 1.00 0.11 H new ATOM 0 HD1 PHE A 89 -0.046 5.687 -8.754 1.00 0.11 H new ATOM 0 HD2 PHE A 89 -2.844 2.427 -8.665 1.00 0.12 H new ATOM 0 HE1 PHE A 89 -1.041 6.603 -6.679 1.00 0.13 H new ATOM 0 HE2 PHE A 89 -3.824 3.332 -6.568 1.00 0.13 H new ATOM 0 HZ PHE A 89 -2.926 5.427 -5.583 1.00 0.14 H new ATOM 1382 N SER A 90 2.079 4.588 -9.564 1.00 0.10 N ATOM 1383 CA SER A 90 3.014 5.462 -8.780 1.00 0.10 C ATOM 1384 C SER A 90 2.599 6.919 -8.918 1.00 0.09 C ATOM 1385 O SER A 90 1.884 7.289 -9.827 1.00 0.11 O ATOM 1386 CB SER A 90 4.437 5.317 -9.308 1.00 0.11 C ATOM 1387 OG SER A 90 4.466 5.694 -10.677 1.00 0.12 O ATOM 0 H SER A 90 1.976 4.852 -10.544 1.00 0.10 H new ATOM 0 HA SER A 90 2.973 5.156 -7.735 1.00 0.10 H new ATOM 0 HB2 SER A 90 5.118 5.943 -8.731 1.00 0.11 H new ATOM 0 HB3 SER A 90 4.777 4.288 -9.194 1.00 0.11 H new ATOM 0 HG SER A 90 5.379 5.604 -11.022 1.00 0.12 H new ATOM 1393 N GLY A 91 3.051 7.747 -8.014 1.00 0.09 N ATOM 1394 CA GLY A 91 2.704 9.199 -8.061 1.00 0.09 C ATOM 1395 C GLY A 91 1.991 9.580 -6.766 1.00 0.10 C ATOM 1396 O GLY A 91 1.178 8.835 -6.257 1.00 0.12 O ATOM 0 H GLY A 91 3.653 7.477 -7.236 1.00 0.09 H new ATOM 0 HA2 GLY A 91 3.606 9.798 -8.185 1.00 0.09 H new ATOM 0 HA3 GLY A 91 2.064 9.406 -8.919 1.00 0.09 H new ATOM 1400 N ALA A 92 2.301 10.722 -6.214 1.00 0.11 N ATOM 1401 CA ALA A 92 1.656 11.135 -4.937 1.00 0.14 C ATOM 1402 C ALA A 92 0.234 11.653 -5.190 1.00 0.13 C ATOM 1403 O ALA A 92 -0.067 12.804 -4.940 1.00 0.17 O ATOM 1404 CB ALA A 92 2.510 12.243 -4.304 1.00 0.18 C ATOM 0 H ALA A 92 2.975 11.387 -6.594 1.00 0.11 H new ATOM 0 HA ALA A 92 1.587 10.277 -4.268 1.00 0.14 H new ATOM 0 HB1 ALA A 92 2.056 12.561 -3.366 1.00 0.18 H new ATOM 0 HB2 ALA A 92 3.513 11.863 -4.111 1.00 0.18 H new ATOM 0 HB3 ALA A 92 2.568 13.092 -4.985 1.00 0.18 H new ATOM 1410 N ASN A 93 -0.657 10.792 -5.639 1.00 0.12 N ATOM 1411 CA ASN A 93 -2.078 11.210 -5.871 1.00 0.14 C ATOM 1412 C ASN A 93 -2.976 10.387 -4.949 1.00 0.13 C ATOM 1413 O ASN A 93 -3.262 9.233 -5.201 1.00 0.14 O ATOM 1414 CB ASN A 93 -2.478 10.961 -7.326 1.00 0.16 C ATOM 1415 CG ASN A 93 -3.865 11.564 -7.571 1.00 0.20 C ATOM 1416 OD1 ASN A 93 -4.870 10.997 -7.201 1.00 0.88 O ATOM 1417 ND2 ASN A 93 -3.958 12.709 -8.178 1.00 0.75 N ATOM 0 H ASN A 93 -0.457 9.815 -5.854 1.00 0.12 H new ATOM 0 HA ASN A 93 -2.185 12.274 -5.661 1.00 0.14 H new ATOM 0 HB2 ASN A 93 -1.748 11.410 -7.999 1.00 0.16 H new ATOM 0 HB3 ASN A 93 -2.490 9.891 -7.536 1.00 0.16 H new ATOM 0 HD21 ASN A 93 -4.874 13.127 -8.341 1.00 0.75 H new ATOM 0 HD22 ASN A 93 -3.115 13.190 -8.491 1.00 0.75 H new ATOM 1424 N LYS A 94 -3.409 10.970 -3.874 1.00 0.14 N ATOM 1425 CA LYS A 94 -4.277 10.230 -2.920 1.00 0.15 C ATOM 1426 C LYS A 94 -5.668 9.962 -3.522 1.00 0.15 C ATOM 1427 O LYS A 94 -6.280 8.947 -3.255 1.00 0.15 O ATOM 1428 CB LYS A 94 -4.415 11.066 -1.646 1.00 0.18 C ATOM 1429 CG LYS A 94 -4.865 12.518 -1.981 1.00 0.18 C ATOM 1430 CD LYS A 94 -3.695 13.509 -1.816 1.00 0.24 C ATOM 1431 CE LYS A 94 -4.240 14.942 -1.854 1.00 0.59 C ATOM 1432 NZ LYS A 94 -3.114 15.928 -1.805 1.00 1.06 N ATOM 0 H LYS A 94 -3.199 11.933 -3.611 1.00 0.14 H new ATOM 0 HA LYS A 94 -3.822 9.265 -2.698 1.00 0.15 H new ATOM 0 HB2 LYS A 94 -5.140 10.601 -0.978 1.00 0.18 H new ATOM 0 HB3 LYS A 94 -3.463 11.089 -1.116 1.00 0.18 H new ATOM 0 HG2 LYS A 94 -5.241 12.560 -3.003 1.00 0.18 H new ATOM 0 HG3 LYS A 94 -5.687 12.808 -1.327 1.00 0.18 H new ATOM 0 HD2 LYS A 94 -3.179 13.328 -0.873 1.00 0.24 H new ATOM 0 HD3 LYS A 94 -2.964 13.364 -2.612 1.00 0.24 H new ATOM 0 HE2 LYS A 94 -4.824 15.092 -2.762 1.00 0.59 H new ATOM 0 HE3 LYS A 94 -4.912 15.105 -1.012 1.00 0.59 H new ATOM 0 HZ1 LYS A 94 -3.497 16.894 -1.831 1.00 1.06 H new ATOM 0 HZ2 LYS A 94 -2.573 15.794 -0.927 1.00 1.06 H new ATOM 0 HZ3 LYS A 94 -2.488 15.781 -2.623 1.00 1.06 H new ATOM 1446 N GLU A 95 -6.168 10.851 -4.338 1.00 0.15 N ATOM 1447 CA GLU A 95 -7.511 10.635 -4.948 1.00 0.15 C ATOM 1448 C GLU A 95 -7.472 9.399 -5.849 1.00 0.15 C ATOM 1449 O GLU A 95 -8.461 8.721 -6.047 1.00 0.16 O ATOM 1450 CB GLU A 95 -7.897 11.863 -5.779 1.00 0.17 C ATOM 1451 CG GLU A 95 -8.023 13.091 -4.872 1.00 0.19 C ATOM 1452 CD GLU A 95 -9.246 12.939 -3.963 1.00 0.86 C ATOM 1453 OE1 GLU A 95 -10.133 12.180 -4.317 1.00 1.55 O ATOM 1454 OE2 GLU A 95 -9.274 13.586 -2.930 1.00 1.61 O ATOM 0 H GLU A 95 -5.704 11.718 -4.608 1.00 0.15 H new ATOM 0 HA GLU A 95 -8.248 10.484 -4.159 1.00 0.15 H new ATOM 0 HB2 GLU A 95 -7.145 12.044 -6.547 1.00 0.17 H new ATOM 0 HB3 GLU A 95 -8.841 11.682 -6.293 1.00 0.17 H new ATOM 0 HG2 GLU A 95 -7.122 13.204 -4.269 1.00 0.19 H new ATOM 0 HG3 GLU A 95 -8.117 13.993 -5.476 1.00 0.19 H new ATOM 1461 N LYS A 96 -6.335 9.127 -6.415 1.00 0.14 N ATOM 1462 CA LYS A 96 -6.187 7.962 -7.326 1.00 0.15 C ATOM 1463 C LYS A 96 -6.451 6.677 -6.551 1.00 0.14 C ATOM 1464 O LYS A 96 -6.984 5.720 -7.074 1.00 0.15 O ATOM 1465 CB LYS A 96 -4.762 7.965 -7.857 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.611 6.988 -9.018 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.293 7.281 -9.738 1.00 0.25 C ATOM 1468 CE LYS A 96 -3.121 6.306 -10.900 1.00 0.82 C ATOM 1469 NZ LYS A 96 -1.904 6.666 -11.680 1.00 1.45 N ATOM 0 H LYS A 96 -5.484 9.674 -6.283 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.897 8.023 -8.151 1.00 0.15 H new ATOM 0 HB2 LYS A 96 -4.494 8.969 -8.185 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -4.071 7.696 -7.058 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.621 5.961 -8.652 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.449 7.089 -9.708 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.287 8.307 -10.106 1.00 0.25 H new ATOM 0 HD3 LYS A 96 -2.458 7.187 -9.044 1.00 0.25 H new ATOM 0 HE2 LYS A 96 -3.035 5.287 -10.523 1.00 0.82 H new ATOM 0 HE3 LYS A 96 -4.000 6.334 -11.544 1.00 0.82 H new ATOM 0 HZ1 LYS A 96 -1.789 6.000 -12.471 1.00 1.45 H new ATOM 0 HZ2 LYS A 96 -2.003 7.632 -12.052 1.00 1.45 H new ATOM 0 HZ3 LYS A 96 -1.069 6.617 -11.062 1.00 1.45 H new ATOM 1483 N LEU A 97 -6.085 6.653 -5.304 1.00 0.13 N ATOM 1484 CA LEU A 97 -6.321 5.432 -4.496 1.00 0.13 C ATOM 1485 C LEU A 97 -7.817 5.150 -4.471 1.00 0.14 C ATOM 1486 O LEU A 97 -8.258 4.023 -4.546 1.00 0.15 O ATOM 1487 CB LEU A 97 -5.891 5.691 -3.044 1.00 0.13 C ATOM 1488 CG LEU A 97 -4.365 5.648 -2.892 1.00 0.14 C ATOM 1489 CD1 LEU A 97 -3.994 6.279 -1.542 1.00 0.19 C ATOM 1490 CD2 LEU A 97 -3.843 4.186 -2.945 1.00 0.19 C ATOM 0 H LEU A 97 -5.634 7.424 -4.811 1.00 0.13 H new ATOM 0 HA LEU A 97 -5.761 4.601 -4.925 1.00 0.13 H new ATOM 0 HB2 LEU A 97 -6.262 6.664 -2.722 1.00 0.13 H new ATOM 0 HB3 LEU A 97 -6.344 4.945 -2.391 1.00 0.13 H new ATOM 0 HG LEU A 97 -3.906 6.200 -3.712 1.00 0.14 H new ATOM 0 HD11 LEU A 97 -2.912 6.258 -1.416 1.00 0.19 H new ATOM 0 HD12 LEU A 97 -4.342 7.312 -1.515 1.00 0.19 H new ATOM 0 HD13 LEU A 97 -4.465 5.716 -0.736 1.00 0.19 H new ATOM 0 HD21 LEU A 97 -2.759 4.183 -2.835 1.00 0.19 H new ATOM 0 HD22 LEU A 97 -4.292 3.610 -2.136 1.00 0.19 H new ATOM 0 HD23 LEU A 97 -4.112 3.738 -3.902 1.00 0.19 H new ATOM 1502 N GLU A 98 -8.600 6.177 -4.356 1.00 0.14 N ATOM 1503 CA GLU A 98 -10.074 5.970 -4.290 1.00 0.15 C ATOM 1504 C GLU A 98 -10.585 5.345 -5.585 1.00 0.16 C ATOM 1505 O GLU A 98 -11.422 4.468 -5.561 1.00 0.18 O ATOM 1506 CB GLU A 98 -10.780 7.312 -4.046 1.00 0.18 C ATOM 1507 CG GLU A 98 -12.299 7.098 -3.958 1.00 0.21 C ATOM 1508 CD GLU A 98 -12.984 8.446 -3.725 1.00 1.28 C ATOM 1509 OE1 GLU A 98 -12.280 9.440 -3.650 1.00 2.00 O ATOM 1510 OE2 GLU A 98 -14.200 8.463 -3.628 1.00 2.10 O ATOM 0 H GLU A 98 -8.291 7.148 -4.305 1.00 0.14 H new ATOM 0 HA GLU A 98 -10.293 5.292 -3.465 1.00 0.15 H new ATOM 0 HB2 GLU A 98 -10.414 7.763 -3.123 1.00 0.18 H new ATOM 0 HB3 GLU A 98 -10.548 8.006 -4.854 1.00 0.18 H new ATOM 0 HG2 GLU A 98 -12.668 6.643 -4.877 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -12.535 6.411 -3.145 1.00 0.21 H new ATOM 1517 N ALA A 99 -10.117 5.793 -6.714 1.00 0.16 N ATOM 1518 CA ALA A 99 -10.633 5.217 -7.991 1.00 0.17 C ATOM 1519 C ALA A 99 -10.198 3.763 -8.154 1.00 0.16 C ATOM 1520 O ALA A 99 -10.985 2.925 -8.533 1.00 0.17 O ATOM 1521 CB ALA A 99 -10.130 6.040 -9.180 1.00 0.19 C ATOM 0 H ALA A 99 -9.410 6.522 -6.812 1.00 0.16 H new ATOM 0 HA ALA A 99 -11.722 5.250 -7.959 1.00 0.17 H new ATOM 0 HB1 ALA A 99 -10.512 5.612 -10.107 1.00 0.19 H new ATOM 0 HB2 ALA A 99 -10.479 7.068 -9.085 1.00 0.19 H new ATOM 0 HB3 ALA A 99 -9.040 6.027 -9.196 1.00 0.19 H new ATOM 1527 N THR A 100 -8.966 3.441 -7.883 1.00 0.16 N ATOM 1528 CA THR A 100 -8.546 2.025 -8.047 1.00 0.16 C ATOM 1529 C THR A 100 -9.296 1.170 -7.018 1.00 0.15 C ATOM 1530 O THR A 100 -9.766 0.089 -7.316 1.00 0.15 O ATOM 1531 CB THR A 100 -7.030 1.906 -7.870 1.00 0.17 C ATOM 1532 OG1 THR A 100 -6.389 2.862 -8.705 1.00 0.19 O ATOM 1533 CG2 THR A 100 -6.586 0.504 -8.285 1.00 0.20 C ATOM 0 H THR A 100 -8.243 4.084 -7.561 1.00 0.16 H new ATOM 0 HA THR A 100 -8.790 1.670 -9.048 1.00 0.16 H new ATOM 0 HB THR A 100 -6.764 2.085 -6.828 1.00 0.17 H new ATOM 0 HG1 THR A 100 -5.418 2.793 -8.596 1.00 0.19 H new ATOM 0 HG21 THR A 100 -5.507 0.413 -8.161 1.00 0.20 H new ATOM 0 HG22 THR A 100 -7.087 -0.236 -7.661 1.00 0.20 H new ATOM 0 HG23 THR A 100 -6.847 0.334 -9.329 1.00 0.20 H new ATOM 1541 N ILE A 101 -9.454 1.664 -5.819 1.00 0.14 N ATOM 1542 CA ILE A 101 -10.217 0.895 -4.790 1.00 0.13 C ATOM 1543 C ILE A 101 -11.652 0.775 -5.283 1.00 0.14 C ATOM 1544 O ILE A 101 -12.242 -0.283 -5.289 1.00 0.14 O ATOM 1545 CB ILE A 101 -10.211 1.668 -3.467 1.00 0.14 C ATOM 1546 CG1 ILE A 101 -8.801 1.645 -2.873 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -11.194 1.024 -2.480 1.00 0.15 C ATOM 1548 CD1 ILE A 101 -8.688 2.696 -1.765 1.00 0.16 C ATOM 0 H ILE A 101 -9.089 2.564 -5.507 1.00 0.14 H new ATOM 0 HA ILE A 101 -9.770 -0.087 -4.634 1.00 0.13 H new ATOM 0 HB ILE A 101 -10.515 2.698 -3.651 1.00 0.14 H new ATOM 0 HG12 ILE A 101 -8.581 0.655 -2.472 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -8.065 1.844 -3.652 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -11.184 1.579 -1.542 1.00 0.15 H new ATOM 0 HG22 ILE A 101 -12.199 1.043 -2.902 1.00 0.15 H new ATOM 0 HG23 ILE A 101 -10.899 -0.008 -2.294 1.00 0.15 H new ATOM 0 HD11 ILE A 101 -7.682 2.676 -1.345 1.00 0.16 H new ATOM 0 HD12 ILE A 101 -8.888 3.684 -2.179 1.00 0.16 H new ATOM 0 HD13 ILE A 101 -9.413 2.477 -0.981 1.00 0.16 H new ATOM 1560 N ASN A 102 -12.194 1.873 -5.725 1.00 0.17 N ATOM 1561 CA ASN A 102 -13.582 1.892 -6.255 1.00 0.20 C ATOM 1562 C ASN A 102 -13.654 0.956 -7.457 1.00 0.19 C ATOM 1563 O ASN A 102 -14.641 0.289 -7.691 1.00 0.20 O ATOM 1564 CB ASN A 102 -13.918 3.327 -6.690 1.00 0.25 C ATOM 1565 CG ASN A 102 -15.401 3.453 -7.038 1.00 0.31 C ATOM 1566 OD1 ASN A 102 -15.822 4.449 -7.594 1.00 0.95 O ATOM 1567 ND2 ASN A 102 -16.215 2.492 -6.732 1.00 0.55 N ATOM 0 H ASN A 102 -11.722 2.777 -5.741 1.00 0.17 H new ATOM 0 HA ASN A 102 -14.292 1.565 -5.496 1.00 0.20 H new ATOM 0 HB2 ASN A 102 -13.667 4.023 -5.890 1.00 0.25 H new ATOM 0 HB3 ASN A 102 -13.312 3.602 -7.553 1.00 0.25 H new ATOM 0 HD21 ASN A 102 -17.206 2.572 -6.958 1.00 0.55 H new ATOM 0 HD22 ASN A 102 -15.864 1.656 -6.266 1.00 0.55 H new ATOM 1574 N GLU A 103 -12.611 0.926 -8.228 1.00 0.18 N ATOM 1575 CA GLU A 103 -12.582 0.064 -9.435 1.00 0.18 C ATOM 1576 C GLU A 103 -12.556 -1.412 -9.021 1.00 0.16 C ATOM 1577 O GLU A 103 -13.179 -2.250 -9.642 1.00 0.18 O ATOM 1578 CB GLU A 103 -11.308 0.395 -10.223 1.00 0.19 C ATOM 1579 CG GLU A 103 -11.342 -0.277 -11.604 1.00 0.21 C ATOM 1580 CD GLU A 103 -11.125 -1.785 -11.463 1.00 1.34 C ATOM 1581 OE1 GLU A 103 -10.068 -2.168 -10.992 1.00 2.21 O ATOM 1582 OE2 GLU A 103 -12.019 -2.529 -11.832 1.00 2.04 O ATOM 0 H GLU A 103 -11.763 1.471 -8.071 1.00 0.18 H new ATOM 0 HA GLU A 103 -13.468 0.241 -10.045 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.215 1.475 -10.339 1.00 0.19 H new ATOM 0 HB3 GLU A 103 -10.432 0.058 -9.669 1.00 0.19 H new ATOM 0 HG2 GLU A 103 -12.300 -0.084 -12.087 1.00 0.21 H new ATOM 0 HG3 GLU A 103 -10.570 0.151 -12.244 1.00 0.21 H new ATOM 1589 N LEU A 104 -11.816 -1.736 -7.990 1.00 0.14 N ATOM 1590 CA LEU A 104 -11.714 -3.163 -7.542 1.00 0.14 C ATOM 1591 C LEU A 104 -12.658 -3.457 -6.363 1.00 0.13 C ATOM 1592 O LEU A 104 -12.724 -4.578 -5.898 1.00 0.15 O ATOM 1593 CB LEU A 104 -10.279 -3.437 -7.079 1.00 0.14 C ATOM 1594 CG LEU A 104 -9.281 -3.305 -8.235 1.00 0.16 C ATOM 1595 CD1 LEU A 104 -7.860 -3.364 -7.667 1.00 0.17 C ATOM 1596 CD2 LEU A 104 -9.472 -4.450 -9.246 1.00 0.25 C ATOM 0 H LEU A 104 -11.275 -1.072 -7.436 1.00 0.14 H new ATOM 0 HA LEU A 104 -11.992 -3.799 -8.383 1.00 0.14 H new ATOM 0 HB2 LEU A 104 -10.012 -2.739 -6.285 1.00 0.14 H new ATOM 0 HB3 LEU A 104 -10.217 -4.440 -6.656 1.00 0.14 H new ATOM 0 HG LEU A 104 -9.448 -2.357 -8.746 1.00 0.16 H new ATOM 0 HD11 LEU A 104 -7.139 -3.271 -8.479 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -7.717 -2.547 -6.960 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -7.711 -4.316 -7.157 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -8.755 -4.340 -10.060 1.00 0.25 H new ATOM 0 HD22 LEU A 104 -9.312 -5.406 -8.748 1.00 0.25 H new ATOM 0 HD23 LEU A 104 -10.485 -4.416 -9.647 1.00 0.25 H new ATOM 1608 N VAL A 105 -13.371 -2.486 -5.858 1.00 0.14 N ATOM 1609 CA VAL A 105 -14.274 -2.773 -4.697 1.00 0.15 C ATOM 1610 C VAL A 105 -15.371 -3.743 -5.135 1.00 0.16 C ATOM 1611 O VAL A 105 -15.727 -3.714 -6.301 1.00 1.08 O ATOM 1612 CB VAL A 105 -14.922 -1.474 -4.186 1.00 0.17 C ATOM 1613 CG1 VAL A 105 -15.982 -0.975 -5.188 1.00 0.21 C ATOM 1614 CG2 VAL A 105 -15.579 -1.744 -2.823 1.00 0.19 C ATOM 1615 OXT VAL A 105 -15.838 -4.497 -4.298 1.00 1.08 O ATOM 0 H VAL A 105 -13.371 -1.521 -6.189 1.00 0.14 H new ATOM 0 HA VAL A 105 -13.684 -3.214 -3.894 1.00 0.15 H new ATOM 0 HB VAL A 105 -14.156 -0.706 -4.081 1.00 0.17 H new ATOM 0 HG11 VAL A 105 -16.432 -0.056 -4.814 1.00 0.21 H new ATOM 0 HG12 VAL A 105 -15.510 -0.782 -6.151 1.00 0.21 H new ATOM 0 HG13 VAL A 105 -16.755 -1.734 -5.309 1.00 0.21 H new ATOM 0 HG21 VAL A 105 -16.041 -0.828 -2.454 1.00 0.19 H new ATOM 0 HG22 VAL A 105 -16.341 -2.516 -2.933 1.00 0.19 H new ATOM 0 HG23 VAL A 105 -14.822 -2.080 -2.114 1.00 0.19 H new ATOM 1683 N LYS B 63 6.959 15.010 -5.947 1.00 0.19 N ATOM 1684 CA LYS B 63 5.819 14.044 -5.910 1.00 0.14 C ATOM 1685 C LYS B 63 6.359 12.610 -5.824 1.00 0.12 C ATOM 1686 O LYS B 63 5.645 11.699 -5.448 1.00 0.12 O ATOM 1687 CB LYS B 63 4.978 14.187 -7.185 1.00 0.17 C ATOM 1688 CG LYS B 63 4.410 15.612 -7.311 1.00 0.20 C ATOM 1689 CD LYS B 63 3.586 15.986 -6.065 1.00 0.40 C ATOM 1690 CE LYS B 63 2.613 17.123 -6.407 1.00 0.35 C ATOM 1691 NZ LYS B 63 1.747 17.414 -5.224 1.00 1.31 N ATOM 0 HA LYS B 63 5.201 14.257 -5.037 1.00 0.14 H new ATOM 0 HB2 LYS B 63 5.590 13.957 -8.057 1.00 0.17 H new ATOM 0 HB3 LYS B 63 4.161 13.466 -7.169 1.00 0.17 H new ATOM 0 HG2 LYS B 63 5.226 16.323 -7.440 1.00 0.20 H new ATOM 0 HG3 LYS B 63 3.784 15.681 -8.201 1.00 0.20 H new ATOM 0 HD2 LYS B 63 3.033 15.117 -5.709 1.00 0.40 H new ATOM 0 HD3 LYS B 63 4.250 16.294 -5.257 1.00 0.40 H new ATOM 0 HE2 LYS B 63 3.168 18.017 -6.693 1.00 0.35 H new ATOM 0 HE3 LYS B 63 1.997 16.843 -7.262 1.00 0.35 H new ATOM 0 HZ1 LYS B 63 1.088 18.184 -5.457 1.00 1.31 H new ATOM 0 HZ2 LYS B 63 1.207 16.562 -4.971 1.00 1.31 H new ATOM 0 HZ3 LYS B 63 2.342 17.699 -4.420 1.00 1.31 H new ATOM 1705 N ILE B 64 7.601 12.401 -6.200 1.00 0.11 N ATOM 1706 CA ILE B 64 8.211 11.022 -6.153 1.00 0.11 C ATOM 1707 C ILE B 64 9.567 11.085 -5.424 1.00 0.10 C ATOM 1708 O ILE B 64 10.340 12.000 -5.627 1.00 0.11 O ATOM 1709 CB ILE B 64 8.458 10.518 -7.584 1.00 0.12 C ATOM 1710 CG1 ILE B 64 7.124 10.295 -8.316 1.00 0.15 C ATOM 1711 CG2 ILE B 64 9.249 9.204 -7.552 1.00 0.13 C ATOM 1712 CD1 ILE B 64 6.252 9.257 -7.585 1.00 0.15 C ATOM 0 H ILE B 64 8.227 13.131 -6.541 1.00 0.11 H new ATOM 0 HA ILE B 64 7.530 10.351 -5.630 1.00 0.11 H new ATOM 0 HB ILE B 64 9.033 11.274 -8.118 1.00 0.12 H new ATOM 0 HG12 ILE B 64 6.585 11.239 -8.389 1.00 0.15 H new ATOM 0 HG13 ILE B 64 7.317 9.958 -9.335 1.00 0.15 H new ATOM 0 HG21 ILE B 64 9.418 8.856 -8.571 1.00 0.13 H new ATOM 0 HG22 ILE B 64 10.208 9.369 -7.061 1.00 0.13 H new ATOM 0 HG23 ILE B 64 8.684 8.452 -7.001 1.00 0.13 H new ATOM 0 HD11 ILE B 64 5.316 9.122 -8.127 1.00 0.15 H new ATOM 0 HD12 ILE B 64 6.783 8.306 -7.535 1.00 0.15 H new ATOM 0 HD13 ILE B 64 6.039 9.607 -6.575 1.00 0.15 H new ATOM 1724 N CYS B 65 9.881 10.108 -4.603 1.00 0.09 N ATOM 1725 CA CYS B 65 11.206 10.103 -3.911 1.00 0.10 C ATOM 1726 C CYS B 65 12.142 9.211 -4.744 1.00 0.10 C ATOM 1727 O CYS B 65 11.803 8.092 -5.074 1.00 0.11 O ATOM 1728 CB CYS B 65 11.086 9.530 -2.488 1.00 0.10 C ATOM 1729 SG CYS B 65 9.717 10.311 -1.587 1.00 0.19 S ATOM 0 H CYS B 65 9.276 9.316 -4.384 1.00 0.09 H new ATOM 0 HA CYS B 65 11.587 11.120 -3.826 1.00 0.10 H new ATOM 0 HB2 CYS B 65 10.926 8.453 -2.538 1.00 0.10 H new ATOM 0 HB3 CYS B 65 12.019 9.689 -1.948 1.00 0.10 H new ATOM 1734 N SER B 66 13.294 9.704 -5.121 1.00 0.12 N ATOM 1735 CA SER B 66 14.219 8.884 -5.972 1.00 0.14 C ATOM 1736 C SER B 66 14.945 7.817 -5.133 1.00 0.14 C ATOM 1737 O SER B 66 15.352 8.067 -4.020 1.00 0.15 O ATOM 1738 CB SER B 66 15.264 9.812 -6.597 1.00 0.18 C ATOM 1739 OG SER B 66 14.606 10.786 -7.398 1.00 0.20 O ATOM 0 H SER B 66 13.636 10.634 -4.880 1.00 0.12 H new ATOM 0 HA SER B 66 13.631 8.382 -6.741 1.00 0.14 H new ATOM 0 HB2 SER B 66 15.848 10.300 -5.816 1.00 0.18 H new ATOM 0 HB3 SER B 66 15.962 9.236 -7.204 1.00 0.18 H new ATOM 0 HG SER B 66 15.271 11.384 -7.799 1.00 0.20 H new ATOM 1745 N TRP B 67 15.128 6.633 -5.670 1.00 0.15 N ATOM 1746 CA TRP B 67 15.849 5.565 -4.906 1.00 0.16 C ATOM 1747 C TRP B 67 17.344 5.840 -4.946 1.00 0.19 C ATOM 1748 O TRP B 67 18.119 5.251 -4.218 1.00 0.21 O ATOM 1749 CB TRP B 67 15.563 4.196 -5.535 1.00 0.16 C ATOM 1750 CG TRP B 67 14.145 3.840 -5.266 1.00 0.14 C ATOM 1751 CD1 TRP B 67 13.079 4.565 -5.659 1.00 0.13 C ATOM 1752 CD2 TRP B 67 13.617 2.699 -4.535 1.00 0.14 C ATOM 1753 NE1 TRP B 67 11.936 3.941 -5.216 1.00 0.13 N ATOM 1754 CE2 TRP B 67 12.217 2.793 -4.516 1.00 0.13 C ATOM 1755 CE3 TRP B 67 14.210 1.601 -3.890 1.00 0.16 C ATOM 1756 CZ2 TRP B 67 11.432 1.847 -3.883 1.00 0.14 C ATOM 1757 CZ3 TRP B 67 13.420 0.638 -3.251 1.00 0.17 C ATOM 1758 CH2 TRP B 67 12.030 0.764 -3.244 1.00 0.16 C ATOM 0 H TRP B 67 14.811 6.361 -6.600 1.00 0.15 H new ATOM 0 HA TRP B 67 15.504 5.564 -3.872 1.00 0.16 H new ATOM 0 HB2 TRP B 67 15.749 4.226 -6.609 1.00 0.16 H new ATOM 0 HB3 TRP B 67 16.229 3.441 -5.117 1.00 0.16 H new ATOM 0 HD1 TRP B 67 13.116 5.483 -6.227 1.00 0.13 H new ATOM 0 HE1 TRP B 67 10.993 4.289 -5.387 1.00 0.13 H new ATOM 0 HE3 TRP B 67 15.285 1.499 -3.887 1.00 0.16 H new ATOM 0 HZ2 TRP B 67 10.357 1.948 -3.884 1.00 0.14 H new ATOM 0 HZ3 TRP B 67 13.887 -0.204 -2.762 1.00 0.17 H new ATOM 0 HH2 TRP B 67 11.421 0.025 -2.745 1.00 0.16 H new ATOM 1769 N ASN B 68 17.757 6.746 -5.784 1.00 0.23 N ATOM 1770 CA ASN B 68 19.204 7.073 -5.870 1.00 0.27 C ATOM 1771 C ASN B 68 19.706 7.432 -4.476 1.00 0.26 C ATOM 1772 O ASN B 68 20.892 7.549 -4.243 1.00 0.30 O ATOM 1773 CB ASN B 68 19.401 8.262 -6.806 1.00 0.34 C ATOM 1774 CG ASN B 68 19.110 7.820 -8.238 1.00 0.40 C ATOM 1775 OD1 ASN B 68 19.351 8.555 -9.174 1.00 0.49 O ATOM 1776 ND2 ASN B 68 18.593 6.641 -8.449 1.00 0.40 N ATOM 0 H ASN B 68 17.154 7.275 -6.414 1.00 0.23 H new ATOM 0 HA ASN B 68 19.759 6.218 -6.256 1.00 0.27 H new ATOM 0 HB2 ASN B 68 18.738 9.079 -6.522 1.00 0.34 H new ATOM 0 HB3 ASN B 68 20.421 8.638 -6.728 1.00 0.34 H new ATOM 0 HD21 ASN B 68 18.391 6.336 -9.401 1.00 0.40 H new ATOM 0 HD22 ASN B 68 18.391 6.024 -7.662 1.00 0.40 H new