USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 898 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 THR OG1 : rot 151:sc= 1.25 USER MOD Set 1.2: A 117 TYR OH : rot 180:sc= 1.1 USER MOD Set 2.1: A 27 HIS : no HD1:sc= -0.982 K(o=-0.98,f=-0.18) USER MOD Set 2.2: A 31 GLN : amide:sc= 0 K(o=-0.98,f=-0.18) USER MOD Set 3.1: A 21 THR OG1 : rot 177:sc= 0.451 USER MOD Set 3.2: A 99 LYS NZ :NH3+ 147:sc= 0.532 (180deg=0.0247) USER MOD Set 4.1: A 7 THR OG1 : rot 145:sc= 1.7 USER MOD Set 4.2: A 9 THR OG1 : rot 125:sc= 2.35 USER MOD Single : A 3 MET CE :methyl -116:sc= -0.0151 (180deg=-0.655) USER MOD Single : A 4 LYS NZ :NH3+ -156:sc= 0.137 (180deg=0.0434) USER MOD Single : A 5 LYS NZ :NH3+ -161:sc= 1.17 (180deg=0.78) USER MOD Single : A 6 TYR OH : rot 4:sc= 1.31 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -1.49 K(o=-1.5,f=-2.6!) USER MOD Single : A 14 SER OG : rot 171:sc= -0.704 USER MOD Single : A 18 LYS NZ :NH3+ 172:sc= -0.15 (180deg=-0.25) USER MOD Single : A 26 ASN : amide:sc= -0.112 K(o=-0.11,f=-1.3) USER MOD Single : A 29 GLN : amide:sc= -8.24! C(o=-8.2!,f=-11!) USER MOD Single : A 37 TYR OH : rot -84:sc= 0.139 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -59:sc= 0.528 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 46:sc= 1.19 USER MOD Single : A 70 SER OG : rot 180:sc= 0.159 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0.281 K(o=0.28,f=-2.5) USER MOD Single : A 79 LYS NZ :NH3+ -149:sc= 1.21 (180deg=0.36) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.00136 USER MOD Single : A 88 ASN : amide:sc=-0.00608 X(o=-0.0061,f=-0.3) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl -146:sc= -0.377 (180deg=-1.81!) USER MOD Single : A 103 SER OG : rot 180:sc= -0.0637 USER MOD Single : A 115 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 40 N MET A 3 11.639 -2.559 -8.548 1.00 0.00 N ATOM 41 CA MET A 3 11.319 -3.845 -7.923 1.00 0.00 C ATOM 42 C MET A 3 9.941 -3.745 -7.256 1.00 0.00 C ATOM 43 O MET A 3 9.544 -2.648 -6.856 1.00 0.00 O ATOM 44 CB MET A 3 12.434 -4.229 -6.922 1.00 0.00 C ATOM 45 CG MET A 3 12.853 -3.125 -5.934 1.00 0.00 C ATOM 46 SD MET A 3 14.636 -2.958 -5.647 1.00 0.00 S ATOM 47 CE MET A 3 14.990 -4.534 -4.843 1.00 0.00 C ATOM 0 HA MET A 3 11.272 -4.637 -8.670 1.00 0.00 H new ATOM 0 HB2 MET A 3 12.101 -5.095 -6.350 1.00 0.00 H new ATOM 0 HB3 MET A 3 13.313 -4.538 -7.487 1.00 0.00 H new ATOM 0 HG2 MET A 3 12.472 -2.172 -6.301 1.00 0.00 H new ATOM 0 HG3 MET A 3 12.366 -3.316 -4.977 1.00 0.00 H new ATOM 0 HE1 MET A 3 15.327 -4.354 -3.822 1.00 0.00 H new ATOM 0 HE2 MET A 3 14.087 -5.144 -4.825 1.00 0.00 H new ATOM 0 HE3 MET A 3 15.770 -5.057 -5.396 1.00 0.00 H new ATOM 57 N LYS A 4 9.198 -4.853 -7.116 1.00 0.00 N ATOM 58 CA LYS A 4 7.855 -4.855 -6.520 1.00 0.00 C ATOM 59 C LYS A 4 7.793 -5.871 -5.374 1.00 0.00 C ATOM 60 O LYS A 4 7.528 -7.050 -5.611 1.00 0.00 O ATOM 61 CB LYS A 4 6.762 -5.032 -7.599 1.00 0.00 C ATOM 62 CG LYS A 4 5.334 -4.747 -7.080 1.00 0.00 C ATOM 63 CD LYS A 4 4.277 -4.879 -8.196 1.00 0.00 C ATOM 64 CE LYS A 4 2.946 -4.196 -7.823 1.00 0.00 C ATOM 65 NZ LYS A 4 1.888 -4.406 -8.839 1.00 0.00 N ATOM 0 H LYS A 4 9.514 -5.776 -7.414 1.00 0.00 H new ATOM 0 HA LYS A 4 7.646 -3.883 -6.074 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.976 -4.366 -8.435 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.804 -6.051 -7.984 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.097 -5.439 -6.272 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.295 -3.742 -6.660 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.664 -4.438 -9.115 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.097 -5.934 -8.400 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.602 -4.580 -6.863 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.115 -3.127 -7.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.187 -3.641 -8.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.313 -4.406 -9.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.420 -5.319 -8.669 1.00 0.00 H new ATOM 79 N LYS A 5 8.136 -5.459 -4.144 1.00 0.00 N ATOM 80 CA LYS A 5 8.048 -6.329 -2.957 1.00 0.00 C ATOM 81 C LYS A 5 6.698 -6.176 -2.239 1.00 0.00 C ATOM 82 O LYS A 5 5.883 -5.351 -2.655 1.00 0.00 O ATOM 83 CB LYS A 5 9.287 -6.105 -2.073 1.00 0.00 C ATOM 84 CG LYS A 5 10.510 -6.846 -2.655 1.00 0.00 C ATOM 85 CD LYS A 5 11.809 -6.065 -2.422 1.00 0.00 C ATOM 86 CE LYS A 5 13.075 -6.916 -2.620 1.00 0.00 C ATOM 87 NZ LYS A 5 13.354 -7.788 -1.462 1.00 0.00 N ATOM 0 H LYS A 5 8.480 -4.520 -3.943 1.00 0.00 H new ATOM 0 HA LYS A 5 8.065 -7.378 -3.254 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.501 -5.039 -2.001 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.088 -6.459 -1.062 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.591 -7.832 -2.197 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.366 -7.003 -3.724 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.841 -5.215 -3.104 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.806 -5.662 -1.409 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.961 -7.529 -3.514 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.928 -6.259 -2.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.349 -8.091 -1.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.173 -7.265 -0.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.737 -8.624 -1.500 1.00 0.00 H new ATOM 101 N TYR A 6 6.446 -6.990 -1.206 1.00 0.00 N ATOM 102 CA TYR A 6 5.142 -7.139 -0.539 1.00 0.00 C ATOM 103 C TYR A 6 5.277 -7.166 0.991 1.00 0.00 C ATOM 104 O TYR A 6 6.392 -7.157 1.518 1.00 0.00 O ATOM 105 CB TYR A 6 4.477 -8.436 -1.024 1.00 0.00 C ATOM 106 CG TYR A 6 4.200 -8.492 -2.512 1.00 0.00 C ATOM 107 CD1 TYR A 6 5.196 -8.946 -3.394 1.00 0.00 C ATOM 108 CD2 TYR A 6 2.952 -8.080 -3.013 1.00 0.00 C ATOM 109 CE1 TYR A 6 4.958 -8.957 -4.777 1.00 0.00 C ATOM 110 CE2 TYR A 6 2.694 -8.126 -4.395 1.00 0.00 C ATOM 111 CZ TYR A 6 3.699 -8.562 -5.287 1.00 0.00 C ATOM 112 OH TYR A 6 3.438 -8.606 -6.623 1.00 0.00 O ATOM 0 H TYR A 6 7.167 -7.584 -0.796 1.00 0.00 H new ATOM 0 HA TYR A 6 4.528 -6.276 -0.797 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.116 -9.277 -0.756 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.537 -8.567 -0.489 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.145 -9.287 -3.007 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.189 -7.727 -2.334 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.739 -9.268 -5.455 1.00 0.00 H new ATOM 0 HE2 TYR A 6 1.728 -7.828 -4.774 1.00 0.00 H new ATOM 0 HH TYR A 6 4.205 -8.995 -7.093 1.00 0.00 H new ATOM 122 N THR A 7 4.159 -7.241 1.725 1.00 0.00 N ATOM 123 CA THR A 7 4.114 -7.284 3.174 1.00 0.00 C ATOM 124 C THR A 7 3.218 -8.429 3.659 1.00 0.00 C ATOM 125 O THR A 7 2.414 -8.975 2.903 1.00 0.00 O ATOM 126 CB THR A 7 3.624 -5.933 3.727 1.00 0.00 C ATOM 127 OG1 THR A 7 2.283 -5.720 3.343 1.00 0.00 O ATOM 128 CG2 THR A 7 4.450 -4.723 3.286 1.00 0.00 C ATOM 0 H THR A 7 3.232 -7.274 1.300 1.00 0.00 H new ATOM 0 HA THR A 7 5.121 -7.469 3.548 1.00 0.00 H new ATOM 0 HB THR A 7 3.733 -6.009 4.809 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.807 -5.253 4.061 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.031 -3.817 3.724 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.480 -4.844 3.620 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.428 -4.644 2.199 1.00 0.00 H new ATOM 136 N LYS A 8 3.304 -8.713 4.963 1.00 0.00 N ATOM 137 CA LYS A 8 2.283 -9.432 5.739 1.00 0.00 C ATOM 138 C LYS A 8 1.091 -8.519 6.082 1.00 0.00 C ATOM 139 O LYS A 8 0.352 -8.795 7.022 1.00 0.00 O ATOM 140 CB LYS A 8 2.837 -10.087 7.033 1.00 0.00 C ATOM 141 CG LYS A 8 3.847 -11.233 6.847 1.00 0.00 C ATOM 142 CD LYS A 8 5.282 -10.946 7.311 1.00 0.00 C ATOM 143 CE LYS A 8 5.833 -9.670 6.684 1.00 0.00 C ATOM 144 NZ LYS A 8 7.135 -9.265 7.250 1.00 0.00 N ATOM 0 H LYS A 8 4.110 -8.441 5.526 1.00 0.00 H new ATOM 0 HA LYS A 8 1.943 -10.240 5.092 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.310 -9.310 7.633 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.994 -10.466 7.611 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.479 -12.106 7.386 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.874 -11.499 5.790 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.302 -10.856 8.397 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.924 -11.787 7.049 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.940 -9.817 5.609 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.115 -8.863 6.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.459 -8.393 6.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.032 -9.096 8.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.832 -10.021 7.093 1.00 0.00 H new ATOM 158 N THR A 9 0.911 -7.394 5.388 1.00 0.00 N ATOM 159 CA THR A 9 -0.170 -6.450 5.655 1.00 0.00 C ATOM 160 C THR A 9 -0.983 -6.196 4.388 1.00 0.00 C ATOM 161 O THR A 9 -1.607 -5.142 4.252 1.00 0.00 O ATOM 162 CB THR A 9 0.381 -5.182 6.343 1.00 0.00 C ATOM 163 OG1 THR A 9 1.335 -4.474 5.564 1.00 0.00 O ATOM 164 CG2 THR A 9 1.080 -5.504 7.671 1.00 0.00 C ATOM 0 H THR A 9 1.518 -7.112 4.618 1.00 0.00 H new ATOM 0 HA THR A 9 -0.878 -6.877 6.366 1.00 0.00 H new ATOM 0 HB THR A 9 -0.507 -4.568 6.491 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.047 -3.543 5.461 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.452 -4.583 8.119 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.371 -5.978 8.350 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.915 -6.181 7.488 1.00 0.00 H new ATOM 172 N HIS A 10 -0.995 -7.179 3.474 1.00 0.00 N ATOM 173 CA HIS A 10 -1.663 -7.144 2.177 1.00 0.00 C ATOM 174 C HIS A 10 -1.414 -5.823 1.455 1.00 0.00 C ATOM 175 O HIS A 10 -2.355 -5.195 0.970 1.00 0.00 O ATOM 176 CB HIS A 10 -3.147 -7.561 2.278 1.00 0.00 C ATOM 177 CG HIS A 10 -3.924 -6.961 3.420 1.00 0.00 C ATOM 178 ND1 HIS A 10 -4.523 -5.717 3.427 1.00 0.00 N ATOM 179 CD2 HIS A 10 -4.195 -7.567 4.616 1.00 0.00 C ATOM 180 CE1 HIS A 10 -5.216 -5.607 4.573 1.00 0.00 C ATOM 181 NE2 HIS A 10 -5.052 -6.728 5.302 1.00 0.00 N ATOM 0 H HIS A 10 -0.512 -8.063 3.635 1.00 0.00 H new ATOM 0 HA HIS A 10 -1.212 -7.903 1.538 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.644 -7.293 1.346 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -3.194 -8.647 2.363 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.813 -8.518 4.958 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -5.811 -4.754 4.864 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -5.486 -6.924 6.204 1.00 0.00 H new ATOM 190 N GLU A 11 -0.142 -5.430 1.352 1.00 0.00 N ATOM 191 CA GLU A 11 0.296 -4.313 0.529 1.00 0.00 C ATOM 192 C GLU A 11 1.322 -4.845 -0.467 1.00 0.00 C ATOM 193 O GLU A 11 2.145 -5.710 -0.138 1.00 0.00 O ATOM 194 CB GLU A 11 0.914 -3.206 1.401 1.00 0.00 C ATOM 195 CG GLU A 11 -0.140 -2.473 2.235 1.00 0.00 C ATOM 196 CD GLU A 11 0.449 -1.849 3.499 1.00 0.00 C ATOM 197 OE1 GLU A 11 1.150 -0.822 3.370 1.00 0.00 O ATOM 198 OE2 GLU A 11 0.174 -2.400 4.596 1.00 0.00 O ATOM 0 H GLU A 11 0.621 -5.890 1.849 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.553 -3.877 0.002 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.661 -3.642 2.064 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.433 -2.490 0.763 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.601 -1.693 1.629 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.930 -3.171 2.512 1.00 0.00 H new ATOM 205 N TRP A 12 1.279 -4.303 -1.680 1.00 0.00 N ATOM 206 CA TRP A 12 2.376 -4.341 -2.625 1.00 0.00 C ATOM 207 C TRP A 12 3.088 -3.000 -2.547 1.00 0.00 C ATOM 208 O TRP A 12 2.545 -1.998 -2.071 1.00 0.00 O ATOM 209 CB TRP A 12 1.873 -4.613 -4.044 1.00 0.00 C ATOM 210 CG TRP A 12 0.780 -3.712 -4.522 1.00 0.00 C ATOM 211 CD1 TRP A 12 -0.530 -3.954 -4.317 1.00 0.00 C ATOM 212 CD2 TRP A 12 0.839 -2.488 -5.325 1.00 0.00 C ATOM 213 NE1 TRP A 12 -1.275 -2.951 -4.878 1.00 0.00 N ATOM 214 CE2 TRP A 12 -0.496 -2.061 -5.573 1.00 0.00 C ATOM 215 CE3 TRP A 12 1.860 -1.724 -5.929 1.00 0.00 C ATOM 216 CZ2 TRP A 12 -0.811 -0.988 -6.417 1.00 0.00 C ATOM 217 CZ3 TRP A 12 1.549 -0.663 -6.804 1.00 0.00 C ATOM 218 CH2 TRP A 12 0.220 -0.299 -7.060 1.00 0.00 C ATOM 0 H TRP A 12 0.458 -3.815 -2.036 1.00 0.00 H new ATOM 0 HA TRP A 12 3.061 -5.151 -2.377 1.00 0.00 H new ATOM 0 HB2 TRP A 12 2.715 -4.531 -4.731 1.00 0.00 H new ATOM 0 HB3 TRP A 12 1.520 -5.643 -4.095 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -0.931 -4.808 -3.791 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.288 -2.875 -4.790 1.00 0.00 H new ATOM 0 HE3 TRP A 12 2.894 -1.955 -5.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.840 -0.697 -6.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 2.349 -0.121 -7.286 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -0.004 0.504 -7.746 1.00 0.00 H new ATOM 229 N VAL A 13 4.330 -2.992 -3.004 1.00 0.00 N ATOM 230 CA VAL A 13 5.251 -1.898 -2.830 1.00 0.00 C ATOM 231 C VAL A 13 6.009 -1.813 -4.140 1.00 0.00 C ATOM 232 O VAL A 13 6.783 -2.707 -4.449 1.00 0.00 O ATOM 233 CB VAL A 13 6.182 -2.175 -1.628 1.00 0.00 C ATOM 234 CG1 VAL A 13 6.786 -0.853 -1.158 1.00 0.00 C ATOM 235 CG2 VAL A 13 5.494 -2.856 -0.427 1.00 0.00 C ATOM 0 H VAL A 13 4.730 -3.775 -3.521 1.00 0.00 H new ATOM 0 HA VAL A 13 4.755 -0.953 -2.608 1.00 0.00 H new ATOM 0 HB VAL A 13 6.938 -2.874 -1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.445 -1.036 -0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.357 -0.404 -1.971 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.988 -0.175 -0.858 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.222 -3.012 0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.687 -2.221 -0.062 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.086 -3.818 -0.739 1.00 0.00 H new ATOM 245 N SER A 14 5.744 -0.792 -4.946 1.00 0.00 N ATOM 246 CA SER A 14 6.230 -0.673 -6.312 1.00 0.00 C ATOM 247 C SER A 14 7.369 0.335 -6.387 1.00 0.00 C ATOM 248 O SER A 14 7.206 1.469 -6.845 1.00 0.00 O ATOM 249 CB SER A 14 5.057 -0.266 -7.186 1.00 0.00 C ATOM 250 OG SER A 14 4.573 -1.378 -7.908 1.00 0.00 O ATOM 0 H SER A 14 5.168 -0.002 -4.657 1.00 0.00 H new ATOM 0 HA SER A 14 6.632 -1.623 -6.664 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.261 0.149 -6.568 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.365 0.518 -7.877 1.00 0.00 H new ATOM 0 HG SER A 14 3.733 -1.139 -8.353 1.00 0.00 H new ATOM 256 N ILE A 15 8.531 -0.084 -5.909 1.00 0.00 N ATOM 257 CA ILE A 15 9.750 0.701 -5.896 1.00 0.00 C ATOM 258 C ILE A 15 10.175 0.964 -7.346 1.00 0.00 C ATOM 259 O ILE A 15 9.974 0.130 -8.243 1.00 0.00 O ATOM 260 CB ILE A 15 10.808 -0.062 -5.074 1.00 0.00 C ATOM 261 CG1 ILE A 15 10.333 -0.322 -3.626 1.00 0.00 C ATOM 262 CG2 ILE A 15 12.149 0.671 -5.033 1.00 0.00 C ATOM 263 CD1 ILE A 15 9.814 -1.742 -3.413 1.00 0.00 C ATOM 0 H ILE A 15 8.652 -1.013 -5.506 1.00 0.00 H new ATOM 0 HA ILE A 15 9.612 1.673 -5.422 1.00 0.00 H new ATOM 0 HB ILE A 15 10.946 -1.016 -5.583 1.00 0.00 H new ATOM 0 HG12 ILE A 15 11.159 -0.137 -2.940 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.545 0.388 -3.375 1.00 0.00 H new ATOM 0 HG21 ILE A 15 12.861 0.094 -4.443 1.00 0.00 H new ATOM 0 HG22 ILE A 15 12.530 0.789 -6.047 1.00 0.00 H new ATOM 0 HG23 ILE A 15 12.013 1.653 -4.580 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.496 -1.862 -2.377 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.968 -1.923 -4.076 1.00 0.00 H new ATOM 0 HD13 ILE A 15 10.607 -2.456 -3.634 1.00 0.00 H new ATOM 275 N GLU A 16 10.766 2.135 -7.583 1.00 0.00 N ATOM 276 CA GLU A 16 11.244 2.530 -8.896 1.00 0.00 C ATOM 277 C GLU A 16 12.594 3.238 -8.826 1.00 0.00 C ATOM 278 O GLU A 16 13.585 2.654 -9.268 1.00 0.00 O ATOM 279 CB GLU A 16 10.170 3.273 -9.704 1.00 0.00 C ATOM 280 CG GLU A 16 9.324 4.293 -8.934 1.00 0.00 C ATOM 281 CD GLU A 16 8.182 4.813 -9.803 1.00 0.00 C ATOM 282 OE1 GLU A 16 7.401 4.004 -10.354 1.00 0.00 O ATOM 283 OE2 GLU A 16 7.992 6.044 -9.885 1.00 0.00 O ATOM 0 H GLU A 16 10.925 2.837 -6.860 1.00 0.00 H new ATOM 0 HA GLU A 16 11.437 1.621 -9.466 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.659 3.789 -10.530 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.499 2.534 -10.142 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.921 3.832 -8.033 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.951 5.125 -8.613 1.00 0.00 H new ATOM 290 N ASP A 17 12.677 4.464 -8.311 1.00 0.00 N ATOM 291 CA ASP A 17 13.936 5.228 -8.299 1.00 0.00 C ATOM 292 C ASP A 17 14.295 5.663 -6.890 1.00 0.00 C ATOM 293 O ASP A 17 15.260 5.157 -6.322 1.00 0.00 O ATOM 294 CB ASP A 17 13.883 6.396 -9.292 1.00 0.00 C ATOM 295 CG ASP A 17 15.154 6.496 -10.134 1.00 0.00 C ATOM 296 OD1 ASP A 17 15.616 5.433 -10.616 1.00 0.00 O ATOM 297 OD2 ASP A 17 15.638 7.629 -10.355 1.00 0.00 O ATOM 0 H ASP A 17 11.887 4.956 -7.894 1.00 0.00 H new ATOM 0 HA ASP A 17 14.741 4.575 -8.636 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.022 6.273 -9.950 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.736 7.328 -8.746 1.00 0.00 H new ATOM 302 N LYS A 18 13.457 6.482 -6.265 1.00 0.00 N ATOM 303 CA LYS A 18 13.502 6.801 -4.831 1.00 0.00 C ATOM 304 C LYS A 18 12.092 6.821 -4.242 1.00 0.00 C ATOM 305 O LYS A 18 11.900 7.353 -3.153 1.00 0.00 O ATOM 306 CB LYS A 18 14.210 8.146 -4.577 1.00 0.00 C ATOM 307 CG LYS A 18 15.692 8.152 -4.980 1.00 0.00 C ATOM 308 CD LYS A 18 16.276 9.569 -5.023 1.00 0.00 C ATOM 309 CE LYS A 18 16.198 10.187 -6.427 1.00 0.00 C ATOM 310 NZ LYS A 18 14.825 10.403 -6.933 1.00 0.00 N ATOM 0 H LYS A 18 12.700 6.961 -6.753 1.00 0.00 H new ATOM 0 HA LYS A 18 14.078 6.020 -4.334 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.690 8.929 -5.128 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.130 8.394 -3.519 1.00 0.00 H new ATOM 0 HG2 LYS A 18 16.261 7.548 -4.273 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.802 7.686 -5.959 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.738 10.203 -4.318 1.00 0.00 H new ATOM 0 HD3 LYS A 18 17.316 9.541 -4.697 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.722 11.143 -6.418 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.730 9.539 -7.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.863 10.943 -7.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.370 9.484 -7.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.275 10.934 -6.228 1.00 0.00 H new ATOM 324 N VAL A 19 11.096 6.273 -4.938 1.00 0.00 N ATOM 325 CA VAL A 19 9.703 6.262 -4.511 1.00 0.00 C ATOM 326 C VAL A 19 9.182 4.834 -4.693 1.00 0.00 C ATOM 327 O VAL A 19 9.642 4.120 -5.591 1.00 0.00 O ATOM 328 CB VAL A 19 8.912 7.331 -5.312 1.00 0.00 C ATOM 329 CG1 VAL A 19 7.409 7.344 -5.009 1.00 0.00 C ATOM 330 CG2 VAL A 19 9.397 8.756 -5.000 1.00 0.00 C ATOM 0 H VAL A 19 11.243 5.814 -5.837 1.00 0.00 H new ATOM 0 HA VAL A 19 9.583 6.530 -3.461 1.00 0.00 H new ATOM 0 HB VAL A 19 9.088 7.051 -6.351 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.924 8.116 -5.606 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.980 6.373 -5.255 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.253 7.552 -3.950 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.817 9.473 -5.581 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.266 8.960 -3.937 1.00 0.00 H new ATOM 0 HG23 VAL A 19 10.452 8.846 -5.260 1.00 0.00 H new ATOM 340 N ALA A 20 8.211 4.433 -3.868 1.00 0.00 N ATOM 341 CA ALA A 20 7.401 3.232 -4.027 1.00 0.00 C ATOM 342 C ALA A 20 5.947 3.670 -4.059 1.00 0.00 C ATOM 343 O ALA A 20 5.513 4.460 -3.218 1.00 0.00 O ATOM 344 CB ALA A 20 7.651 2.261 -2.867 1.00 0.00 C ATOM 0 H ALA A 20 7.960 4.964 -3.034 1.00 0.00 H new ATOM 0 HA ALA A 20 7.661 2.710 -4.948 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.039 1.369 -3.001 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.704 1.979 -2.849 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.389 2.744 -1.926 1.00 0.00 H new ATOM 350 N THR A 21 5.203 3.139 -5.022 1.00 0.00 N ATOM 351 CA THR A 21 3.750 3.181 -5.027 1.00 0.00 C ATOM 352 C THR A 21 3.289 2.107 -4.035 1.00 0.00 C ATOM 353 O THR A 21 3.586 0.932 -4.252 1.00 0.00 O ATOM 354 CB THR A 21 3.265 2.995 -6.483 1.00 0.00 C ATOM 355 OG1 THR A 21 3.572 4.162 -7.218 1.00 0.00 O ATOM 356 CG2 THR A 21 1.772 2.763 -6.726 1.00 0.00 C ATOM 0 H THR A 21 5.600 2.661 -5.831 1.00 0.00 H new ATOM 0 HA THR A 21 3.321 4.129 -4.702 1.00 0.00 H new ATOM 0 HB THR A 21 3.776 2.081 -6.785 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.314 4.036 -8.155 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.590 2.651 -7.795 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.455 1.858 -6.208 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.205 3.614 -6.349 1.00 0.00 H new ATOM 364 N VAL A 22 2.667 2.495 -2.917 1.00 0.00 N ATOM 365 CA VAL A 22 1.947 1.574 -2.038 1.00 0.00 C ATOM 366 C VAL A 22 0.512 1.423 -2.564 1.00 0.00 C ATOM 367 O VAL A 22 -0.153 2.423 -2.867 1.00 0.00 O ATOM 368 CB VAL A 22 1.947 2.104 -0.584 1.00 0.00 C ATOM 369 CG1 VAL A 22 1.487 1.012 0.395 1.00 0.00 C ATOM 370 CG2 VAL A 22 3.338 2.604 -0.152 1.00 0.00 C ATOM 0 H VAL A 22 2.650 3.463 -2.596 1.00 0.00 H new ATOM 0 HA VAL A 22 2.439 0.601 -2.034 1.00 0.00 H new ATOM 0 HB VAL A 22 1.251 2.943 -0.559 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.495 1.407 1.411 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.477 0.694 0.137 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.163 0.159 0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.291 2.967 0.875 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.055 1.785 -0.215 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.654 3.414 -0.809 1.00 0.00 H new ATOM 380 N GLY A 23 0.010 0.192 -2.611 1.00 0.00 N ATOM 381 CA GLY A 23 -1.402 -0.127 -2.782 1.00 0.00 C ATOM 382 C GLY A 23 -1.664 -1.479 -2.116 1.00 0.00 C ATOM 383 O GLY A 23 -0.716 -2.149 -1.689 1.00 0.00 O ATOM 0 H GLY A 23 0.596 -0.638 -2.528 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.025 0.646 -2.333 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.658 -0.167 -3.841 1.00 0.00 H new ATOM 387 N ILE A 24 -2.932 -1.875 -1.980 1.00 0.00 N ATOM 388 CA ILE A 24 -3.286 -3.118 -1.298 1.00 0.00 C ATOM 389 C ILE A 24 -3.336 -4.276 -2.291 1.00 0.00 C ATOM 390 O ILE A 24 -3.529 -4.074 -3.483 1.00 0.00 O ATOM 391 CB ILE A 24 -4.571 -2.980 -0.464 1.00 0.00 C ATOM 392 CG1 ILE A 24 -5.838 -2.838 -1.326 1.00 0.00 C ATOM 393 CG2 ILE A 24 -4.418 -1.821 0.530 1.00 0.00 C ATOM 394 CD1 ILE A 24 -7.111 -2.642 -0.501 1.00 0.00 C ATOM 0 H ILE A 24 -3.731 -1.350 -2.335 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.501 -3.346 -0.577 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.708 -3.907 0.092 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.717 -1.991 -2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.949 -3.727 -1.947 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.330 -1.725 1.120 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.576 -2.019 1.193 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.240 -0.895 -0.016 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.967 -2.549 -1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.255 -3.500 0.155 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.020 -1.737 0.100 1.00 0.00 H new ATOM 406 N THR A 25 -3.108 -5.506 -1.851 1.00 0.00 N ATOM 407 CA THR A 25 -3.301 -6.692 -2.683 1.00 0.00 C ATOM 408 C THR A 25 -4.735 -7.224 -2.502 1.00 0.00 C ATOM 409 O THR A 25 -5.403 -6.939 -1.509 1.00 0.00 O ATOM 410 CB THR A 25 -2.248 -7.752 -2.312 1.00 0.00 C ATOM 411 OG1 THR A 25 -2.186 -7.956 -0.915 1.00 0.00 O ATOM 412 CG2 THR A 25 -0.837 -7.378 -2.778 1.00 0.00 C ATOM 0 H THR A 25 -2.784 -5.713 -0.906 1.00 0.00 H new ATOM 0 HA THR A 25 -3.171 -6.440 -3.735 1.00 0.00 H new ATOM 0 HB THR A 25 -2.571 -8.659 -2.822 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.911 -8.878 -0.731 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.138 -8.163 -2.488 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.829 -7.268 -3.862 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.538 -6.437 -2.315 1.00 0.00 H new ATOM 420 N ASN A 26 -5.193 -8.095 -3.398 1.00 0.00 N ATOM 421 CA ASN A 26 -6.518 -8.691 -3.417 1.00 0.00 C ATOM 422 C ASN A 26 -6.960 -9.312 -2.126 1.00 0.00 C ATOM 423 O ASN A 26 -8.134 -9.112 -1.851 1.00 0.00 O ATOM 424 CB ASN A 26 -6.559 -9.745 -4.527 1.00 0.00 C ATOM 425 CG ASN A 26 -5.756 -11.008 -4.211 1.00 0.00 C ATOM 426 OD1 ASN A 26 -4.603 -10.943 -3.799 1.00 0.00 O ATOM 427 ND2 ASN A 26 -6.336 -12.181 -4.364 1.00 0.00 N ATOM 0 H ASN A 26 -4.613 -8.419 -4.172 1.00 0.00 H new ATOM 0 HA ASN A 26 -7.216 -7.873 -3.593 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.596 -10.023 -4.713 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.177 -9.304 -5.448 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.826 -13.035 -4.140 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.295 -12.235 -4.707 1.00 0.00 H new ATOM 434 N HIS A 27 -6.101 -9.972 -1.332 1.00 0.00 N ATOM 435 CA HIS A 27 -6.577 -10.525 -0.059 1.00 0.00 C ATOM 436 C HIS A 27 -7.353 -9.446 0.709 1.00 0.00 C ATOM 437 O HIS A 27 -8.356 -9.769 1.333 1.00 0.00 O ATOM 438 CB HIS A 27 -5.429 -11.128 0.770 1.00 0.00 C ATOM 439 CG HIS A 27 -5.906 -11.825 2.028 1.00 0.00 C ATOM 440 ND1 HIS A 27 -5.888 -13.189 2.275 1.00 0.00 N ATOM 441 CD2 HIS A 27 -6.491 -11.218 3.107 1.00 0.00 C ATOM 442 CE1 HIS A 27 -6.458 -13.393 3.476 1.00 0.00 C ATOM 443 NE2 HIS A 27 -6.849 -12.214 3.986 1.00 0.00 N ATOM 0 H HIS A 27 -5.115 -10.130 -1.538 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.256 -11.352 -0.265 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.879 -11.839 0.154 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.731 -10.336 1.043 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.643 -10.157 3.242 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -6.582 -14.353 3.955 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -7.330 -12.079 4.875 1.00 0.00 H new ATOM 452 N ALA A 28 -6.947 -8.179 0.600 1.00 0.00 N ATOM 453 CA ALA A 28 -7.624 -7.015 1.129 1.00 0.00 C ATOM 454 C ALA A 28 -8.990 -6.776 0.483 1.00 0.00 C ATOM 455 O ALA A 28 -9.992 -6.889 1.193 1.00 0.00 O ATOM 456 CB ALA A 28 -6.720 -5.798 0.912 1.00 0.00 C ATOM 0 H ALA A 28 -6.086 -7.935 0.110 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.813 -7.182 2.190 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.210 -4.906 1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.774 -5.950 1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.532 -5.670 -0.154 1.00 0.00 H new ATOM 462 N GLN A 29 -9.084 -6.390 -0.806 1.00 0.00 N ATOM 463 CA GLN A 29 -10.399 -6.005 -1.309 1.00 0.00 C ATOM 464 C GLN A 29 -11.336 -7.197 -1.327 1.00 0.00 C ATOM 465 O GLN A 29 -12.545 -7.011 -1.337 1.00 0.00 O ATOM 466 CB GLN A 29 -10.330 -5.377 -2.710 1.00 0.00 C ATOM 467 CG GLN A 29 -10.263 -6.295 -3.904 1.00 0.00 C ATOM 468 CD GLN A 29 -8.932 -6.638 -4.274 1.00 0.00 C ATOM 469 OE1 GLN A 29 -7.968 -6.006 -3.832 1.00 0.00 O ATOM 470 NE2 GLN A 29 -8.915 -7.702 -5.058 1.00 0.00 N ATOM 0 H GLN A 29 -8.314 -6.340 -1.473 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.786 -5.249 -0.626 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -11.205 -4.738 -2.831 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.455 -4.728 -2.740 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.819 -7.207 -3.685 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.757 -5.817 -4.750 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.792 -8.132 -5.353 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.025 -8.093 -5.368 1.00 0.00 H new ATOM 479 N GLU A 30 -10.802 -8.418 -1.401 1.00 0.00 N ATOM 480 CA GLU A 30 -11.569 -9.599 -1.587 1.00 0.00 C ATOM 481 C GLU A 30 -12.476 -9.756 -0.343 1.00 0.00 C ATOM 482 O GLU A 30 -13.646 -10.126 -0.467 1.00 0.00 O ATOM 483 CB GLU A 30 -10.549 -10.731 -1.643 1.00 0.00 C ATOM 484 CG GLU A 30 -10.100 -11.085 -3.073 1.00 0.00 C ATOM 485 CD GLU A 30 -10.823 -12.271 -3.709 1.00 0.00 C ATOM 486 OE1 GLU A 30 -12.021 -12.176 -4.040 1.00 0.00 O ATOM 487 OE2 GLU A 30 -10.173 -13.322 -3.917 1.00 0.00 O ATOM 0 H GLU A 30 -9.799 -8.591 -1.329 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.190 -9.587 -2.483 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.675 -10.451 -1.055 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.977 -11.618 -1.175 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.243 -10.211 -3.708 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.031 -11.297 -3.058 1.00 0.00 H new ATOM 494 N GLN A 31 -11.943 -9.468 0.867 1.00 0.00 N ATOM 495 CA GLN A 31 -12.732 -9.408 2.101 1.00 0.00 C ATOM 496 C GLN A 31 -13.579 -8.136 2.186 1.00 0.00 C ATOM 497 O GLN A 31 -14.795 -8.232 2.364 1.00 0.00 O ATOM 498 CB GLN A 31 -11.992 -9.680 3.423 1.00 0.00 C ATOM 499 CG GLN A 31 -10.732 -8.857 3.540 1.00 0.00 C ATOM 500 CD GLN A 31 -9.800 -9.249 4.685 1.00 0.00 C ATOM 501 OE1 GLN A 31 -8.579 -9.303 4.534 1.00 0.00 O ATOM 502 NE2 GLN A 31 -10.325 -9.442 5.878 1.00 0.00 N ATOM 0 H GLN A 31 -10.952 -9.272 1.006 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.388 -10.272 1.999 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.652 -9.456 4.261 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.742 -10.739 3.488 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.181 -8.932 2.603 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -11.011 -7.811 3.663 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.336 -9.397 6.003 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.720 -9.636 6.676 1.00 0.00 H new ATOM 511 N LEU A 32 -12.965 -6.947 2.100 1.00 0.00 N ATOM 512 CA LEU A 32 -13.672 -5.688 2.376 1.00 0.00 C ATOM 513 C LEU A 32 -14.784 -5.424 1.362 1.00 0.00 C ATOM 514 O LEU A 32 -15.834 -4.895 1.730 1.00 0.00 O ATOM 515 CB LEU A 32 -12.714 -4.483 2.385 1.00 0.00 C ATOM 516 CG LEU A 32 -11.774 -4.286 3.599 1.00 0.00 C ATOM 517 CD1 LEU A 32 -11.737 -2.791 3.959 1.00 0.00 C ATOM 518 CD2 LEU A 32 -12.148 -5.078 4.861 1.00 0.00 C ATOM 0 H LEU A 32 -11.985 -6.831 1.843 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.112 -5.804 3.367 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.091 -4.550 1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.318 -3.581 2.285 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.805 -4.672 3.281 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.078 -2.639 4.814 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.365 -2.221 3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.742 -2.453 4.211 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.426 -4.868 5.650 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.144 -4.784 5.193 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.140 -6.145 4.637 1.00 0.00 H new ATOM 530 N GLY A 33 -14.555 -5.804 0.110 1.00 0.00 N ATOM 531 CA GLY A 33 -15.462 -5.576 -0.989 1.00 0.00 C ATOM 532 C GLY A 33 -15.590 -4.087 -1.259 1.00 0.00 C ATOM 533 O GLY A 33 -14.593 -3.353 -1.305 1.00 0.00 O ATOM 0 H GLY A 33 -13.704 -6.294 -0.168 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.099 -6.086 -1.882 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.440 -5.997 -0.757 1.00 0.00 H new ATOM 537 N ASP A 34 -16.833 -3.684 -1.487 1.00 0.00 N ATOM 538 CA ASP A 34 -17.293 -2.372 -1.898 1.00 0.00 C ATOM 539 C ASP A 34 -16.804 -1.311 -0.912 1.00 0.00 C ATOM 540 O ASP A 34 -17.241 -1.275 0.247 1.00 0.00 O ATOM 541 CB ASP A 34 -18.827 -2.377 -2.036 1.00 0.00 C ATOM 542 CG ASP A 34 -19.291 -3.256 -3.203 1.00 0.00 C ATOM 543 OD1 ASP A 34 -19.047 -4.486 -3.179 1.00 0.00 O ATOM 544 OD2 ASP A 34 -19.823 -2.694 -4.187 1.00 0.00 O ATOM 0 H ASP A 34 -17.614 -4.331 -1.378 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.876 -2.123 -2.874 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -19.274 -2.737 -1.109 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -19.182 -1.357 -2.186 1.00 0.00 H new ATOM 549 N VAL A 35 -15.878 -0.461 -1.358 1.00 0.00 N ATOM 550 CA VAL A 35 -15.451 0.706 -0.606 1.00 0.00 C ATOM 551 C VAL A 35 -16.275 1.921 -1.031 1.00 0.00 C ATOM 552 O VAL A 35 -17.091 1.927 -1.955 1.00 0.00 O ATOM 553 CB VAL A 35 -13.931 0.989 -0.703 1.00 0.00 C ATOM 554 CG1 VAL A 35 -13.384 1.629 0.590 1.00 0.00 C ATOM 555 CG2 VAL A 35 -13.076 -0.260 -0.841 1.00 0.00 C ATOM 0 H VAL A 35 -15.405 -0.568 -2.255 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.633 0.492 0.447 1.00 0.00 H new ATOM 0 HB VAL A 35 -13.861 1.629 -1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.315 1.812 0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.897 2.573 0.774 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.553 0.955 1.430 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.025 0.023 -0.903 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.228 -0.903 0.026 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.361 -0.798 -1.745 1.00 0.00 H new ATOM 565 N VAL A 36 -16.030 2.968 -0.272 1.00 0.00 N ATOM 566 CA VAL A 36 -16.813 4.154 -0.075 1.00 0.00 C ATOM 567 C VAL A 36 -15.887 5.315 0.265 1.00 0.00 C ATOM 568 O VAL A 36 -16.141 6.431 -0.182 1.00 0.00 O ATOM 569 CB VAL A 36 -17.762 3.883 1.108 1.00 0.00 C ATOM 570 CG1 VAL A 36 -18.973 3.059 0.651 1.00 0.00 C ATOM 571 CG2 VAL A 36 -17.112 3.216 2.327 1.00 0.00 C ATOM 0 H VAL A 36 -15.175 3.005 0.283 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.378 4.407 -0.972 1.00 0.00 H new ATOM 0 HB VAL A 36 -18.073 4.872 1.445 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.631 2.878 1.501 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -19.516 3.607 -0.119 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.633 2.106 0.246 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -17.862 3.068 3.104 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -16.697 2.251 2.036 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.315 3.854 2.709 1.00 0.00 H new ATOM 581 N TYR A 37 -14.824 5.058 1.035 1.00 0.00 N ATOM 582 CA TYR A 37 -13.962 6.105 1.562 1.00 0.00 C ATOM 583 C TYR A 37 -12.566 5.558 1.863 1.00 0.00 C ATOM 584 O TYR A 37 -12.418 4.376 2.192 1.00 0.00 O ATOM 585 CB TYR A 37 -14.593 6.682 2.847 1.00 0.00 C ATOM 586 CG TYR A 37 -13.782 7.830 3.409 1.00 0.00 C ATOM 587 CD1 TYR A 37 -13.570 8.971 2.611 1.00 0.00 C ATOM 588 CD2 TYR A 37 -13.076 7.672 4.618 1.00 0.00 C ATOM 589 CE1 TYR A 37 -12.614 9.929 2.978 1.00 0.00 C ATOM 590 CE2 TYR A 37 -12.114 8.631 4.990 1.00 0.00 C ATOM 591 CZ TYR A 37 -11.868 9.749 4.161 1.00 0.00 C ATOM 592 OH TYR A 37 -10.809 10.560 4.414 1.00 0.00 O ATOM 0 H TYR A 37 -14.543 4.116 1.307 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.863 6.893 0.815 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -15.605 7.024 2.632 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.675 5.895 3.596 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -14.148 9.109 1.709 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -13.271 6.822 5.255 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -12.450 10.799 2.359 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.563 8.512 5.911 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.014 10.212 3.958 1.00 0.00 H new ATOM 602 N VAL A 38 -11.554 6.427 1.824 1.00 0.00 N ATOM 603 CA VAL A 38 -10.210 6.112 2.268 1.00 0.00 C ATOM 604 C VAL A 38 -9.654 7.270 3.060 1.00 0.00 C ATOM 605 O VAL A 38 -9.796 8.434 2.693 1.00 0.00 O ATOM 606 CB VAL A 38 -9.300 5.691 1.099 1.00 0.00 C ATOM 607 CG1 VAL A 38 -9.848 4.516 0.280 1.00 0.00 C ATOM 608 CG2 VAL A 38 -9.003 6.829 0.114 1.00 0.00 C ATOM 0 H VAL A 38 -11.655 7.381 1.477 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.250 5.245 2.927 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.383 5.389 1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.152 4.278 -0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.967 3.646 0.926 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.814 4.788 -0.144 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.357 6.461 -0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.937 7.192 -0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -8.504 7.643 0.639 1.00 0.00 H new ATOM 618 N ASP A 39 -9.033 6.923 4.177 1.00 0.00 N ATOM 619 CA ASP A 39 -8.152 7.820 4.875 1.00 0.00 C ATOM 620 C ASP A 39 -6.879 7.875 4.031 1.00 0.00 C ATOM 621 O ASP A 39 -6.333 6.827 3.687 1.00 0.00 O ATOM 622 CB ASP A 39 -7.953 7.303 6.312 1.00 0.00 C ATOM 623 CG ASP A 39 -6.650 7.723 6.993 1.00 0.00 C ATOM 624 OD1 ASP A 39 -6.427 8.951 7.089 1.00 0.00 O ATOM 625 OD2 ASP A 39 -5.963 6.811 7.520 1.00 0.00 O ATOM 0 H ASP A 39 -9.132 6.009 4.618 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.536 8.834 4.990 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.788 7.648 6.922 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.999 6.214 6.296 1.00 0.00 H new ATOM 630 N LEU A 40 -6.462 9.059 3.587 1.00 0.00 N ATOM 631 CA LEU A 40 -5.198 9.286 2.888 1.00 0.00 C ATOM 632 C LEU A 40 -4.373 10.263 3.717 1.00 0.00 C ATOM 633 O LEU A 40 -4.925 11.225 4.267 1.00 0.00 O ATOM 634 CB LEU A 40 -5.382 9.864 1.469 1.00 0.00 C ATOM 635 CG LEU A 40 -5.908 8.839 0.455 1.00 0.00 C ATOM 636 CD1 LEU A 40 -6.627 9.564 -0.688 1.00 0.00 C ATOM 637 CD2 LEU A 40 -4.771 7.976 -0.106 1.00 0.00 C ATOM 0 H LEU A 40 -7.009 9.911 3.707 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.702 8.322 2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.073 10.706 1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.427 10.254 1.117 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.608 8.180 0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.999 8.833 -1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.463 10.136 -0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.931 10.239 -1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.176 7.260 -0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.042 8.614 -0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.285 7.439 0.709 1.00 0.00 H new ATOM 649 N PRO A 41 -3.053 10.048 3.777 1.00 0.00 N ATOM 650 CA PRO A 41 -2.156 10.899 4.526 1.00 0.00 C ATOM 651 C PRO A 41 -1.881 12.219 3.802 1.00 0.00 C ATOM 652 O PRO A 41 -2.368 12.488 2.701 1.00 0.00 O ATOM 653 CB PRO A 41 -0.894 10.062 4.733 1.00 0.00 C ATOM 654 CG PRO A 41 -0.893 9.057 3.581 1.00 0.00 C ATOM 655 CD PRO A 41 -2.344 8.938 3.162 1.00 0.00 C ATOM 0 HA PRO A 41 -2.585 11.204 5.480 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.000 10.685 4.714 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.910 9.556 5.698 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.271 9.404 2.756 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.494 8.094 3.898 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.437 8.974 2.077 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.763 7.985 3.486 1.00 0.00 H new ATOM 663 N GLU A 42 -1.073 13.065 4.430 1.00 0.00 N ATOM 664 CA GLU A 42 -0.587 14.309 3.859 1.00 0.00 C ATOM 665 C GLU A 42 0.584 14.033 2.902 1.00 0.00 C ATOM 666 O GLU A 42 1.280 13.029 3.050 1.00 0.00 O ATOM 667 CB GLU A 42 -0.161 15.233 5.001 1.00 0.00 C ATOM 668 CG GLU A 42 -0.687 16.643 4.751 1.00 0.00 C ATOM 669 CD GLU A 42 -0.052 17.594 5.766 1.00 0.00 C ATOM 670 OE1 GLU A 42 -0.631 17.754 6.867 1.00 0.00 O ATOM 671 OE2 GLU A 42 1.100 18.036 5.555 1.00 0.00 O ATOM 0 H GLU A 42 -0.730 12.897 5.376 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.375 14.791 3.281 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.545 14.855 5.949 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.926 15.250 5.081 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.448 16.960 3.736 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.773 16.663 4.844 1.00 0.00 H new ATOM 678 N VAL A 43 0.869 14.941 1.963 1.00 0.00 N ATOM 679 CA VAL A 43 1.831 14.755 0.864 1.00 0.00 C ATOM 680 C VAL A 43 3.303 14.950 1.299 1.00 0.00 C ATOM 681 O VAL A 43 4.205 15.109 0.491 1.00 0.00 O ATOM 682 CB VAL A 43 1.376 15.639 -0.327 1.00 0.00 C ATOM 683 CG1 VAL A 43 2.098 16.984 -0.439 1.00 0.00 C ATOM 684 CG2 VAL A 43 1.524 14.907 -1.660 1.00 0.00 C ATOM 0 H VAL A 43 0.423 15.858 1.944 1.00 0.00 H new ATOM 0 HA VAL A 43 1.825 13.716 0.535 1.00 0.00 H new ATOM 0 HB VAL A 43 0.328 15.846 -0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.715 17.532 -1.299 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.927 17.565 0.467 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.167 16.814 -0.565 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.196 15.557 -2.471 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.569 14.636 -1.812 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.913 14.004 -1.649 1.00 0.00 H new ATOM 694 N GLY A 44 3.538 14.932 2.597 1.00 0.00 N ATOM 695 CA GLY A 44 4.796 15.141 3.288 1.00 0.00 C ATOM 696 C GLY A 44 4.788 14.489 4.672 1.00 0.00 C ATOM 697 O GLY A 44 5.617 14.836 5.517 1.00 0.00 O ATOM 0 H GLY A 44 2.781 14.754 3.257 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.612 14.728 2.694 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.984 16.210 3.389 1.00 0.00 H new ATOM 701 N ARG A 45 3.841 13.587 4.962 1.00 0.00 N ATOM 702 CA ARG A 45 3.783 12.953 6.275 1.00 0.00 C ATOM 703 C ARG A 45 4.919 11.941 6.390 1.00 0.00 C ATOM 704 O ARG A 45 5.086 11.105 5.504 1.00 0.00 O ATOM 705 CB ARG A 45 2.410 12.307 6.470 1.00 0.00 C ATOM 706 CG ARG A 45 2.221 11.887 7.928 1.00 0.00 C ATOM 707 CD ARG A 45 0.824 11.305 8.124 1.00 0.00 C ATOM 708 NE ARG A 45 0.512 11.233 9.561 1.00 0.00 N ATOM 709 CZ ARG A 45 -0.179 12.150 10.252 1.00 0.00 C ATOM 710 NH1 ARG A 45 -0.924 13.067 9.642 1.00 0.00 N ATOM 711 NH2 ARG A 45 -0.125 12.178 11.578 1.00 0.00 N ATOM 0 H ARG A 45 3.116 13.286 4.311 1.00 0.00 H new ATOM 0 HA ARG A 45 3.911 13.692 7.066 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.627 13.008 6.183 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.314 11.438 5.819 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.974 11.149 8.203 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.362 12.746 8.584 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.087 11.924 7.613 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.768 10.311 7.680 1.00 0.00 H new ATOM 0 HE ARG A 45 0.850 10.418 10.073 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.980 13.084 8.624 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.440 13.753 10.192 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.446 11.498 12.080 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.654 12.880 12.095 1.00 0.00 H new ATOM 725 N GLU A 46 5.722 12.008 7.445 1.00 0.00 N ATOM 726 CA GLU A 46 6.741 10.992 7.700 1.00 0.00 C ATOM 727 C GLU A 46 6.057 9.717 8.183 1.00 0.00 C ATOM 728 O GLU A 46 5.045 9.791 8.884 1.00 0.00 O ATOM 729 CB GLU A 46 7.779 11.465 8.726 1.00 0.00 C ATOM 730 CG GLU A 46 9.127 11.796 8.070 1.00 0.00 C ATOM 731 CD GLU A 46 10.275 11.828 9.089 1.00 0.00 C ATOM 732 OE1 GLU A 46 10.403 10.853 9.875 1.00 0.00 O ATOM 733 OE2 GLU A 46 11.026 12.830 9.102 1.00 0.00 O ATOM 0 H GLU A 46 5.689 12.755 8.139 1.00 0.00 H new ATOM 0 HA GLU A 46 7.278 10.800 6.771 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.401 12.347 9.243 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.923 10.691 9.479 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.347 11.055 7.301 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.059 12.763 7.571 1.00 0.00 H new ATOM 740 N VAL A 47 6.611 8.554 7.840 1.00 0.00 N ATOM 741 CA VAL A 47 6.073 7.246 8.189 1.00 0.00 C ATOM 742 C VAL A 47 7.209 6.272 8.518 1.00 0.00 C ATOM 743 O VAL A 47 8.384 6.520 8.233 1.00 0.00 O ATOM 744 CB VAL A 47 5.172 6.715 7.048 1.00 0.00 C ATOM 745 CG1 VAL A 47 3.978 7.643 6.795 1.00 0.00 C ATOM 746 CG2 VAL A 47 5.908 6.495 5.716 1.00 0.00 C ATOM 0 H VAL A 47 7.472 8.498 7.296 1.00 0.00 H new ATOM 0 HA VAL A 47 5.454 7.341 9.081 1.00 0.00 H new ATOM 0 HB VAL A 47 4.831 5.742 7.403 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.368 7.239 5.988 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.377 7.718 7.701 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.339 8.633 6.516 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.206 6.123 4.970 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.333 7.439 5.375 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.707 5.767 5.858 1.00 0.00 H new ATOM 756 N LYS A 48 6.849 5.121 9.080 1.00 0.00 N ATOM 757 CA LYS A 48 7.726 3.990 9.336 1.00 0.00 C ATOM 758 C LYS A 48 7.110 2.753 8.707 1.00 0.00 C ATOM 759 O LYS A 48 5.934 2.775 8.350 1.00 0.00 O ATOM 760 CB LYS A 48 7.894 3.803 10.835 1.00 0.00 C ATOM 761 CG LYS A 48 8.965 4.734 11.414 1.00 0.00 C ATOM 762 CD LYS A 48 8.548 5.189 12.805 1.00 0.00 C ATOM 763 CE LYS A 48 8.297 3.991 13.721 1.00 0.00 C ATOM 764 NZ LYS A 48 7.626 4.424 14.950 1.00 0.00 N ATOM 0 H LYS A 48 5.891 4.947 9.383 1.00 0.00 H new ATOM 0 HA LYS A 48 8.710 4.165 8.902 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.943 3.991 11.333 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.163 2.767 11.043 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.923 4.217 11.462 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.101 5.598 10.763 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.326 5.822 13.233 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.645 5.795 12.738 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.684 3.252 13.205 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.242 3.507 13.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.461 3.601 15.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.225 5.113 15.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.715 4.866 14.711 1.00 0.00 H new ATOM 778 N LYS A 49 7.852 1.651 8.667 1.00 0.00 N ATOM 779 CA LYS A 49 7.469 0.387 8.035 1.00 0.00 C ATOM 780 C LYS A 49 6.346 -0.391 8.720 1.00 0.00 C ATOM 781 O LYS A 49 6.262 -1.614 8.609 1.00 0.00 O ATOM 782 CB LYS A 49 8.742 -0.429 7.793 1.00 0.00 C ATOM 783 CG LYS A 49 9.542 -0.937 8.994 1.00 0.00 C ATOM 784 CD LYS A 49 9.152 -2.338 9.479 1.00 0.00 C ATOM 785 CE LYS A 49 8.413 -2.287 10.819 1.00 0.00 C ATOM 786 NZ LYS A 49 8.962 -3.268 11.772 1.00 0.00 N ATOM 0 H LYS A 49 8.778 1.610 9.092 1.00 0.00 H new ATOM 0 HA LYS A 49 6.996 0.623 7.082 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.467 -1.296 7.192 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.412 0.180 7.186 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.600 -0.939 8.733 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.419 -0.235 9.818 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.520 -2.819 8.733 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.048 -2.951 9.580 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.490 -1.285 11.241 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.353 -2.486 10.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.441 -3.209 12.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.866 -4.226 11.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.967 -3.062 11.941 1.00 0.00 H new ATOM 800 N GLY A 50 5.492 0.294 9.463 1.00 0.00 N ATOM 801 CA GLY A 50 4.232 -0.222 9.973 1.00 0.00 C ATOM 802 C GLY A 50 3.182 0.869 10.187 1.00 0.00 C ATOM 803 O GLY A 50 2.227 0.635 10.926 1.00 0.00 O ATOM 0 H GLY A 50 5.664 1.261 9.738 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.841 -0.963 9.276 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.412 -0.736 10.917 1.00 0.00 H new ATOM 807 N GLU A 51 3.349 2.074 9.639 1.00 0.00 N ATOM 808 CA GLU A 51 2.525 3.228 10.002 1.00 0.00 C ATOM 809 C GLU A 51 1.132 3.120 9.368 1.00 0.00 C ATOM 810 O GLU A 51 1.013 3.170 8.146 1.00 0.00 O ATOM 811 CB GLU A 51 3.249 4.531 9.599 1.00 0.00 C ATOM 812 CG GLU A 51 3.424 5.547 10.735 1.00 0.00 C ATOM 813 CD GLU A 51 4.352 5.097 11.877 1.00 0.00 C ATOM 814 OE1 GLU A 51 4.629 3.889 12.067 1.00 0.00 O ATOM 815 OE2 GLU A 51 4.822 5.981 12.629 1.00 0.00 O ATOM 0 H GLU A 51 4.057 2.277 8.933 1.00 0.00 H new ATOM 0 HA GLU A 51 2.380 3.246 11.082 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.232 4.276 9.203 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.693 5.004 8.790 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.814 6.474 10.315 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.443 5.774 11.153 1.00 0.00 H new ATOM 822 N VAL A 52 0.071 2.961 10.161 1.00 0.00 N ATOM 823 CA VAL A 52 -1.303 3.015 9.689 1.00 0.00 C ATOM 824 C VAL A 52 -1.673 4.472 9.441 1.00 0.00 C ATOM 825 O VAL A 52 -2.080 5.189 10.351 1.00 0.00 O ATOM 826 CB VAL A 52 -2.256 2.211 10.597 1.00 0.00 C ATOM 827 CG1 VAL A 52 -1.962 2.299 12.095 1.00 0.00 C ATOM 828 CG2 VAL A 52 -3.749 2.479 10.332 1.00 0.00 C ATOM 0 H VAL A 52 0.149 2.789 11.163 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.411 2.507 8.731 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.039 1.185 10.299 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.688 1.699 12.644 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.958 1.923 12.291 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.030 3.338 12.419 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.353 1.876 11.010 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.964 3.535 10.496 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.989 2.216 9.302 1.00 0.00 H new ATOM 838 N VAL A 53 -1.515 4.907 8.198 1.00 0.00 N ATOM 839 CA VAL A 53 -1.741 6.274 7.743 1.00 0.00 C ATOM 840 C VAL A 53 -2.712 6.336 6.565 1.00 0.00 C ATOM 841 O VAL A 53 -2.847 7.394 5.955 1.00 0.00 O ATOM 842 CB VAL A 53 -0.388 6.903 7.370 1.00 0.00 C ATOM 843 CG1 VAL A 53 0.492 7.092 8.601 1.00 0.00 C ATOM 844 CG2 VAL A 53 0.371 6.083 6.315 1.00 0.00 C ATOM 0 H VAL A 53 -1.212 4.289 7.445 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.202 6.838 8.554 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.616 7.877 6.938 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.441 7.538 8.305 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.012 7.748 9.311 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.676 6.125 9.069 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.319 6.571 6.088 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.562 5.081 6.701 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.228 6.014 5.407 1.00 0.00 H new ATOM 854 N ALA A 54 -3.297 5.199 6.176 1.00 0.00 N ATOM 855 CA ALA A 54 -4.045 5.084 4.939 1.00 0.00 C ATOM 856 C ALA A 54 -5.222 4.128 5.109 1.00 0.00 C ATOM 857 O ALA A 54 -5.485 3.303 4.227 1.00 0.00 O ATOM 858 CB ALA A 54 -3.077 4.656 3.838 1.00 0.00 C ATOM 0 H ALA A 54 -3.260 4.335 6.718 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.483 6.042 4.657 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.616 4.562 2.895 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.291 5.404 3.733 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.632 3.696 4.098 1.00 0.00 H new ATOM 864 N SER A 55 -5.876 4.188 6.271 1.00 0.00 N ATOM 865 CA SER A 55 -6.962 3.292 6.629 1.00 0.00 C ATOM 866 C SER A 55 -8.059 3.305 5.564 1.00 0.00 C ATOM 867 O SER A 55 -8.323 4.295 4.880 1.00 0.00 O ATOM 868 CB SER A 55 -7.531 3.670 8.004 1.00 0.00 C ATOM 869 OG SER A 55 -7.201 2.717 8.997 1.00 0.00 O ATOM 0 H SER A 55 -5.658 4.872 6.995 1.00 0.00 H new ATOM 0 HA SER A 55 -6.566 2.278 6.684 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.148 4.647 8.298 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.615 3.760 7.935 1.00 0.00 H new ATOM 0 HG SER A 55 -7.580 2.996 9.857 1.00 0.00 H new ATOM 875 N ILE A 56 -8.755 2.187 5.469 1.00 0.00 N ATOM 876 CA ILE A 56 -9.852 1.983 4.542 1.00 0.00 C ATOM 877 C ILE A 56 -11.100 1.886 5.410 1.00 0.00 C ATOM 878 O ILE A 56 -11.072 1.182 6.419 1.00 0.00 O ATOM 879 CB ILE A 56 -9.611 0.714 3.688 1.00 0.00 C ATOM 880 CG1 ILE A 56 -8.153 0.574 3.203 1.00 0.00 C ATOM 881 CG2 ILE A 56 -10.609 0.735 2.517 1.00 0.00 C ATOM 882 CD1 ILE A 56 -7.916 -0.561 2.205 1.00 0.00 C ATOM 0 H ILE A 56 -8.567 1.372 6.052 1.00 0.00 H new ATOM 0 HA ILE A 56 -9.953 2.796 3.823 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.778 -0.166 4.309 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.846 1.513 2.743 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.510 0.418 4.069 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -10.461 -0.149 1.897 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -11.627 0.739 2.907 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -10.446 1.630 1.916 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.864 -0.582 1.921 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -8.187 -1.512 2.664 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -8.528 -0.399 1.318 1.00 0.00 H new ATOM 894 N GLU A 57 -12.189 2.560 5.044 1.00 0.00 N ATOM 895 CA GLU A 57 -13.518 2.246 5.545 1.00 0.00 C ATOM 896 C GLU A 57 -14.323 1.779 4.346 1.00 0.00 C ATOM 897 O GLU A 57 -14.382 2.478 3.343 1.00 0.00 O ATOM 898 CB GLU A 57 -14.187 3.444 6.250 1.00 0.00 C ATOM 899 CG GLU A 57 -14.113 3.284 7.773 1.00 0.00 C ATOM 900 CD GLU A 57 -15.257 3.981 8.528 1.00 0.00 C ATOM 901 OE1 GLU A 57 -16.381 3.419 8.565 1.00 0.00 O ATOM 902 OE2 GLU A 57 -15.025 4.975 9.258 1.00 0.00 O ATOM 0 H GLU A 57 -12.170 3.342 4.389 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.461 1.472 6.311 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -13.695 4.370 5.952 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.228 3.522 5.937 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -14.123 2.222 8.018 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.162 3.683 8.125 1.00 0.00 H new ATOM 909 N SER A 58 -14.894 0.582 4.432 1.00 0.00 N ATOM 910 CA SER A 58 -15.795 0.031 3.429 1.00 0.00 C ATOM 911 C SER A 58 -17.240 0.223 3.877 1.00 0.00 C ATOM 912 O SER A 58 -17.491 0.846 4.917 1.00 0.00 O ATOM 913 CB SER A 58 -15.434 -1.440 3.182 1.00 0.00 C ATOM 914 OG SER A 58 -15.587 -2.199 4.371 1.00 0.00 O ATOM 0 H SER A 58 -14.739 -0.046 5.221 1.00 0.00 H new ATOM 0 HA SER A 58 -15.687 0.556 2.480 1.00 0.00 H new ATOM 0 HB2 SER A 58 -16.071 -1.850 2.398 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.406 -1.513 2.827 1.00 0.00 H new ATOM 0 HG SER A 58 -15.007 -1.832 5.070 1.00 0.00 H new ATOM 920 N VAL A 59 -18.185 -0.344 3.122 1.00 0.00 N ATOM 921 CA VAL A 59 -19.591 -0.416 3.495 1.00 0.00 C ATOM 922 C VAL A 59 -19.759 -0.795 4.971 1.00 0.00 C ATOM 923 O VAL A 59 -20.438 -0.067 5.702 1.00 0.00 O ATOM 924 CB VAL A 59 -20.359 -1.340 2.526 1.00 0.00 C ATOM 925 CG1 VAL A 59 -20.530 -0.647 1.167 1.00 0.00 C ATOM 926 CG2 VAL A 59 -19.721 -2.723 2.319 1.00 0.00 C ATOM 0 H VAL A 59 -17.985 -0.773 2.218 1.00 0.00 H new ATOM 0 HA VAL A 59 -20.036 0.574 3.397 1.00 0.00 H new ATOM 0 HB VAL A 59 -21.324 -1.521 2.999 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -21.073 -1.305 0.489 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -21.089 0.279 1.299 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -19.549 -0.422 0.747 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -20.328 -3.303 1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -18.717 -2.603 1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -19.665 -3.245 3.274 1.00 0.00 H new ATOM 936 N LYS A 60 -19.075 -1.841 5.457 1.00 0.00 N ATOM 937 CA LYS A 60 -18.951 -2.095 6.888 1.00 0.00 C ATOM 938 C LYS A 60 -17.765 -3.010 7.141 1.00 0.00 C ATOM 939 O LYS A 60 -17.914 -4.232 7.242 1.00 0.00 O ATOM 940 CB LYS A 60 -20.257 -2.647 7.488 1.00 0.00 C ATOM 941 CG LYS A 60 -20.096 -2.917 8.994 1.00 0.00 C ATOM 942 CD LYS A 60 -21.429 -3.060 9.728 1.00 0.00 C ATOM 943 CE LYS A 60 -22.087 -1.687 9.882 1.00 0.00 C ATOM 944 NZ LYS A 60 -23.171 -1.702 10.881 1.00 0.00 N ATOM 0 H LYS A 60 -18.598 -2.526 4.870 1.00 0.00 H new ATOM 0 HA LYS A 60 -18.768 -1.150 7.399 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -21.066 -1.935 7.326 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -20.536 -3.568 6.977 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -19.513 -3.828 9.133 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -19.527 -2.103 9.443 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -22.089 -3.729 9.176 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -21.268 -3.508 10.708 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -21.334 -0.955 10.175 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -22.486 -1.366 8.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -23.589 -0.753 10.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -23.903 -2.381 10.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -22.787 -1.983 11.806 1.00 0.00 H new ATOM 958 N ALA A 61 -16.595 -2.398 7.242 1.00 0.00 N ATOM 959 CA ALA A 61 -15.390 -2.878 7.900 1.00 0.00 C ATOM 960 C ALA A 61 -14.356 -1.772 7.753 1.00 0.00 C ATOM 961 O ALA A 61 -14.322 -1.118 6.704 1.00 0.00 O ATOM 962 CB ALA A 61 -14.835 -4.129 7.229 1.00 0.00 C ATOM 0 H ALA A 61 -16.453 -1.475 6.831 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.616 -3.126 8.937 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.935 -4.454 7.752 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -15.582 -4.922 7.264 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.591 -3.907 6.190 1.00 0.00 H new ATOM 968 N ALA A 62 -13.472 -1.625 8.737 1.00 0.00 N ATOM 969 CA ALA A 62 -12.231 -0.891 8.573 1.00 0.00 C ATOM 970 C ALA A 62 -11.110 -1.878 8.231 1.00 0.00 C ATOM 971 O ALA A 62 -11.145 -3.041 8.663 1.00 0.00 O ATOM 972 CB ALA A 62 -11.910 -0.110 9.852 1.00 0.00 C ATOM 0 H ALA A 62 -13.601 -2.015 9.671 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.327 -0.172 7.760 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.977 0.438 9.719 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.717 0.593 10.061 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -11.808 -0.804 10.686 1.00 0.00 H new ATOM 978 N ALA A 63 -10.086 -1.404 7.523 1.00 0.00 N ATOM 979 CA ALA A 63 -8.804 -2.080 7.398 1.00 0.00 C ATOM 980 C ALA A 63 -7.701 -1.037 7.481 1.00 0.00 C ATOM 981 O ALA A 63 -7.639 -0.114 6.672 1.00 0.00 O ATOM 982 CB ALA A 63 -8.691 -2.877 6.096 1.00 0.00 C ATOM 0 H ALA A 63 -10.129 -0.522 7.012 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.710 -2.801 8.210 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.716 -3.363 6.050 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.475 -3.633 6.063 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.801 -2.203 5.246 1.00 0.00 H new ATOM 988 N ASP A 64 -6.845 -1.206 8.475 1.00 0.00 N ATOM 989 CA ASP A 64 -5.559 -0.561 8.636 1.00 0.00 C ATOM 990 C ASP A 64 -4.709 -0.925 7.417 1.00 0.00 C ATOM 991 O ASP A 64 -4.599 -2.109 7.077 1.00 0.00 O ATOM 992 CB ASP A 64 -4.832 -1.037 9.930 1.00 0.00 C ATOM 993 CG ASP A 64 -5.569 -1.866 11.006 1.00 0.00 C ATOM 994 OD1 ASP A 64 -6.469 -2.682 10.698 1.00 0.00 O ATOM 995 OD2 ASP A 64 -5.141 -1.810 12.186 1.00 0.00 O ATOM 0 H ASP A 64 -7.048 -1.844 9.244 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.705 0.516 8.721 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.970 -1.623 9.613 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.447 -0.145 10.424 1.00 0.00 H new ATOM 1000 N VAL A 65 -4.091 0.066 6.769 1.00 0.00 N ATOM 1001 CA VAL A 65 -3.061 -0.154 5.765 1.00 0.00 C ATOM 1002 C VAL A 65 -1.750 0.363 6.377 1.00 0.00 C ATOM 1003 O VAL A 65 -1.681 1.551 6.701 1.00 0.00 O ATOM 1004 CB VAL A 65 -3.420 0.550 4.454 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -2.337 0.267 3.412 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -4.755 0.046 3.902 1.00 0.00 C ATOM 0 H VAL A 65 -4.298 1.051 6.932 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.962 -1.208 5.507 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.497 1.618 4.658 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.591 0.768 2.478 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.378 0.639 3.774 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.269 -0.807 3.241 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.983 0.565 2.971 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.690 -1.026 3.714 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.545 0.240 4.628 1.00 0.00 H new ATOM 1016 N TYR A 66 -0.754 -0.501 6.608 1.00 0.00 N ATOM 1017 CA TYR A 66 0.413 -0.198 7.436 1.00 0.00 C ATOM 1018 C TYR A 66 1.654 0.016 6.566 1.00 0.00 C ATOM 1019 O TYR A 66 2.321 -0.958 6.198 1.00 0.00 O ATOM 1020 CB TYR A 66 0.713 -1.360 8.379 1.00 0.00 C ATOM 1021 CG TYR A 66 -0.378 -1.770 9.333 1.00 0.00 C ATOM 1022 CD1 TYR A 66 -0.610 -1.065 10.524 1.00 0.00 C ATOM 1023 CD2 TYR A 66 -1.095 -2.942 9.065 1.00 0.00 C ATOM 1024 CE1 TYR A 66 -1.520 -1.575 11.469 1.00 0.00 C ATOM 1025 CE2 TYR A 66 -1.982 -3.470 10.002 1.00 0.00 C ATOM 1026 CZ TYR A 66 -2.190 -2.795 11.220 1.00 0.00 C ATOM 1027 OH TYR A 66 -3.060 -3.308 12.122 1.00 0.00 O ATOM 0 H TYR A 66 -0.739 -1.443 6.218 1.00 0.00 H new ATOM 0 HA TYR A 66 0.184 0.706 8.000 1.00 0.00 H new ATOM 0 HB2 TYR A 66 0.976 -2.227 7.774 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.595 -1.101 8.965 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.093 -0.136 10.714 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.959 -3.444 8.119 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.707 -1.034 12.385 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.506 -4.391 9.795 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.663 -2.601 12.434 1.00 0.00 H new ATOM 1037 N ALA A 67 2.008 1.283 6.341 1.00 0.00 N ATOM 1038 CA ALA A 67 3.054 1.751 5.438 1.00 0.00 C ATOM 1039 C ALA A 67 4.251 0.793 5.376 1.00 0.00 C ATOM 1040 O ALA A 67 4.785 0.426 6.422 1.00 0.00 O ATOM 1041 CB ALA A 67 3.531 3.149 5.848 1.00 0.00 C ATOM 0 H ALA A 67 1.541 2.055 6.816 1.00 0.00 H new ATOM 0 HA ALA A 67 2.613 1.790 4.442 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.311 3.482 5.164 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.693 3.845 5.810 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.928 3.115 6.862 1.00 0.00 H new ATOM 1047 N PRO A 68 4.674 0.356 4.180 1.00 0.00 N ATOM 1048 CA PRO A 68 5.472 -0.851 4.050 1.00 0.00 C ATOM 1049 C PRO A 68 6.939 -0.677 4.449 1.00 0.00 C ATOM 1050 O PRO A 68 7.544 -1.672 4.842 1.00 0.00 O ATOM 1051 CB PRO A 68 5.350 -1.243 2.579 1.00 0.00 C ATOM 1052 CG PRO A 68 5.084 0.077 1.864 1.00 0.00 C ATOM 1053 CD PRO A 68 4.229 0.822 2.879 1.00 0.00 C ATOM 0 HA PRO A 68 5.105 -1.617 4.733 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.262 -1.717 2.216 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.538 -1.953 2.421 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.007 0.611 1.638 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.561 -0.069 0.919 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.357 1.900 2.784 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.170 0.613 2.729 1.00 0.00 H new ATOM 1061 N LEU A 69 7.504 0.530 4.328 1.00 0.00 N ATOM 1062 CA LEU A 69 8.887 0.880 4.654 1.00 0.00 C ATOM 1063 C LEU A 69 8.884 2.179 5.480 1.00 0.00 C ATOM 1064 O LEU A 69 7.845 2.833 5.603 1.00 0.00 O ATOM 1065 CB LEU A 69 9.728 1.115 3.392 1.00 0.00 C ATOM 1066 CG LEU A 69 10.159 -0.035 2.476 1.00 0.00 C ATOM 1067 CD1 LEU A 69 10.857 -1.205 3.184 1.00 0.00 C ATOM 1068 CD2 LEU A 69 9.011 -0.496 1.594 1.00 0.00 C ATOM 0 H LEU A 69 6.977 1.331 3.981 1.00 0.00 H new ATOM 0 HA LEU A 69 9.324 0.051 5.211 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.174 1.819 2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.639 1.620 3.712 1.00 0.00 H new ATOM 0 HG LEU A 69 10.936 0.385 1.837 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.123 -1.967 2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.760 -0.845 3.677 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.184 -1.634 3.927 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.348 -1.313 0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.187 -0.840 2.219 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.673 0.334 0.973 1.00 0.00 H new ATOM 1080 N SER A 70 10.040 2.582 6.007 1.00 0.00 N ATOM 1081 CA SER A 70 10.242 3.833 6.725 1.00 0.00 C ATOM 1082 C SER A 70 10.733 4.930 5.780 1.00 0.00 C ATOM 1083 O SER A 70 11.723 4.747 5.069 1.00 0.00 O ATOM 1084 CB SER A 70 11.210 3.578 7.888 1.00 0.00 C ATOM 1085 OG SER A 70 10.683 2.589 8.763 1.00 0.00 O ATOM 0 H SER A 70 10.891 2.023 5.941 1.00 0.00 H new ATOM 0 HA SER A 70 9.297 4.190 7.135 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.176 3.253 7.501 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.382 4.504 8.437 1.00 0.00 H new ATOM 0 HG SER A 70 11.311 2.435 9.499 1.00 0.00 H new ATOM 1091 N GLY A 71 10.011 6.048 5.702 1.00 0.00 N ATOM 1092 CA GLY A 71 10.143 7.031 4.634 1.00 0.00 C ATOM 1093 C GLY A 71 9.196 8.198 4.883 1.00 0.00 C ATOM 1094 O GLY A 71 8.765 8.419 6.016 1.00 0.00 O ATOM 0 H GLY A 71 9.305 6.298 6.395 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.171 7.390 4.583 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.919 6.569 3.673 1.00 0.00 H new ATOM 1098 N LYS A 72 8.840 8.961 3.851 1.00 0.00 N ATOM 1099 CA LYS A 72 7.851 10.036 3.966 1.00 0.00 C ATOM 1100 C LYS A 72 6.973 10.015 2.718 1.00 0.00 C ATOM 1101 O LYS A 72 7.452 9.714 1.625 1.00 0.00 O ATOM 1102 CB LYS A 72 8.588 11.372 4.188 1.00 0.00 C ATOM 1103 CG LYS A 72 7.671 12.604 4.238 1.00 0.00 C ATOM 1104 CD LYS A 72 8.369 13.952 4.046 1.00 0.00 C ATOM 1105 CE LYS A 72 9.087 14.368 5.320 1.00 0.00 C ATOM 1106 NZ LYS A 72 9.502 15.777 5.259 1.00 0.00 N ATOM 0 H LYS A 72 9.227 8.853 2.913 1.00 0.00 H new ATOM 0 HA LYS A 72 7.192 9.900 4.824 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.148 11.313 5.121 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.316 11.508 3.388 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.906 12.498 3.469 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.157 12.614 5.199 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.083 13.885 3.225 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.637 14.711 3.770 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.431 14.216 6.177 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.961 13.735 5.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.989 16.034 6.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.147 15.915 4.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.664 16.381 5.138 1.00 0.00 H new ATOM 1120 N ILE A 73 5.678 10.276 2.882 1.00 0.00 N ATOM 1121 CA ILE A 73 4.707 10.377 1.797 1.00 0.00 C ATOM 1122 C ILE A 73 5.120 11.539 0.892 1.00 0.00 C ATOM 1123 O ILE A 73 5.689 12.510 1.381 1.00 0.00 O ATOM 1124 CB ILE A 73 3.288 10.588 2.375 1.00 0.00 C ATOM 1125 CG1 ILE A 73 2.891 9.606 3.504 1.00 0.00 C ATOM 1126 CG2 ILE A 73 2.218 10.525 1.266 1.00 0.00 C ATOM 1127 CD1 ILE A 73 3.337 8.160 3.300 1.00 0.00 C ATOM 0 H ILE A 73 5.264 10.427 3.802 1.00 0.00 H new ATOM 0 HA ILE A 73 4.687 9.457 1.212 1.00 0.00 H new ATOM 0 HB ILE A 73 3.328 11.582 2.820 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.310 9.969 4.442 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.806 9.622 3.612 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.231 10.677 1.703 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.412 11.304 0.529 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.254 9.550 0.781 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.009 7.555 4.146 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.897 7.769 2.383 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.424 8.121 3.226 1.00 0.00 H new ATOM 1139 N VAL A 74 4.836 11.460 -0.410 1.00 0.00 N ATOM 1140 CA VAL A 74 5.138 12.542 -1.353 1.00 0.00 C ATOM 1141 C VAL A 74 4.116 12.666 -2.483 1.00 0.00 C ATOM 1142 O VAL A 74 4.214 13.594 -3.288 1.00 0.00 O ATOM 1143 CB VAL A 74 6.542 12.323 -1.978 1.00 0.00 C ATOM 1144 CG1 VAL A 74 7.673 12.532 -0.973 1.00 0.00 C ATOM 1145 CG2 VAL A 74 6.713 10.925 -2.607 1.00 0.00 C ATOM 0 H VAL A 74 4.392 10.648 -0.840 1.00 0.00 H new ATOM 0 HA VAL A 74 5.103 13.466 -0.775 1.00 0.00 H new ATOM 0 HB VAL A 74 6.606 13.078 -2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.632 12.366 -1.464 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.634 13.551 -0.588 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.561 11.828 -0.148 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.715 10.835 -3.026 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.570 10.162 -1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.975 10.789 -3.398 1.00 0.00 H new ATOM 1155 N GLU A 75 3.144 11.760 -2.575 1.00 0.00 N ATOM 1156 CA GLU A 75 2.109 11.773 -3.597 1.00 0.00 C ATOM 1157 C GLU A 75 0.949 10.987 -2.986 1.00 0.00 C ATOM 1158 O GLU A 75 1.180 9.969 -2.324 1.00 0.00 O ATOM 1159 CB GLU A 75 2.644 11.066 -4.861 1.00 0.00 C ATOM 1160 CG GLU A 75 2.647 11.898 -6.148 1.00 0.00 C ATOM 1161 CD GLU A 75 3.128 11.034 -7.324 1.00 0.00 C ATOM 1162 OE1 GLU A 75 4.357 10.811 -7.459 1.00 0.00 O ATOM 1163 OE2 GLU A 75 2.263 10.491 -8.055 1.00 0.00 O ATOM 0 H GLU A 75 3.056 10.980 -1.924 1.00 0.00 H new ATOM 0 HA GLU A 75 1.803 12.778 -3.888 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.664 10.735 -4.664 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.046 10.171 -5.032 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.645 12.277 -6.349 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.298 12.764 -6.031 1.00 0.00 H new ATOM 1170 N VAL A 76 -0.288 11.419 -3.203 1.00 0.00 N ATOM 1171 CA VAL A 76 -1.477 10.712 -2.738 1.00 0.00 C ATOM 1172 C VAL A 76 -2.407 10.578 -3.945 1.00 0.00 C ATOM 1173 O VAL A 76 -2.393 11.433 -4.837 1.00 0.00 O ATOM 1174 CB VAL A 76 -2.103 11.441 -1.524 1.00 0.00 C ATOM 1175 CG1 VAL A 76 -1.107 11.616 -0.357 1.00 0.00 C ATOM 1176 CG2 VAL A 76 -2.594 12.828 -1.925 1.00 0.00 C ATOM 0 H VAL A 76 -0.496 12.278 -3.712 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.250 9.713 -2.365 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.930 10.813 -1.193 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.599 12.133 0.467 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.766 10.637 -0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.252 12.202 -0.694 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.031 13.324 -1.058 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.756 13.417 -2.296 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.347 12.735 -2.707 1.00 0.00 H new ATOM 1186 N ASN A 77 -3.180 9.499 -4.018 1.00 0.00 N ATOM 1187 CA ASN A 77 -4.067 9.252 -5.143 1.00 0.00 C ATOM 1188 C ASN A 77 -5.395 9.918 -4.808 1.00 0.00 C ATOM 1189 O ASN A 77 -6.312 9.249 -4.333 1.00 0.00 O ATOM 1190 CB ASN A 77 -4.189 7.737 -5.374 1.00 0.00 C ATOM 1191 CG ASN A 77 -4.656 7.318 -6.765 1.00 0.00 C ATOM 1192 OD1 ASN A 77 -4.667 8.079 -7.730 1.00 0.00 O ATOM 1193 ND2 ASN A 77 -4.994 6.048 -6.886 1.00 0.00 N ATOM 0 H ASN A 77 -3.207 8.775 -3.300 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.690 9.670 -6.076 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -3.219 7.279 -5.183 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.884 7.330 -4.639 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.272 5.679 -7.795 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -4.977 5.436 -6.070 1.00 0.00 H new ATOM 1200 N GLU A 78 -5.517 11.233 -5.024 1.00 0.00 N ATOM 1201 CA GLU A 78 -6.737 12.009 -4.735 1.00 0.00 C ATOM 1202 C GLU A 78 -7.983 11.460 -5.440 1.00 0.00 C ATOM 1203 O GLU A 78 -9.110 11.756 -5.051 1.00 0.00 O ATOM 1204 CB GLU A 78 -6.539 13.474 -5.155 1.00 0.00 C ATOM 1205 CG GLU A 78 -6.133 14.388 -3.998 1.00 0.00 C ATOM 1206 CD GLU A 78 -5.942 15.818 -4.509 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -6.920 16.600 -4.543 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -4.806 16.126 -4.937 1.00 0.00 O ATOM 0 H GLU A 78 -4.762 11.800 -5.410 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.903 11.929 -3.661 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.775 13.522 -5.931 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.464 13.846 -5.595 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.898 14.369 -3.222 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.210 14.028 -3.545 1.00 0.00 H new ATOM 1215 N LYS A 79 -7.763 10.607 -6.434 1.00 0.00 N ATOM 1216 CA LYS A 79 -8.740 9.756 -7.086 1.00 0.00 C ATOM 1217 C LYS A 79 -9.522 8.900 -6.102 1.00 0.00 C ATOM 1218 O LYS A 79 -10.704 8.698 -6.318 1.00 0.00 O ATOM 1219 CB LYS A 79 -7.982 8.851 -8.059 1.00 0.00 C ATOM 1220 CG LYS A 79 -7.771 9.479 -9.430 1.00 0.00 C ATOM 1221 CD LYS A 79 -9.060 9.381 -10.263 1.00 0.00 C ATOM 1222 CE LYS A 79 -8.742 8.786 -11.633 1.00 0.00 C ATOM 1223 NZ LYS A 79 -9.933 8.689 -12.495 1.00 0.00 N ATOM 0 H LYS A 79 -6.831 10.487 -6.830 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.467 10.387 -7.597 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.012 8.600 -7.629 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.530 7.916 -8.176 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.480 10.523 -9.319 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.955 8.974 -9.948 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.792 8.760 -9.747 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.506 10.369 -10.379 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -7.989 9.400 -12.127 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -8.309 7.794 -11.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -9.836 7.872 -13.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.780 8.569 -11.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.025 9.558 -13.059 1.00 0.00 H new ATOM 1237 N LEU A 80 -8.909 8.345 -5.055 1.00 0.00 N ATOM 1238 CA LEU A 80 -9.575 7.379 -4.182 1.00 0.00 C ATOM 1239 C LEU A 80 -10.622 8.061 -3.292 1.00 0.00 C ATOM 1240 O LEU A 80 -11.431 7.381 -2.674 1.00 0.00 O ATOM 1241 CB LEU A 80 -8.533 6.625 -3.336 1.00 0.00 C ATOM 1242 CG LEU A 80 -7.678 5.525 -4.015 1.00 0.00 C ATOM 1243 CD1 LEU A 80 -8.131 4.149 -3.547 1.00 0.00 C ATOM 1244 CD2 LEU A 80 -7.746 5.480 -5.549 1.00 0.00 C ATOM 0 H LEU A 80 -7.946 8.550 -4.791 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.102 6.658 -4.806 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.849 7.364 -2.918 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -9.057 6.166 -2.498 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.658 5.780 -3.726 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.524 3.383 -4.030 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.015 4.076 -2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.178 4.002 -3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.111 4.674 -5.918 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.775 5.304 -5.863 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.400 6.430 -5.957 1.00 0.00 H new ATOM 1256 N ASP A 81 -10.639 9.391 -3.243 1.00 0.00 N ATOM 1257 CA ASP A 81 -11.669 10.200 -2.596 1.00 0.00 C ATOM 1258 C ASP A 81 -12.999 10.119 -3.360 1.00 0.00 C ATOM 1259 O ASP A 81 -14.068 10.072 -2.752 1.00 0.00 O ATOM 1260 CB ASP A 81 -11.153 11.639 -2.600 1.00 0.00 C ATOM 1261 CG ASP A 81 -12.006 12.671 -1.874 1.00 0.00 C ATOM 1262 OD1 ASP A 81 -12.869 12.331 -1.036 1.00 0.00 O ATOM 1263 OD2 ASP A 81 -11.821 13.873 -2.189 1.00 0.00 O ATOM 0 H ASP A 81 -9.906 9.957 -3.670 1.00 0.00 H new ATOM 0 HA ASP A 81 -11.859 9.841 -1.584 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -10.158 11.645 -2.155 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -11.041 11.958 -3.636 1.00 0.00 H new ATOM 1268 N THR A 82 -12.934 10.094 -4.695 1.00 0.00 N ATOM 1269 CA THR A 82 -14.081 10.196 -5.601 1.00 0.00 C ATOM 1270 C THR A 82 -14.369 8.888 -6.346 1.00 0.00 C ATOM 1271 O THR A 82 -15.515 8.609 -6.711 1.00 0.00 O ATOM 1272 CB THR A 82 -13.815 11.347 -6.587 1.00 0.00 C ATOM 1273 OG1 THR A 82 -12.505 11.298 -7.127 1.00 0.00 O ATOM 1274 CG2 THR A 82 -13.962 12.693 -5.892 1.00 0.00 C ATOM 0 H THR A 82 -12.048 9.999 -5.192 1.00 0.00 H new ATOM 0 HA THR A 82 -14.974 10.400 -5.010 1.00 0.00 H new ATOM 0 HB THR A 82 -14.546 11.233 -7.387 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.379 12.045 -7.749 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.770 13.494 -6.606 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.974 12.791 -5.500 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.247 12.759 -5.072 1.00 0.00 H new ATOM 1282 N GLU A 83 -13.340 8.063 -6.523 1.00 0.00 N ATOM 1283 CA GLU A 83 -13.340 6.726 -7.090 1.00 0.00 C ATOM 1284 C GLU A 83 -12.536 5.772 -6.165 1.00 0.00 C ATOM 1285 O GLU A 83 -11.529 5.192 -6.585 1.00 0.00 O ATOM 1286 CB GLU A 83 -12.775 6.853 -8.519 1.00 0.00 C ATOM 1287 CG GLU A 83 -13.802 7.402 -9.532 1.00 0.00 C ATOM 1288 CD GLU A 83 -13.330 8.564 -10.417 1.00 0.00 C ATOM 1289 OE1 GLU A 83 -12.152 8.637 -10.836 1.00 0.00 O ATOM 1290 OE2 GLU A 83 -14.190 9.394 -10.803 1.00 0.00 O ATOM 0 H GLU A 83 -12.400 8.344 -6.246 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.336 6.288 -7.157 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.905 7.509 -8.502 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.430 5.875 -8.855 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.114 6.583 -10.180 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -14.685 7.728 -8.982 1.00 0.00 H new ATOM 1297 N PRO A 84 -12.963 5.568 -4.897 1.00 0.00 N ATOM 1298 CA PRO A 84 -12.371 4.591 -3.980 1.00 0.00 C ATOM 1299 C PRO A 84 -12.505 3.163 -4.518 1.00 0.00 C ATOM 1300 O PRO A 84 -11.672 2.300 -4.246 1.00 0.00 O ATOM 1301 CB PRO A 84 -13.119 4.721 -2.638 1.00 0.00 C ATOM 1302 CG PRO A 84 -14.222 5.757 -2.845 1.00 0.00 C ATOM 1303 CD PRO A 84 -14.125 6.194 -4.300 1.00 0.00 C ATOM 0 HA PRO A 84 -11.305 4.788 -3.863 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.541 3.762 -2.336 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -12.439 5.034 -1.845 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.202 5.331 -2.631 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -14.090 6.606 -2.174 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.027 5.909 -4.841 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.044 7.279 -4.364 1.00 0.00 H new ATOM 1311 N GLU A 85 -13.565 2.913 -5.284 1.00 0.00 N ATOM 1312 CA GLU A 85 -13.953 1.628 -5.845 1.00 0.00 C ATOM 1313 C GLU A 85 -12.908 1.098 -6.841 1.00 0.00 C ATOM 1314 O GLU A 85 -12.926 -0.098 -7.145 1.00 0.00 O ATOM 1315 CB GLU A 85 -15.347 1.844 -6.458 1.00 0.00 C ATOM 1316 CG GLU A 85 -16.029 0.666 -7.171 1.00 0.00 C ATOM 1317 CD GLU A 85 -16.569 0.994 -8.570 1.00 0.00 C ATOM 1318 OE1 GLU A 85 -15.954 1.783 -9.326 1.00 0.00 O ATOM 1319 OE2 GLU A 85 -17.631 0.422 -8.921 1.00 0.00 O ATOM 0 H GLU A 85 -14.216 3.654 -5.544 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.999 0.847 -5.086 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -16.011 2.177 -5.660 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.271 2.664 -7.172 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.316 -0.154 -7.254 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.853 0.311 -6.552 1.00 0.00 H new ATOM 1326 N LEU A 86 -11.918 1.898 -7.275 1.00 0.00 N ATOM 1327 CA LEU A 86 -10.793 1.320 -8.014 1.00 0.00 C ATOM 1328 C LEU A 86 -9.958 0.352 -7.173 1.00 0.00 C ATOM 1329 O LEU A 86 -9.235 -0.456 -7.750 1.00 0.00 O ATOM 1330 CB LEU A 86 -9.883 2.367 -8.678 1.00 0.00 C ATOM 1331 CG LEU A 86 -10.280 2.740 -10.125 1.00 0.00 C ATOM 1332 CD1 LEU A 86 -9.115 3.439 -10.812 1.00 0.00 C ATOM 1333 CD2 LEU A 86 -10.522 1.525 -11.027 1.00 0.00 C ATOM 0 H LEU A 86 -11.876 2.907 -7.132 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.268 0.751 -8.814 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.888 3.271 -8.069 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.860 1.990 -8.682 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.183 3.341 -10.016 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.398 3.701 -11.832 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.859 4.345 -10.263 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.253 2.773 -10.834 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.797 1.863 -12.026 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.613 0.927 -11.083 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.329 0.920 -10.614 1.00 0.00 H new ATOM 1345 N ILE A 87 -10.090 0.353 -5.845 1.00 0.00 N ATOM 1346 CA ILE A 87 -9.541 -0.700 -5.000 1.00 0.00 C ATOM 1347 C ILE A 87 -10.125 -2.061 -5.408 1.00 0.00 C ATOM 1348 O ILE A 87 -9.462 -3.082 -5.288 1.00 0.00 O ATOM 1349 CB ILE A 87 -9.797 -0.373 -3.509 1.00 0.00 C ATOM 1350 CG1 ILE A 87 -8.940 0.833 -3.076 1.00 0.00 C ATOM 1351 CG2 ILE A 87 -9.454 -1.579 -2.629 1.00 0.00 C ATOM 1352 CD1 ILE A 87 -9.274 1.376 -1.679 1.00 0.00 C ATOM 0 H ILE A 87 -10.580 1.084 -5.329 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.461 -0.756 -5.138 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.853 -0.131 -3.388 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.889 0.544 -3.099 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -9.067 1.634 -3.804 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.640 -1.331 -1.584 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -10.075 -2.428 -2.917 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.403 -1.837 -2.759 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.626 2.223 -1.453 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.315 1.699 -1.653 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -9.119 0.592 -0.937 1.00 0.00 H new ATOM 1364 N ASN A 88 -11.369 -2.133 -5.881 1.00 0.00 N ATOM 1365 CA ASN A 88 -11.926 -3.393 -6.341 1.00 0.00 C ATOM 1366 C ASN A 88 -11.305 -3.751 -7.681 1.00 0.00 C ATOM 1367 O ASN A 88 -10.848 -4.871 -7.893 1.00 0.00 O ATOM 1368 CB ASN A 88 -13.440 -3.285 -6.551 1.00 0.00 C ATOM 1369 CG ASN A 88 -14.281 -2.926 -5.327 1.00 0.00 C ATOM 1370 OD1 ASN A 88 -15.432 -2.511 -5.453 1.00 0.00 O ATOM 1371 ND2 ASN A 88 -13.746 -3.077 -4.127 1.00 0.00 N ATOM 0 H ASN A 88 -12.002 -1.336 -5.953 1.00 0.00 H new ATOM 0 HA ASN A 88 -11.715 -4.149 -5.585 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.624 -2.536 -7.321 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.798 -4.238 -6.941 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -14.289 -2.849 -3.294 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -12.791 -3.422 -4.034 1.00 0.00 H new ATOM 1378 N LYS A 89 -11.423 -2.810 -8.617 1.00 0.00 N ATOM 1379 CA LYS A 89 -11.136 -2.987 -10.024 1.00 0.00 C ATOM 1380 C LYS A 89 -9.668 -3.296 -10.237 1.00 0.00 C ATOM 1381 O LYS A 89 -9.341 -4.300 -10.872 1.00 0.00 O ATOM 1382 CB LYS A 89 -11.498 -1.696 -10.726 1.00 0.00 C ATOM 1383 CG LYS A 89 -12.997 -1.422 -10.890 1.00 0.00 C ATOM 1384 CD LYS A 89 -13.975 -2.595 -11.040 1.00 0.00 C ATOM 1385 CE LYS A 89 -13.703 -3.491 -12.260 1.00 0.00 C ATOM 1386 NZ LYS A 89 -14.818 -4.427 -12.515 1.00 0.00 N ATOM 0 H LYS A 89 -11.736 -1.865 -8.396 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.711 -3.823 -10.423 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -11.055 -0.868 -10.173 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -11.039 -1.701 -11.715 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.318 -0.840 -10.026 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.117 -0.785 -11.766 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -13.933 -3.206 -10.138 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -14.989 -2.201 -11.111 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.544 -2.868 -13.140 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.785 -4.055 -12.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.596 -5.013 -13.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -14.954 -5.039 -11.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -15.689 -3.888 -12.694 1.00 0.00 H new ATOM 1400 N ASP A 90 -8.813 -2.396 -9.745 1.00 0.00 N ATOM 1401 CA ASP A 90 -7.409 -2.352 -10.103 1.00 0.00 C ATOM 1402 C ASP A 90 -6.546 -2.072 -8.861 1.00 0.00 C ATOM 1403 O ASP A 90 -5.774 -1.103 -8.857 1.00 0.00 O ATOM 1404 CB ASP A 90 -7.168 -1.272 -11.190 1.00 0.00 C ATOM 1405 CG ASP A 90 -7.984 -1.381 -12.484 1.00 0.00 C ATOM 1406 OD1 ASP A 90 -8.205 -2.513 -12.974 1.00 0.00 O ATOM 1407 OD2 ASP A 90 -8.296 -0.318 -13.068 1.00 0.00 O ATOM 0 H ASP A 90 -9.088 -1.673 -9.080 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.121 -3.322 -10.508 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.368 -0.297 -10.746 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.111 -1.291 -11.455 1.00 0.00 H new ATOM 1412 N PRO A 91 -6.627 -2.901 -7.797 1.00 0.00 N ATOM 1413 CA PRO A 91 -5.952 -2.638 -6.523 1.00 0.00 C ATOM 1414 C PRO A 91 -4.433 -2.607 -6.673 1.00 0.00 C ATOM 1415 O PRO A 91 -3.736 -2.150 -5.773 1.00 0.00 O ATOM 1416 CB PRO A 91 -6.379 -3.750 -5.550 1.00 0.00 C ATOM 1417 CG PRO A 91 -6.967 -4.843 -6.438 1.00 0.00 C ATOM 1418 CD PRO A 91 -7.365 -4.153 -7.740 1.00 0.00 C ATOM 0 HA PRO A 91 -6.238 -1.655 -6.150 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -5.530 -4.121 -4.977 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -7.114 -3.386 -4.832 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -6.238 -5.632 -6.621 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -7.830 -5.310 -5.963 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -7.127 -4.781 -8.598 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.439 -3.970 -7.767 1.00 0.00 H new ATOM 1426 N GLU A 92 -3.915 -3.082 -7.803 1.00 0.00 N ATOM 1427 CA GLU A 92 -2.536 -3.462 -8.054 1.00 0.00 C ATOM 1428 C GLU A 92 -1.858 -2.458 -8.997 1.00 0.00 C ATOM 1429 O GLU A 92 -0.678 -2.620 -9.333 1.00 0.00 O ATOM 1430 CB GLU A 92 -2.497 -4.868 -8.666 1.00 0.00 C ATOM 1431 CG GLU A 92 -3.586 -5.850 -8.180 1.00 0.00 C ATOM 1432 CD GLU A 92 -3.874 -6.988 -9.153 1.00 0.00 C ATOM 1433 OE1 GLU A 92 -2.923 -7.499 -9.781 1.00 0.00 O ATOM 1434 OE2 GLU A 92 -5.050 -7.435 -9.199 1.00 0.00 O ATOM 0 H GLU A 92 -4.498 -3.220 -8.628 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.993 -3.461 -7.109 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.579 -4.773 -9.749 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.521 -5.307 -8.457 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.279 -6.273 -7.223 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.508 -5.296 -8.002 1.00 0.00 H new ATOM 1441 N GLY A 93 -2.620 -1.447 -9.431 1.00 0.00 N ATOM 1442 CA GLY A 93 -2.237 -0.456 -10.409 1.00 0.00 C ATOM 1443 C GLY A 93 -2.862 0.891 -10.083 1.00 0.00 C ATOM 1444 O GLY A 93 -2.171 1.766 -9.568 1.00 0.00 O ATOM 0 H GLY A 93 -3.568 -1.302 -9.083 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.151 -0.362 -10.433 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.551 -0.777 -11.402 1.00 0.00 H new ATOM 1448 N GLU A 94 -4.130 1.116 -10.438 1.00 0.00 N ATOM 1449 CA GLU A 94 -4.773 2.429 -10.348 1.00 0.00 C ATOM 1450 C GLU A 94 -5.458 2.673 -9.005 1.00 0.00 C ATOM 1451 O GLU A 94 -5.512 3.815 -8.562 1.00 0.00 O ATOM 1452 CB GLU A 94 -5.725 2.625 -11.536 1.00 0.00 C ATOM 1453 CG GLU A 94 -4.878 2.967 -12.758 1.00 0.00 C ATOM 1454 CD GLU A 94 -5.652 3.202 -14.051 1.00 0.00 C ATOM 1455 OE1 GLU A 94 -6.576 4.039 -14.079 1.00 0.00 O ATOM 1456 OE2 GLU A 94 -5.286 2.554 -15.065 1.00 0.00 O ATOM 0 H GLU A 94 -4.744 0.386 -10.799 1.00 0.00 H new ATOM 0 HA GLU A 94 -3.990 3.186 -10.403 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.305 1.720 -11.714 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.437 3.424 -11.328 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.296 3.862 -12.536 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -4.167 2.158 -12.923 1.00 0.00 H new ATOM 1463 N GLY A 95 -5.859 1.625 -8.287 1.00 0.00 N ATOM 1464 CA GLY A 95 -6.310 1.674 -6.899 1.00 0.00 C ATOM 1465 C GLY A 95 -5.141 1.815 -5.921 1.00 0.00 C ATOM 1466 O GLY A 95 -5.196 1.264 -4.821 1.00 0.00 O ATOM 0 H GLY A 95 -5.879 0.681 -8.673 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.994 2.513 -6.769 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.869 0.768 -6.667 1.00 0.00 H new ATOM 1470 N TRP A 96 -4.057 2.495 -6.319 1.00 0.00 N ATOM 1471 CA TRP A 96 -2.953 2.799 -5.422 1.00 0.00 C ATOM 1472 C TRP A 96 -3.424 3.801 -4.364 1.00 0.00 C ATOM 1473 O TRP A 96 -4.382 4.539 -4.598 1.00 0.00 O ATOM 1474 CB TRP A 96 -1.725 3.273 -6.216 1.00 0.00 C ATOM 1475 CG TRP A 96 -1.777 4.598 -6.949 1.00 0.00 C ATOM 1476 CD1 TRP A 96 -2.278 4.734 -8.198 1.00 0.00 C ATOM 1477 CD2 TRP A 96 -1.327 5.954 -6.575 1.00 0.00 C ATOM 1478 NE1 TRP A 96 -2.173 6.036 -8.630 1.00 0.00 N ATOM 1479 CE2 TRP A 96 -1.592 6.831 -7.673 1.00 0.00 C ATOM 1480 CE3 TRP A 96 -0.796 6.579 -5.417 1.00 0.00 C ATOM 1481 CZ2 TRP A 96 -1.333 8.205 -7.627 1.00 0.00 C ATOM 1482 CZ3 TRP A 96 -0.533 7.968 -5.359 1.00 0.00 C ATOM 1483 CH2 TRP A 96 -0.778 8.776 -6.477 1.00 0.00 C ATOM 0 H TRP A 96 -3.929 2.845 -7.269 1.00 0.00 H new ATOM 0 HA TRP A 96 -2.634 1.900 -4.894 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -0.885 3.316 -5.523 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -1.494 2.502 -6.951 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -2.703 3.929 -8.778 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -2.486 6.368 -9.542 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -0.585 5.973 -4.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -1.562 8.826 -8.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -0.143 8.406 -4.452 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -0.541 9.829 -6.451 1.00 0.00 H new ATOM 1494 N LEU A 97 -2.769 3.818 -3.201 1.00 0.00 N ATOM 1495 CA LEU A 97 -3.197 4.653 -2.080 1.00 0.00 C ATOM 1496 C LEU A 97 -2.345 5.925 -2.092 1.00 0.00 C ATOM 1497 O LEU A 97 -2.796 6.998 -2.486 1.00 0.00 O ATOM 1498 CB LEU A 97 -3.047 3.915 -0.736 1.00 0.00 C ATOM 1499 CG LEU A 97 -3.659 2.506 -0.592 1.00 0.00 C ATOM 1500 CD1 LEU A 97 -2.570 1.616 0.026 1.00 0.00 C ATOM 1501 CD2 LEU A 97 -4.875 2.430 0.340 1.00 0.00 C ATOM 0 H LEU A 97 -1.937 3.260 -3.012 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.254 4.898 -2.189 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.982 3.836 -0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.484 4.546 0.038 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.997 2.199 -1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.954 0.603 0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.700 1.597 -0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.282 2.016 0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.239 1.403 0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.587 2.753 1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.664 3.080 -0.038 1.00 0.00 H new ATOM 1513 N PHE A 98 -1.072 5.798 -1.706 1.00 0.00 N ATOM 1514 CA PHE A 98 -0.123 6.886 -1.582 1.00 0.00 C ATOM 1515 C PHE A 98 1.247 6.379 -2.011 1.00 0.00 C ATOM 1516 O PHE A 98 1.580 5.206 -1.801 1.00 0.00 O ATOM 1517 CB PHE A 98 -0.096 7.389 -0.128 1.00 0.00 C ATOM 1518 CG PHE A 98 0.458 6.402 0.894 1.00 0.00 C ATOM 1519 CD1 PHE A 98 1.850 6.231 1.025 1.00 0.00 C ATOM 1520 CD2 PHE A 98 -0.398 5.656 1.726 1.00 0.00 C ATOM 1521 CE1 PHE A 98 2.384 5.339 1.969 1.00 0.00 C ATOM 1522 CE2 PHE A 98 0.142 4.771 2.683 1.00 0.00 C ATOM 1523 CZ PHE A 98 1.528 4.608 2.801 1.00 0.00 C ATOM 0 H PHE A 98 -0.667 4.894 -1.464 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.413 7.721 -2.219 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.500 8.301 -0.088 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.111 7.658 0.165 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.517 6.795 0.390 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -1.469 5.761 1.632 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.454 5.217 2.053 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.519 4.214 3.330 1.00 0.00 H new ATOM 0 HZ PHE A 98 1.934 3.922 3.530 1.00 0.00 H new ATOM 1533 N LYS A 99 2.058 7.279 -2.554 1.00 0.00 N ATOM 1534 CA LYS A 99 3.465 7.022 -2.802 1.00 0.00 C ATOM 1535 C LYS A 99 4.264 7.643 -1.680 1.00 0.00 C ATOM 1536 O LYS A 99 3.881 8.678 -1.124 1.00 0.00 O ATOM 1537 CB LYS A 99 3.907 7.650 -4.116 1.00 0.00 C ATOM 1538 CG LYS A 99 3.416 6.889 -5.348 1.00 0.00 C ATOM 1539 CD LYS A 99 3.386 7.835 -6.546 1.00 0.00 C ATOM 1540 CE LYS A 99 3.147 7.158 -7.890 1.00 0.00 C ATOM 1541 NZ LYS A 99 1.885 6.397 -7.930 1.00 0.00 N ATOM 0 H LYS A 99 1.753 8.211 -2.835 1.00 0.00 H new ATOM 0 HA LYS A 99 3.626 5.945 -2.856 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.540 8.675 -4.162 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.996 7.699 -4.139 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.073 6.044 -5.554 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.421 6.482 -5.166 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.604 8.577 -6.385 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.333 8.373 -6.590 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.135 7.914 -8.675 1.00 0.00 H new ATOM 0 HE3 LYS A 99 3.978 6.486 -8.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 1.487 6.435 -8.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.068 5.407 -7.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.208 6.812 -7.258 1.00 0.00 H new ATOM 1555 N MET A 100 5.408 7.044 -1.397 1.00 0.00 N ATOM 1556 CA MET A 100 6.330 7.513 -0.385 1.00 0.00 C ATOM 1557 C MET A 100 7.741 7.430 -0.941 1.00 0.00 C ATOM 1558 O MET A 100 8.054 6.517 -1.707 1.00 0.00 O ATOM 1559 CB MET A 100 6.158 6.710 0.911 1.00 0.00 C ATOM 1560 CG MET A 100 5.968 5.198 0.693 1.00 0.00 C ATOM 1561 SD MET A 100 6.072 4.189 2.196 1.00 0.00 S ATOM 1562 CE MET A 100 7.686 4.722 2.817 1.00 0.00 C ATOM 0 H MET A 100 5.725 6.201 -1.876 1.00 0.00 H new ATOM 0 HA MET A 100 6.123 8.552 -0.131 1.00 0.00 H new ATOM 0 HB2 MET A 100 7.032 6.868 1.542 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.297 7.099 1.455 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.996 5.032 0.229 1.00 0.00 H new ATOM 0 HG3 MET A 100 6.722 4.850 -0.013 1.00 0.00 H new ATOM 0 HE1 MET A 100 8.181 3.885 3.308 1.00 0.00 H new ATOM 0 HE2 MET A 100 8.299 5.069 1.985 1.00 0.00 H new ATOM 0 HE3 MET A 100 7.551 5.534 3.532 1.00 0.00 H new ATOM 1572 N GLU A 101 8.558 8.417 -0.588 1.00 0.00 N ATOM 1573 CA GLU A 101 9.989 8.432 -0.809 1.00 0.00 C ATOM 1574 C GLU A 101 10.610 7.420 0.148 1.00 0.00 C ATOM 1575 O GLU A 101 10.202 7.344 1.314 1.00 0.00 O ATOM 1576 CB GLU A 101 10.520 9.848 -0.549 1.00 0.00 C ATOM 1577 CG GLU A 101 12.009 10.011 -0.885 1.00 0.00 C ATOM 1578 CD GLU A 101 12.455 11.466 -0.774 1.00 0.00 C ATOM 1579 OE1 GLU A 101 12.189 12.241 -1.731 1.00 0.00 O ATOM 1580 OE2 GLU A 101 12.998 11.838 0.294 1.00 0.00 O ATOM 0 H GLU A 101 8.222 9.260 -0.122 1.00 0.00 H new ATOM 0 HA GLU A 101 10.243 8.163 -1.834 1.00 0.00 H new ATOM 0 HB2 GLU A 101 9.942 10.559 -1.139 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.362 10.101 0.499 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.604 9.395 -0.211 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.196 9.649 -1.896 1.00 0.00 H new ATOM 1587 N ILE A 102 11.579 6.651 -0.344 1.00 0.00 N ATOM 1588 CA ILE A 102 12.218 5.594 0.407 1.00 0.00 C ATOM 1589 C ILE A 102 13.519 6.092 1.043 1.00 0.00 C ATOM 1590 O ILE A 102 14.492 6.367 0.340 1.00 0.00 O ATOM 1591 CB ILE A 102 12.402 4.328 -0.445 1.00 0.00 C ATOM 1592 CG1 ILE A 102 13.055 4.580 -1.812 1.00 0.00 C ATOM 1593 CG2 ILE A 102 11.053 3.607 -0.649 1.00 0.00 C ATOM 1594 CD1 ILE A 102 13.868 3.377 -2.266 1.00 0.00 C ATOM 0 H ILE A 102 11.942 6.753 -1.292 1.00 0.00 H new ATOM 0 HA ILE A 102 11.561 5.304 1.227 1.00 0.00 H new ATOM 0 HB ILE A 102 13.089 3.699 0.121 1.00 0.00 H new ATOM 0 HG12 ILE A 102 12.284 4.800 -2.551 1.00 0.00 H new ATOM 0 HG13 ILE A 102 13.700 5.457 -1.753 1.00 0.00 H new ATOM 0 HG21 ILE A 102 11.206 2.714 -1.255 1.00 0.00 H new ATOM 0 HG22 ILE A 102 10.642 3.323 0.320 1.00 0.00 H new ATOM 0 HG23 ILE A 102 10.357 4.275 -1.156 1.00 0.00 H new ATOM 0 HD11 ILE A 102 14.317 3.587 -3.237 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.654 3.174 -1.539 1.00 0.00 H new ATOM 0 HD13 ILE A 102 13.216 2.507 -2.348 1.00 0.00 H new ATOM 1606 N SER A 103 13.554 6.195 2.373 1.00 0.00 N ATOM 1607 CA SER A 103 14.796 6.462 3.090 1.00 0.00 C ATOM 1608 C SER A 103 15.741 5.249 3.044 1.00 0.00 C ATOM 1609 O SER A 103 16.954 5.430 2.901 1.00 0.00 O ATOM 1610 CB SER A 103 14.477 6.848 4.538 1.00 0.00 C ATOM 1611 OG SER A 103 13.593 7.960 4.578 1.00 0.00 O ATOM 0 H SER A 103 12.735 6.097 2.973 1.00 0.00 H new ATOM 0 HA SER A 103 15.309 7.291 2.602 1.00 0.00 H new ATOM 0 HB2 SER A 103 14.027 6.000 5.055 1.00 0.00 H new ATOM 0 HB3 SER A 103 15.399 7.091 5.067 1.00 0.00 H new ATOM 0 HG SER A 103 13.400 8.191 5.511 1.00 0.00 H new ATOM 1617 N ASP A 104 15.199 4.025 3.136 1.00 0.00 N ATOM 1618 CA ASP A 104 15.960 2.809 3.428 1.00 0.00 C ATOM 1619 C ASP A 104 15.671 1.773 2.353 1.00 0.00 C ATOM 1620 O ASP A 104 14.848 0.872 2.534 1.00 0.00 O ATOM 1621 CB ASP A 104 15.624 2.250 4.825 1.00 0.00 C ATOM 1622 CG ASP A 104 16.510 2.822 5.922 1.00 0.00 C ATOM 1623 OD1 ASP A 104 17.745 2.662 5.788 1.00 0.00 O ATOM 1624 OD2 ASP A 104 15.974 3.368 6.912 1.00 0.00 O ATOM 0 H ASP A 104 14.202 3.854 3.007 1.00 0.00 H new ATOM 0 HA ASP A 104 17.022 3.053 3.428 1.00 0.00 H new ATOM 0 HB2 ASP A 104 14.581 2.468 5.057 1.00 0.00 H new ATOM 0 HB3 ASP A 104 15.727 1.165 4.811 1.00 0.00 H new ATOM 1629 N GLU A 105 16.332 1.876 1.202 1.00 0.00 N ATOM 1630 CA GLU A 105 16.191 0.870 0.147 1.00 0.00 C ATOM 1631 C GLU A 105 16.792 -0.491 0.569 1.00 0.00 C ATOM 1632 O GLU A 105 16.605 -1.495 -0.116 1.00 0.00 O ATOM 1633 CB GLU A 105 16.725 1.440 -1.183 1.00 0.00 C ATOM 1634 CG GLU A 105 17.760 0.612 -1.943 1.00 0.00 C ATOM 1635 CD GLU A 105 18.348 1.395 -3.116 1.00 0.00 C ATOM 1636 OE1 GLU A 105 17.590 1.904 -3.977 1.00 0.00 O ATOM 1637 OE2 GLU A 105 19.578 1.606 -3.153 1.00 0.00 O ATOM 0 H GLU A 105 16.968 2.641 0.975 1.00 0.00 H new ATOM 0 HA GLU A 105 15.137 0.646 -0.019 1.00 0.00 H new ATOM 0 HB2 GLU A 105 15.874 1.603 -1.844 1.00 0.00 H new ATOM 0 HB3 GLU A 105 17.162 2.418 -0.978 1.00 0.00 H new ATOM 0 HG2 GLU A 105 18.560 0.315 -1.265 1.00 0.00 H new ATOM 0 HG3 GLU A 105 17.297 -0.304 -2.310 1.00 0.00 H new ATOM 1644 N GLY A 106 17.474 -0.563 1.716 1.00 0.00 N ATOM 1645 CA GLY A 106 18.043 -1.810 2.221 1.00 0.00 C ATOM 1646 C GLY A 106 17.018 -2.616 3.004 1.00 0.00 C ATOM 1647 O GLY A 106 17.042 -3.844 2.959 1.00 0.00 O ATOM 0 H GLY A 106 17.645 0.242 2.318 1.00 0.00 H new ATOM 0 HA2 GLY A 106 18.415 -2.405 1.387 1.00 0.00 H new ATOM 0 HA3 GLY A 106 18.898 -1.588 2.860 1.00 0.00 H new ATOM 1651 N GLU A 107 16.084 -1.937 3.676 1.00 0.00 N ATOM 1652 CA GLU A 107 14.947 -2.554 4.348 1.00 0.00 C ATOM 1653 C GLU A 107 13.973 -3.200 3.357 1.00 0.00 C ATOM 1654 O GLU A 107 13.093 -3.944 3.786 1.00 0.00 O ATOM 1655 CB GLU A 107 14.229 -1.498 5.202 1.00 0.00 C ATOM 1656 CG GLU A 107 14.939 -1.218 6.535 1.00 0.00 C ATOM 1657 CD GLU A 107 14.797 -2.385 7.519 1.00 0.00 C ATOM 1658 OE1 GLU A 107 13.648 -2.743 7.874 1.00 0.00 O ATOM 1659 OE2 GLU A 107 15.850 -2.933 7.926 1.00 0.00 O ATOM 0 H GLU A 107 16.102 -0.921 3.767 1.00 0.00 H new ATOM 0 HA GLU A 107 15.322 -3.353 4.988 1.00 0.00 H new ATOM 0 HB2 GLU A 107 14.154 -0.570 4.635 1.00 0.00 H new ATOM 0 HB3 GLU A 107 13.211 -1.832 5.402 1.00 0.00 H new ATOM 0 HG2 GLU A 107 15.996 -1.027 6.349 1.00 0.00 H new ATOM 0 HG3 GLU A 107 14.526 -0.314 6.983 1.00 0.00 H new ATOM 1666 N LEU A 108 14.139 -2.989 2.044 1.00 0.00 N ATOM 1667 CA LEU A 108 13.390 -3.742 1.048 1.00 0.00 C ATOM 1668 C LEU A 108 13.740 -5.229 1.110 1.00 0.00 C ATOM 1669 O LEU A 108 12.918 -6.052 0.719 1.00 0.00 O ATOM 1670 CB LEU A 108 13.700 -3.262 -0.373 1.00 0.00 C ATOM 1671 CG LEU A 108 13.409 -1.811 -0.761 1.00 0.00 C ATOM 1672 CD1 LEU A 108 13.411 -1.679 -2.282 1.00 0.00 C ATOM 1673 CD2 LEU A 108 12.116 -1.242 -0.203 1.00 0.00 C ATOM 0 H LEU A 108 14.786 -2.303 1.655 1.00 0.00 H new ATOM 0 HA LEU A 108 12.336 -3.584 1.275 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.760 -3.442 -0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 108 13.146 -3.901 -1.061 1.00 0.00 H new ATOM 0 HG LEU A 108 14.206 -1.222 -0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 108 13.204 -0.645 -2.558 1.00 0.00 H new ATOM 0 HD12 LEU A 108 14.387 -1.970 -2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.644 -2.328 -2.705 1.00 0.00 H new ATOM 0 HD21 LEU A 108 12.000 -0.210 -0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 108 11.274 -1.834 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 108 12.145 -1.273 0.886 1.00 0.00 H new ATOM 1685 N GLU A 109 14.945 -5.614 1.541 1.00 0.00 N ATOM 1686 CA GLU A 109 15.290 -7.032 1.661 1.00 0.00 C ATOM 1687 C GLU A 109 14.625 -7.666 2.882 1.00 0.00 C ATOM 1688 O GLU A 109 14.547 -8.886 2.974 1.00 0.00 O ATOM 1689 CB GLU A 109 16.806 -7.237 1.676 1.00 0.00 C ATOM 1690 CG GLU A 109 17.446 -6.674 0.396 1.00 0.00 C ATOM 1691 CD GLU A 109 18.727 -7.398 -0.024 1.00 0.00 C ATOM 1692 OE1 GLU A 109 19.423 -8.018 0.802 1.00 0.00 O ATOM 1693 OE2 GLU A 109 19.046 -7.363 -1.233 1.00 0.00 O ATOM 0 H GLU A 109 15.690 -4.971 1.810 1.00 0.00 H new ATOM 0 HA GLU A 109 14.902 -7.541 0.779 1.00 0.00 H new ATOM 0 HB2 GLU A 109 17.235 -6.746 2.549 1.00 0.00 H new ATOM 0 HB3 GLU A 109 17.033 -8.299 1.764 1.00 0.00 H new ATOM 0 HG2 GLU A 109 16.723 -6.734 -0.417 1.00 0.00 H new ATOM 0 HG3 GLU A 109 17.669 -5.618 0.547 1.00 0.00 H new ATOM 1700 N ASP A 110 14.101 -6.853 3.798 1.00 0.00 N ATOM 1701 CA ASP A 110 13.347 -7.315 4.957 1.00 0.00 C ATOM 1702 C ASP A 110 11.880 -7.589 4.604 1.00 0.00 C ATOM 1703 O ASP A 110 11.132 -8.162 5.398 1.00 0.00 O ATOM 1704 CB ASP A 110 13.456 -6.251 6.049 1.00 0.00 C ATOM 1705 CG ASP A 110 13.169 -6.854 7.409 1.00 0.00 C ATOM 1706 OD1 ASP A 110 14.060 -7.547 7.950 1.00 0.00 O ATOM 1707 OD2 ASP A 110 12.080 -6.602 7.976 1.00 0.00 O ATOM 0 H ASP A 110 14.191 -5.838 3.753 1.00 0.00 H new ATOM 0 HA ASP A 110 13.763 -8.259 5.309 1.00 0.00 H new ATOM 0 HB2 ASP A 110 14.455 -5.815 6.042 1.00 0.00 H new ATOM 0 HB3 ASP A 110 12.754 -5.442 5.848 1.00 0.00 H new ATOM 1712 N LEU A 111 11.449 -7.182 3.404 1.00 0.00 N ATOM 1713 CA LEU A 111 10.121 -7.462 2.886 1.00 0.00 C ATOM 1714 C LEU A 111 10.045 -8.886 2.353 1.00 0.00 C ATOM 1715 O LEU A 111 11.036 -9.619 2.277 1.00 0.00 O ATOM 1716 CB LEU A 111 9.767 -6.463 1.770 1.00 0.00 C ATOM 1717 CG LEU A 111 9.669 -4.996 2.213 1.00 0.00 C ATOM 1718 CD1 LEU A 111 9.253 -4.170 0.992 1.00 0.00 C ATOM 1719 CD2 LEU A 111 8.648 -4.791 3.338 1.00 0.00 C ATOM 0 H LEU A 111 12.028 -6.641 2.762 1.00 0.00 H new ATOM 0 HA LEU A 111 9.403 -7.356 3.699 1.00 0.00 H new ATOM 0 HB2 LEU A 111 10.519 -6.539 0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 111 8.814 -6.757 1.330 1.00 0.00 H new ATOM 0 HG LEU A 111 10.638 -4.683 2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 111 9.174 -3.120 1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 111 10.000 -4.280 0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 111 8.288 -4.521 0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 111 8.618 -3.737 3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.662 -5.105 2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.938 -5.385 4.205 1.00 0.00 H new ATOM 1731 N LEU A 112 8.841 -9.254 1.926 1.00 0.00 N ATOM 1732 CA LEU A 112 8.576 -10.510 1.261 1.00 0.00 C ATOM 1733 C LEU A 112 8.784 -10.309 -0.230 1.00 0.00 C ATOM 1734 O LEU A 112 8.250 -9.363 -0.830 1.00 0.00 O ATOM 1735 CB LEU A 112 7.131 -10.933 1.533 1.00 0.00 C ATOM 1736 CG LEU A 112 6.916 -11.292 3.012 1.00 0.00 C ATOM 1737 CD1 LEU A 112 5.438 -11.126 3.325 1.00 0.00 C ATOM 1738 CD2 LEU A 112 7.354 -12.717 3.347 1.00 0.00 C ATOM 0 H LEU A 112 8.011 -8.671 2.038 1.00 0.00 H new ATOM 0 HA LEU A 112 9.245 -11.287 1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.456 -10.125 1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 112 6.879 -11.791 0.909 1.00 0.00 H new ATOM 0 HG LEU A 112 7.532 -10.627 3.618 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.257 -11.375 4.371 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.141 -10.093 3.141 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.854 -11.790 2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 112 7.178 -12.913 4.405 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.781 -13.424 2.747 1.00 0.00 H new ATOM 0 HD23 LEU A 112 8.416 -12.832 3.128 1.00 0.00 H new ATOM 1750 N ASP A 113 9.509 -11.244 -0.833 1.00 0.00 N ATOM 1751 CA ASP A 113 9.374 -11.563 -2.237 1.00 0.00 C ATOM 1752 C ASP A 113 8.003 -12.179 -2.466 1.00 0.00 C ATOM 1753 O ASP A 113 7.282 -12.576 -1.558 1.00 0.00 O ATOM 1754 CB ASP A 113 10.481 -12.512 -2.730 1.00 0.00 C ATOM 1755 CG ASP A 113 10.575 -13.818 -1.938 1.00 0.00 C ATOM 1756 OD1 ASP A 113 10.780 -13.755 -0.710 1.00 0.00 O ATOM 1757 OD2 ASP A 113 10.478 -14.922 -2.527 1.00 0.00 O ATOM 0 H ASP A 113 10.212 -11.804 -0.351 1.00 0.00 H new ATOM 0 HA ASP A 113 9.476 -10.642 -2.812 1.00 0.00 H new ATOM 0 HB2 ASP A 113 10.304 -12.747 -3.780 1.00 0.00 H new ATOM 0 HB3 ASP A 113 11.439 -11.996 -2.676 1.00 0.00 H new ATOM 1762 N GLU A 114 7.641 -12.258 -3.728 1.00 0.00 N ATOM 1763 CA GLU A 114 6.310 -12.581 -4.202 1.00 0.00 C ATOM 1764 C GLU A 114 5.959 -14.036 -3.908 1.00 0.00 C ATOM 1765 O GLU A 114 4.816 -14.337 -3.565 1.00 0.00 O ATOM 1766 CB GLU A 114 6.287 -12.294 -5.699 1.00 0.00 C ATOM 1767 CG GLU A 114 4.872 -12.353 -6.270 1.00 0.00 C ATOM 1768 CD GLU A 114 4.849 -11.660 -7.637 1.00 0.00 C ATOM 1769 OE1 GLU A 114 5.006 -10.414 -7.704 1.00 0.00 O ATOM 1770 OE2 GLU A 114 4.719 -12.367 -8.658 1.00 0.00 O ATOM 0 H GLU A 114 8.298 -12.091 -4.490 1.00 0.00 H new ATOM 0 HA GLU A 114 5.562 -11.978 -3.688 1.00 0.00 H new ATOM 0 HB2 GLU A 114 6.713 -11.308 -5.886 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.918 -13.017 -6.217 1.00 0.00 H new ATOM 0 HG2 GLU A 114 4.550 -13.390 -6.369 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.173 -11.866 -5.591 1.00 0.00 H new ATOM 1777 N GLN A 115 6.944 -14.935 -3.997 1.00 0.00 N ATOM 1778 CA GLN A 115 6.768 -16.321 -3.632 1.00 0.00 C ATOM 1779 C GLN A 115 6.547 -16.418 -2.116 1.00 0.00 C ATOM 1780 O GLN A 115 5.748 -17.234 -1.651 1.00 0.00 O ATOM 1781 CB GLN A 115 8.024 -17.090 -4.087 1.00 0.00 C ATOM 1782 CG GLN A 115 8.222 -18.389 -3.300 1.00 0.00 C ATOM 1783 CD GLN A 115 9.398 -19.238 -3.752 1.00 0.00 C ATOM 1784 OE1 GLN A 115 10.015 -18.995 -4.790 1.00 0.00 O ATOM 1785 NE2 GLN A 115 9.728 -20.252 -2.972 1.00 0.00 N ATOM 0 H GLN A 115 7.883 -14.710 -4.326 1.00 0.00 H new ATOM 0 HA GLN A 115 5.895 -16.759 -4.116 1.00 0.00 H new ATOM 0 HB2 GLN A 115 7.943 -17.319 -5.149 1.00 0.00 H new ATOM 0 HB3 GLN A 115 8.901 -16.455 -3.964 1.00 0.00 H new ATOM 0 HG2 GLN A 115 8.355 -18.142 -2.247 1.00 0.00 H new ATOM 0 HG3 GLN A 115 7.312 -18.985 -3.376 1.00 0.00 H new ATOM 0 HE21 GLN A 115 9.200 -20.431 -2.118 1.00 0.00 H new ATOM 0 HE22 GLN A 115 10.511 -20.856 -3.224 1.00 0.00 H new ATOM 1794 N ALA A 116 7.284 -15.625 -1.330 1.00 0.00 N ATOM 1795 CA ALA A 116 7.147 -15.626 0.123 1.00 0.00 C ATOM 1796 C ALA A 116 5.822 -14.995 0.538 1.00 0.00 C ATOM 1797 O ALA A 116 5.230 -15.432 1.525 1.00 0.00 O ATOM 1798 CB ALA A 116 8.317 -14.888 0.772 1.00 0.00 C ATOM 0 H ALA A 116 7.984 -14.972 -1.683 1.00 0.00 H new ATOM 0 HA ALA A 116 7.158 -16.660 0.467 1.00 0.00 H new ATOM 0 HB1 ALA A 116 8.198 -14.899 1.855 1.00 0.00 H new ATOM 0 HB2 ALA A 116 9.252 -15.381 0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 116 8.337 -13.857 0.420 1.00 0.00 H new ATOM 1804 N TYR A 117 5.346 -14.003 -0.221 1.00 0.00 N ATOM 1805 CA TYR A 117 4.015 -13.442 -0.035 1.00 0.00 C ATOM 1806 C TYR A 117 2.947 -14.514 -0.294 1.00 0.00 C ATOM 1807 O TYR A 117 2.022 -14.664 0.502 1.00 0.00 O ATOM 1808 CB TYR A 117 3.870 -12.211 -0.935 1.00 0.00 C ATOM 1809 CG TYR A 117 2.461 -11.675 -1.026 1.00 0.00 C ATOM 1810 CD1 TYR A 117 1.920 -10.925 0.034 1.00 0.00 C ATOM 1811 CD2 TYR A 117 1.677 -11.973 -2.155 1.00 0.00 C ATOM 1812 CE1 TYR A 117 0.579 -10.510 -0.013 1.00 0.00 C ATOM 1813 CE2 TYR A 117 0.337 -11.564 -2.209 1.00 0.00 C ATOM 1814 CZ TYR A 117 -0.225 -10.861 -1.119 1.00 0.00 C ATOM 1815 OH TYR A 117 -1.551 -10.561 -1.112 1.00 0.00 O ATOM 0 H TYR A 117 5.875 -13.571 -0.978 1.00 0.00 H new ATOM 0 HA TYR A 117 3.871 -13.116 0.995 1.00 0.00 H new ATOM 0 HB2 TYR A 117 4.524 -11.423 -0.562 1.00 0.00 H new ATOM 0 HB3 TYR A 117 4.216 -12.464 -1.937 1.00 0.00 H new ATOM 0 HD1 TYR A 117 2.535 -10.668 0.884 1.00 0.00 H new ATOM 0 HD2 TYR A 117 2.108 -12.518 -2.982 1.00 0.00 H new ATOM 0 HE1 TYR A 117 0.164 -9.924 0.794 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -0.263 -11.785 -3.079 1.00 0.00 H new ATOM 0 HH TYR A 117 -1.961 -10.869 -1.947 1.00 0.00 H new ATOM 1825 N GLN A 118 3.103 -15.303 -1.361 1.00 0.00 N ATOM 1826 CA GLN A 118 2.259 -16.459 -1.648 1.00 0.00 C ATOM 1827 C GLN A 118 2.279 -17.452 -0.473 1.00 0.00 C ATOM 1828 O GLN A 118 1.225 -17.929 -0.058 1.00 0.00 O ATOM 1829 CB GLN A 118 2.669 -17.063 -3.013 1.00 0.00 C ATOM 1830 CG GLN A 118 2.955 -18.566 -3.004 1.00 0.00 C ATOM 1831 CD GLN A 118 3.406 -19.096 -4.359 1.00 0.00 C ATOM 1832 OE1 GLN A 118 4.595 -19.082 -4.668 1.00 0.00 O ATOM 1833 NE2 GLN A 118 2.497 -19.636 -5.148 1.00 0.00 N ATOM 0 H GLN A 118 3.832 -15.151 -2.059 1.00 0.00 H new ATOM 0 HA GLN A 118 1.215 -16.162 -1.744 1.00 0.00 H new ATOM 0 HB2 GLN A 118 1.874 -16.865 -3.732 1.00 0.00 H new ATOM 0 HB3 GLN A 118 3.558 -16.543 -3.369 1.00 0.00 H new ATOM 0 HG2 GLN A 118 3.725 -18.779 -2.263 1.00 0.00 H new ATOM 0 HG3 GLN A 118 2.057 -19.099 -2.693 1.00 0.00 H new ATOM 0 HE21 GLN A 118 1.516 -19.636 -4.870 1.00 0.00 H new ATOM 0 HE22 GLN A 118 2.776 -20.054 -6.036 1.00 0.00 H new ATOM 1842 N GLU A 119 3.462 -17.779 0.056 1.00 0.00 N ATOM 1843 CA GLU A 119 3.591 -18.739 1.147 1.00 0.00 C ATOM 1844 C GLU A 119 2.821 -18.254 2.378 1.00 0.00 C ATOM 1845 O GLU A 119 2.050 -19.010 2.966 1.00 0.00 O ATOM 1846 CB GLU A 119 5.064 -19.036 1.492 1.00 0.00 C ATOM 1847 CG GLU A 119 5.145 -20.507 1.927 1.00 0.00 C ATOM 1848 CD GLU A 119 6.488 -20.974 2.490 1.00 0.00 C ATOM 1849 OE1 GLU A 119 7.559 -20.458 2.087 1.00 0.00 O ATOM 1850 OE2 GLU A 119 6.456 -21.900 3.335 1.00 0.00 O ATOM 0 H GLU A 119 4.349 -17.387 -0.260 1.00 0.00 H new ATOM 0 HA GLU A 119 3.154 -19.679 0.810 1.00 0.00 H new ATOM 0 HB2 GLU A 119 5.705 -18.855 0.629 1.00 0.00 H new ATOM 0 HB3 GLU A 119 5.411 -18.380 2.290 1.00 0.00 H new ATOM 0 HG2 GLU A 119 4.378 -20.684 2.681 1.00 0.00 H new ATOM 0 HG3 GLU A 119 4.898 -21.132 1.069 1.00 0.00 H new