USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=20 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 26 ASN : amide:sc= -0.039 K(o=-0.56,f=-1.6) USER MOD Set 1.2: A 29 GLN : amide:sc= -0.524 K(o=-0.56,f=-3.5!) USER MOD Set 2.1: A 25 THR OG1 : rot 158:sc= 1.31 USER MOD Set 2.2: A 117 TYR OH : rot 180:sc= 1.04 USER MOD Set 3.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -179:sc= 0 (180deg=-0.00185) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 148:sc= 1.21 (180deg=0.515) USER MOD Single : A 6 TYR OH : rot 110:sc= 1.29 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0913 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 150:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.485 K(o=-0.49,f=-1.9) USER MOD Single : A 14 SER OG : rot 110:sc= 0.864 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.0547 X(o=-0.055,f=0) USER MOD Single : A 31 GLN : amide:sc= -0.369 X(o=-0.37,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -165:sc= -0.0157 (180deg=-0.209) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -43:sc= -1.11 USER MOD Single : A 60 LYS NZ :NH3+ 157:sc= -0.125 (180deg=-0.853) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0.129 USER MOD Single : A 72 LYS NZ :NH3+ -148:sc= 0.952 (180deg=0.369) USER MOD Single : A 77 ASN : amide:sc= -1.2 K(o=-1.2,f=-4!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 2:sc= 0.0428 USER MOD Single : A 88 ASN : amide:sc= 0.676 K(o=0.68,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl -169:sc= -0.627 (180deg=-0.857) USER MOD Single : A 103 SER OG : rot 180:sc= -0.0336 USER MOD Single : A 115 GLN : amide:sc= 0.947 K(o=0.95,f=-0.25) USER MOD Single : A 118 GLN : amide:sc= 0.458 K(o=0.46,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 40 N MET A 3 11.961 -2.102 -8.722 1.00 0.00 N ATOM 41 CA MET A 3 11.563 -3.349 -8.055 1.00 0.00 C ATOM 42 C MET A 3 10.200 -3.231 -7.348 1.00 0.00 C ATOM 43 O MET A 3 9.699 -2.122 -7.150 1.00 0.00 O ATOM 44 CB MET A 3 12.656 -3.693 -7.033 1.00 0.00 C ATOM 45 CG MET A 3 12.796 -2.643 -5.932 1.00 0.00 C ATOM 46 SD MET A 3 14.447 -2.529 -5.234 1.00 0.00 S ATOM 47 CE MET A 3 15.148 -1.332 -6.372 1.00 0.00 C ATOM 0 HA MET A 3 11.454 -4.133 -8.805 1.00 0.00 H new ATOM 0 HB2 MET A 3 12.431 -4.659 -6.580 1.00 0.00 H new ATOM 0 HB3 MET A 3 13.610 -3.798 -7.551 1.00 0.00 H new ATOM 0 HG2 MET A 3 12.515 -1.670 -6.335 1.00 0.00 H new ATOM 0 HG3 MET A 3 12.091 -2.873 -5.134 1.00 0.00 H new ATOM 0 HE1 MET A 3 16.189 -1.144 -6.107 1.00 0.00 H new ATOM 0 HE2 MET A 3 15.097 -1.723 -7.388 1.00 0.00 H new ATOM 0 HE3 MET A 3 14.585 -0.401 -6.313 1.00 0.00 H new ATOM 57 N LYS A 4 9.616 -4.352 -6.898 1.00 0.00 N ATOM 58 CA LYS A 4 8.333 -4.394 -6.194 1.00 0.00 C ATOM 59 C LYS A 4 8.337 -5.448 -5.087 1.00 0.00 C ATOM 60 O LYS A 4 8.421 -6.640 -5.388 1.00 0.00 O ATOM 61 CB LYS A 4 7.174 -4.616 -7.191 1.00 0.00 C ATOM 62 CG LYS A 4 5.837 -4.953 -6.492 1.00 0.00 C ATOM 63 CD LYS A 4 4.594 -4.345 -7.148 1.00 0.00 C ATOM 64 CE LYS A 4 4.177 -5.147 -8.382 1.00 0.00 C ATOM 65 NZ LYS A 4 2.782 -4.870 -8.774 1.00 0.00 N ATOM 0 H LYS A 4 10.036 -5.274 -7.018 1.00 0.00 H new ATOM 0 HA LYS A 4 8.179 -3.429 -5.712 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.046 -3.719 -7.797 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.437 -5.426 -7.872 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.722 -6.037 -6.464 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.888 -4.611 -5.458 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.774 -4.323 -6.430 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.797 -3.313 -7.432 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.842 -4.907 -9.212 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.292 -6.212 -8.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.539 -5.433 -9.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.145 -5.123 -7.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.677 -3.859 -8.993 1.00 0.00 H new ATOM 79 N LYS A 5 8.229 -5.027 -3.820 1.00 0.00 N ATOM 80 CA LYS A 5 8.047 -5.934 -2.674 1.00 0.00 C ATOM 81 C LYS A 5 6.680 -5.790 -2.002 1.00 0.00 C ATOM 82 O LYS A 5 5.847 -5.022 -2.480 1.00 0.00 O ATOM 83 CB LYS A 5 9.245 -5.806 -1.724 1.00 0.00 C ATOM 84 CG LYS A 5 10.396 -6.708 -2.207 1.00 0.00 C ATOM 85 CD LYS A 5 11.737 -5.984 -2.181 1.00 0.00 C ATOM 86 CE LYS A 5 12.896 -6.987 -2.168 1.00 0.00 C ATOM 87 NZ LYS A 5 13.570 -7.095 -3.476 1.00 0.00 N ATOM 0 H LYS A 5 8.265 -4.042 -3.557 1.00 0.00 H new ATOM 0 HA LYS A 5 8.033 -6.962 -3.037 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.577 -4.769 -1.682 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.950 -6.088 -0.713 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.451 -7.595 -1.576 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.188 -7.050 -3.221 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.822 -5.334 -3.052 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.793 -5.345 -1.300 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.623 -6.687 -1.413 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.520 -7.967 -1.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.578 -7.305 -3.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.133 -7.860 -4.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.474 -6.197 -3.991 1.00 0.00 H new ATOM 101 N TYR A 6 6.424 -6.580 -0.952 1.00 0.00 N ATOM 102 CA TYR A 6 5.123 -6.770 -0.304 1.00 0.00 C ATOM 103 C TYR A 6 5.294 -6.834 1.216 1.00 0.00 C ATOM 104 O TYR A 6 6.388 -7.136 1.694 1.00 0.00 O ATOM 105 CB TYR A 6 4.510 -8.092 -0.794 1.00 0.00 C ATOM 106 CG TYR A 6 4.185 -8.148 -2.270 1.00 0.00 C ATOM 107 CD1 TYR A 6 5.218 -8.319 -3.209 1.00 0.00 C ATOM 108 CD2 TYR A 6 2.857 -7.995 -2.706 1.00 0.00 C ATOM 109 CE1 TYR A 6 4.952 -8.192 -4.579 1.00 0.00 C ATOM 110 CE2 TYR A 6 2.571 -7.948 -4.081 1.00 0.00 C ATOM 111 CZ TYR A 6 3.627 -7.998 -5.017 1.00 0.00 C ATOM 112 OH TYR A 6 3.375 -7.800 -6.336 1.00 0.00 O ATOM 0 H TYR A 6 7.158 -7.132 -0.509 1.00 0.00 H new ATOM 0 HA TYR A 6 4.472 -5.933 -0.556 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.201 -8.902 -0.560 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.596 -8.280 -0.231 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.219 -8.549 -2.873 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.057 -7.914 -1.985 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.759 -8.243 -5.295 1.00 0.00 H new ATOM 0 HE2 TYR A 6 1.548 -7.874 -4.420 1.00 0.00 H new ATOM 0 HH TYR A 6 2.915 -8.584 -6.702 1.00 0.00 H new ATOM 122 N THR A 7 4.226 -6.630 1.995 1.00 0.00 N ATOM 123 CA THR A 7 4.260 -6.681 3.448 1.00 0.00 C ATOM 124 C THR A 7 3.214 -7.665 3.965 1.00 0.00 C ATOM 125 O THR A 7 2.404 -8.223 3.219 1.00 0.00 O ATOM 126 CB THR A 7 4.093 -5.276 4.047 1.00 0.00 C ATOM 127 OG1 THR A 7 2.788 -4.792 3.821 1.00 0.00 O ATOM 128 CG2 THR A 7 5.118 -4.296 3.476 1.00 0.00 C ATOM 0 H THR A 7 3.301 -6.422 1.620 1.00 0.00 H new ATOM 0 HA THR A 7 5.235 -7.045 3.771 1.00 0.00 H new ATOM 0 HB THR A 7 4.263 -5.357 5.121 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.699 -3.897 4.211 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.969 -3.313 3.923 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.124 -4.649 3.702 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.992 -4.226 2.396 1.00 0.00 H new ATOM 136 N LYS A 8 3.263 -7.883 5.274 1.00 0.00 N ATOM 137 CA LYS A 8 2.530 -8.919 5.998 1.00 0.00 C ATOM 138 C LYS A 8 1.164 -8.400 6.458 1.00 0.00 C ATOM 139 O LYS A 8 0.565 -8.992 7.350 1.00 0.00 O ATOM 140 CB LYS A 8 3.358 -9.439 7.194 1.00 0.00 C ATOM 141 CG LYS A 8 4.838 -9.770 6.901 1.00 0.00 C ATOM 142 CD LYS A 8 5.168 -11.261 6.800 1.00 0.00 C ATOM 143 CE LYS A 8 4.955 -11.952 8.143 1.00 0.00 C ATOM 144 NZ LYS A 8 5.641 -13.253 8.200 1.00 0.00 N ATOM 0 H LYS A 8 3.843 -7.315 5.891 1.00 0.00 H new ATOM 0 HA LYS A 8 2.359 -9.754 5.318 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.324 -8.691 7.986 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.876 -10.336 7.581 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.123 -9.288 5.966 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.454 -9.331 7.686 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.539 -11.727 6.042 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.202 -11.389 6.479 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.323 -11.311 8.944 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.888 -12.095 8.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.474 -13.693 9.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.272 -13.873 7.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.662 -13.113 8.062 1.00 0.00 H new ATOM 158 N THR A 9 0.672 -7.297 5.893 1.00 0.00 N ATOM 159 CA THR A 9 -0.697 -6.837 6.086 1.00 0.00 C ATOM 160 C THR A 9 -1.256 -6.419 4.718 1.00 0.00 C ATOM 161 O THR A 9 -1.683 -5.286 4.501 1.00 0.00 O ATOM 162 CB THR A 9 -0.750 -5.777 7.205 1.00 0.00 C ATOM 163 OG1 THR A 9 -2.090 -5.454 7.538 1.00 0.00 O ATOM 164 CG2 THR A 9 0.090 -4.534 6.853 1.00 0.00 C ATOM 0 H THR A 9 1.222 -6.693 5.282 1.00 0.00 H new ATOM 0 HA THR A 9 -1.358 -7.624 6.450 1.00 0.00 H new ATOM 0 HB THR A 9 -0.296 -6.208 8.098 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.140 -5.197 8.482 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.027 -3.810 7.666 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.130 -4.827 6.707 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.292 -4.084 5.937 1.00 0.00 H new ATOM 172 N HIS A 10 -1.249 -7.365 3.770 1.00 0.00 N ATOM 173 CA HIS A 10 -1.863 -7.255 2.446 1.00 0.00 C ATOM 174 C HIS A 10 -1.583 -5.912 1.767 1.00 0.00 C ATOM 175 O HIS A 10 -2.522 -5.247 1.320 1.00 0.00 O ATOM 176 CB HIS A 10 -3.367 -7.601 2.517 1.00 0.00 C ATOM 177 CG HIS A 10 -4.155 -6.852 3.553 1.00 0.00 C ATOM 178 ND1 HIS A 10 -4.512 -5.525 3.459 1.00 0.00 N ATOM 179 CD2 HIS A 10 -4.637 -7.356 4.728 1.00 0.00 C ATOM 180 CE1 HIS A 10 -5.252 -5.240 4.546 1.00 0.00 C ATOM 181 NE2 HIS A 10 -5.339 -6.334 5.328 1.00 0.00 N ATOM 0 H HIS A 10 -0.794 -8.267 3.914 1.00 0.00 H new ATOM 0 HA HIS A 10 -1.389 -7.993 1.799 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.812 -7.411 1.540 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -3.467 -8.669 2.711 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -4.496 -8.356 5.110 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -5.706 -4.283 4.759 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -5.840 -6.395 6.214 1.00 0.00 H new ATOM 190 N GLU A 11 -0.314 -5.515 1.667 1.00 0.00 N ATOM 191 CA GLU A 11 0.109 -4.314 0.953 1.00 0.00 C ATOM 192 C GLU A 11 1.231 -4.714 -0.007 1.00 0.00 C ATOM 193 O GLU A 11 2.006 -5.638 0.275 1.00 0.00 O ATOM 194 CB GLU A 11 0.584 -3.222 1.936 1.00 0.00 C ATOM 195 CG GLU A 11 0.388 -1.797 1.404 1.00 0.00 C ATOM 196 CD GLU A 11 1.408 -0.823 2.000 1.00 0.00 C ATOM 197 OE1 GLU A 11 1.296 -0.461 3.191 1.00 0.00 O ATOM 198 OE2 GLU A 11 2.329 -0.445 1.246 1.00 0.00 O ATOM 0 H GLU A 11 0.460 -6.029 2.088 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.729 -3.893 0.397 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.042 -3.329 2.876 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.640 -3.377 2.157 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.479 -1.799 0.318 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.620 -1.457 1.639 1.00 0.00 H new ATOM 205 N TRP A 12 1.333 -4.002 -1.126 1.00 0.00 N ATOM 206 CA TRP A 12 2.435 -4.072 -2.082 1.00 0.00 C ATOM 207 C TRP A 12 3.088 -2.700 -2.235 1.00 0.00 C ATOM 208 O TRP A 12 2.488 -1.681 -1.895 1.00 0.00 O ATOM 209 CB TRP A 12 1.924 -4.582 -3.430 1.00 0.00 C ATOM 210 CG TRP A 12 0.858 -3.749 -4.071 1.00 0.00 C ATOM 211 CD1 TRP A 12 -0.459 -4.045 -4.043 1.00 0.00 C ATOM 212 CD2 TRP A 12 0.968 -2.489 -4.811 1.00 0.00 C ATOM 213 NE1 TRP A 12 -1.162 -3.071 -4.704 1.00 0.00 N ATOM 214 CE2 TRP A 12 -0.337 -2.108 -5.232 1.00 0.00 C ATOM 215 CE3 TRP A 12 2.015 -1.618 -5.183 1.00 0.00 C ATOM 216 CZ2 TRP A 12 -0.585 -0.986 -6.037 1.00 0.00 C ATOM 217 CZ3 TRP A 12 1.764 -0.442 -5.915 1.00 0.00 C ATOM 218 CH2 TRP A 12 0.477 -0.141 -6.378 1.00 0.00 C ATOM 0 H TRP A 12 0.618 -3.330 -1.404 1.00 0.00 H new ATOM 0 HA TRP A 12 3.186 -4.769 -1.710 1.00 0.00 H new ATOM 0 HB2 TRP A 12 2.768 -4.652 -4.116 1.00 0.00 H new ATOM 0 HB3 TRP A 12 1.539 -5.593 -3.294 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -0.892 -4.915 -3.572 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.178 -3.062 -4.793 1.00 0.00 H new ATOM 0 HE3 TRP A 12 3.029 -1.859 -4.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.584 -0.777 -6.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 2.576 0.239 -6.123 1.00 0.00 H new ATOM 0 HH2 TRP A 12 0.306 0.732 -6.990 1.00 0.00 H new ATOM 229 N VAL A 13 4.305 -2.678 -2.780 1.00 0.00 N ATOM 230 CA VAL A 13 5.213 -1.542 -2.772 1.00 0.00 C ATOM 231 C VAL A 13 5.933 -1.498 -4.135 1.00 0.00 C ATOM 232 O VAL A 13 6.532 -2.489 -4.526 1.00 0.00 O ATOM 233 CB VAL A 13 6.249 -1.726 -1.631 1.00 0.00 C ATOM 234 CG1 VAL A 13 6.751 -0.349 -1.198 1.00 0.00 C ATOM 235 CG2 VAL A 13 5.758 -2.458 -0.366 1.00 0.00 C ATOM 0 H VAL A 13 4.697 -3.489 -3.259 1.00 0.00 H new ATOM 0 HA VAL A 13 4.669 -0.612 -2.607 1.00 0.00 H new ATOM 0 HB VAL A 13 7.020 -2.364 -2.063 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.480 -0.463 -0.396 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.219 0.151 -2.046 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.912 0.249 -0.843 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.572 -2.523 0.356 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.927 -1.907 0.074 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.428 -3.462 -0.632 1.00 0.00 H new ATOM 245 N SER A 14 5.907 -0.380 -4.859 1.00 0.00 N ATOM 246 CA SER A 14 6.353 -0.198 -6.244 1.00 0.00 C ATOM 247 C SER A 14 7.515 0.793 -6.293 1.00 0.00 C ATOM 248 O SER A 14 7.355 1.964 -6.644 1.00 0.00 O ATOM 249 CB SER A 14 5.188 0.352 -7.064 1.00 0.00 C ATOM 250 OG SER A 14 4.411 -0.656 -7.675 1.00 0.00 O ATOM 0 H SER A 14 5.547 0.489 -4.465 1.00 0.00 H new ATOM 0 HA SER A 14 6.684 -1.154 -6.650 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.548 0.952 -6.417 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.577 1.018 -7.834 1.00 0.00 H new ATOM 0 HG SER A 14 3.535 -0.703 -7.239 1.00 0.00 H new ATOM 256 N ILE A 15 8.691 0.337 -5.890 1.00 0.00 N ATOM 257 CA ILE A 15 9.914 1.114 -5.840 1.00 0.00 C ATOM 258 C ILE A 15 10.423 1.307 -7.265 1.00 0.00 C ATOM 259 O ILE A 15 11.105 0.444 -7.818 1.00 0.00 O ATOM 260 CB ILE A 15 10.946 0.405 -4.946 1.00 0.00 C ATOM 261 CG1 ILE A 15 10.403 0.206 -3.517 1.00 0.00 C ATOM 262 CG2 ILE A 15 12.261 1.209 -4.920 1.00 0.00 C ATOM 263 CD1 ILE A 15 9.750 -1.163 -3.273 1.00 0.00 C ATOM 0 H ILE A 15 8.822 -0.625 -5.576 1.00 0.00 H new ATOM 0 HA ILE A 15 9.732 2.096 -5.403 1.00 0.00 H new ATOM 0 HB ILE A 15 11.143 -0.582 -5.365 1.00 0.00 H new ATOM 0 HG12 ILE A 15 11.221 0.336 -2.809 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.672 0.987 -3.307 1.00 0.00 H new ATOM 0 HG21 ILE A 15 12.986 0.700 -4.285 1.00 0.00 H new ATOM 0 HG22 ILE A 15 12.658 1.290 -5.932 1.00 0.00 H new ATOM 0 HG23 ILE A 15 12.070 2.207 -4.525 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.396 -1.219 -2.244 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.909 -1.291 -3.954 1.00 0.00 H new ATOM 0 HD13 ILE A 15 10.482 -1.952 -3.448 1.00 0.00 H new ATOM 275 N GLU A 16 10.123 2.453 -7.871 1.00 0.00 N ATOM 276 CA GLU A 16 10.593 2.710 -9.226 1.00 0.00 C ATOM 277 C GLU A 16 11.967 3.373 -9.226 1.00 0.00 C ATOM 278 O GLU A 16 12.880 2.817 -9.839 1.00 0.00 O ATOM 279 CB GLU A 16 9.533 3.394 -10.094 1.00 0.00 C ATOM 280 CG GLU A 16 8.950 4.710 -9.582 1.00 0.00 C ATOM 281 CD GLU A 16 7.729 5.098 -10.418 1.00 0.00 C ATOM 282 OE1 GLU A 16 7.745 4.948 -11.666 1.00 0.00 O ATOM 283 OE2 GLU A 16 6.692 5.472 -9.819 1.00 0.00 O ATOM 0 H GLU A 16 9.569 3.202 -7.456 1.00 0.00 H new ATOM 0 HA GLU A 16 10.748 1.751 -9.720 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.969 3.578 -11.076 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.710 2.693 -10.236 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.667 4.609 -8.534 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.703 5.496 -9.635 1.00 0.00 H new ATOM 290 N ASP A 17 12.122 4.516 -8.549 1.00 0.00 N ATOM 291 CA ASP A 17 13.299 5.378 -8.708 1.00 0.00 C ATOM 292 C ASP A 17 13.810 5.837 -7.332 1.00 0.00 C ATOM 293 O ASP A 17 14.769 5.257 -6.821 1.00 0.00 O ATOM 294 CB ASP A 17 12.976 6.522 -9.698 1.00 0.00 C ATOM 295 CG ASP A 17 13.896 6.543 -10.918 1.00 0.00 C ATOM 296 OD1 ASP A 17 14.146 5.483 -11.542 1.00 0.00 O ATOM 297 OD2 ASP A 17 14.402 7.635 -11.250 1.00 0.00 O ATOM 0 H ASP A 17 11.439 4.869 -7.879 1.00 0.00 H new ATOM 0 HA ASP A 17 14.128 4.827 -9.152 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.943 6.423 -10.032 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.053 7.476 -9.177 1.00 0.00 H new ATOM 302 N LYS A 18 13.144 6.799 -6.681 1.00 0.00 N ATOM 303 CA LYS A 18 13.307 7.116 -5.249 1.00 0.00 C ATOM 304 C LYS A 18 11.966 7.077 -4.522 1.00 0.00 C ATOM 305 O LYS A 18 11.912 7.407 -3.339 1.00 0.00 O ATOM 306 CB LYS A 18 13.950 8.496 -4.991 1.00 0.00 C ATOM 307 CG LYS A 18 15.368 8.699 -5.539 1.00 0.00 C ATOM 308 CD LYS A 18 16.148 9.790 -4.780 1.00 0.00 C ATOM 309 CE LYS A 18 15.447 11.158 -4.761 1.00 0.00 C ATOM 310 NZ LYS A 18 16.035 12.085 -3.773 1.00 0.00 N ATOM 0 H LYS A 18 12.458 7.396 -7.144 1.00 0.00 H new ATOM 0 HA LYS A 18 13.980 6.349 -4.865 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.304 9.260 -5.423 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.971 8.667 -3.915 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.915 7.758 -5.478 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.311 8.967 -6.594 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.308 9.461 -3.753 1.00 0.00 H new ATOM 0 HD3 LYS A 18 17.132 9.903 -5.236 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.506 11.606 -5.753 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.390 11.017 -4.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.526 12.991 -3.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.956 11.673 -2.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 17.037 12.244 -4.000 1.00 0.00 H new ATOM 324 N VAL A 19 10.878 6.723 -5.201 1.00 0.00 N ATOM 325 CA VAL A 19 9.544 6.733 -4.633 1.00 0.00 C ATOM 326 C VAL A 19 8.928 5.360 -4.868 1.00 0.00 C ATOM 327 O VAL A 19 9.135 4.734 -5.916 1.00 0.00 O ATOM 328 CB VAL A 19 8.717 7.890 -5.231 1.00 0.00 C ATOM 329 CG1 VAL A 19 7.334 7.990 -4.581 1.00 0.00 C ATOM 330 CG2 VAL A 19 9.395 9.252 -5.031 1.00 0.00 C ATOM 0 H VAL A 19 10.905 6.418 -6.174 1.00 0.00 H new ATOM 0 HA VAL A 19 9.568 6.915 -3.559 1.00 0.00 H new ATOM 0 HB VAL A 19 8.633 7.661 -6.293 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.781 8.816 -5.028 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.789 7.060 -4.741 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.447 8.165 -3.511 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.775 10.035 -5.469 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.521 9.443 -3.965 1.00 0.00 H new ATOM 0 HG23 VAL A 19 10.371 9.248 -5.517 1.00 0.00 H new ATOM 340 N ALA A 20 8.160 4.905 -3.882 1.00 0.00 N ATOM 341 CA ALA A 20 7.489 3.628 -3.845 1.00 0.00 C ATOM 342 C ALA A 20 5.988 3.860 -3.788 1.00 0.00 C ATOM 343 O ALA A 20 5.461 4.317 -2.766 1.00 0.00 O ATOM 344 CB ALA A 20 7.999 2.838 -2.644 1.00 0.00 C ATOM 0 H ALA A 20 7.985 5.457 -3.043 1.00 0.00 H new ATOM 0 HA ALA A 20 7.700 3.045 -4.742 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.499 1.870 -2.606 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.074 2.687 -2.738 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.789 3.391 -1.729 1.00 0.00 H new ATOM 350 N THR A 21 5.293 3.559 -4.882 1.00 0.00 N ATOM 351 CA THR A 21 3.831 3.561 -4.866 1.00 0.00 C ATOM 352 C THR A 21 3.371 2.389 -3.991 1.00 0.00 C ATOM 353 O THR A 21 4.022 1.352 -3.968 1.00 0.00 O ATOM 354 CB THR A 21 3.275 3.509 -6.304 1.00 0.00 C ATOM 355 OG1 THR A 21 3.822 4.558 -7.072 1.00 0.00 O ATOM 356 CG2 THR A 21 1.754 3.628 -6.354 1.00 0.00 C ATOM 0 H THR A 21 5.710 3.314 -5.780 1.00 0.00 H new ATOM 0 HA THR A 21 3.439 4.483 -4.436 1.00 0.00 H new ATOM 0 HB THR A 21 3.557 2.537 -6.708 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.465 4.516 -7.984 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.420 3.585 -7.391 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.306 2.807 -5.794 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.449 4.577 -5.913 1.00 0.00 H new ATOM 364 N VAL A 22 2.294 2.546 -3.239 1.00 0.00 N ATOM 365 CA VAL A 22 1.652 1.555 -2.387 1.00 0.00 C ATOM 366 C VAL A 22 0.261 1.205 -2.855 1.00 0.00 C ATOM 367 O VAL A 22 -0.403 2.087 -3.360 1.00 0.00 O ATOM 368 CB VAL A 22 1.701 2.031 -0.923 1.00 0.00 C ATOM 369 CG1 VAL A 22 2.311 3.391 -0.598 1.00 0.00 C ATOM 370 CG2 VAL A 22 0.468 1.819 -0.046 1.00 0.00 C ATOM 0 H VAL A 22 1.806 3.441 -3.205 1.00 0.00 H new ATOM 0 HA VAL A 22 2.207 0.619 -2.455 1.00 0.00 H new ATOM 0 HB VAL A 22 2.443 1.281 -0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.263 3.564 0.477 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.352 3.410 -0.922 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.755 4.172 -1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.662 2.207 0.954 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.382 2.344 -0.481 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.244 0.754 0.015 1.00 0.00 H new ATOM 380 N GLY A 23 -0.242 0.004 -2.582 1.00 0.00 N ATOM 381 CA GLY A 23 -1.669 -0.298 -2.608 1.00 0.00 C ATOM 382 C GLY A 23 -1.937 -1.562 -1.797 1.00 0.00 C ATOM 383 O GLY A 23 -1.016 -2.341 -1.536 1.00 0.00 O ATOM 0 H GLY A 23 0.338 -0.797 -2.333 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.236 0.537 -2.197 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.004 -0.435 -3.636 1.00 0.00 H new ATOM 387 N ILE A 24 -3.183 -1.800 -1.374 1.00 0.00 N ATOM 388 CA ILE A 24 -3.518 -3.099 -0.788 1.00 0.00 C ATOM 389 C ILE A 24 -3.577 -4.139 -1.912 1.00 0.00 C ATOM 390 O ILE A 24 -3.882 -3.819 -3.055 1.00 0.00 O ATOM 391 CB ILE A 24 -4.795 -3.086 0.089 1.00 0.00 C ATOM 392 CG1 ILE A 24 -5.972 -2.304 -0.528 1.00 0.00 C ATOM 393 CG2 ILE A 24 -4.471 -2.554 1.502 1.00 0.00 C ATOM 394 CD1 ILE A 24 -7.331 -2.632 0.112 1.00 0.00 C ATOM 0 H ILE A 24 -3.953 -1.133 -1.424 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.731 -3.368 -0.083 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.128 -4.122 0.152 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.780 -1.236 -0.427 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.021 -2.519 -1.595 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.378 -2.551 2.106 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.725 -3.196 1.970 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.081 -1.539 1.428 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.112 -2.045 -0.372 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.545 -3.694 -0.012 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.301 -2.390 1.174 1.00 0.00 H new ATOM 406 N THR A 25 -3.245 -5.391 -1.609 1.00 0.00 N ATOM 407 CA THR A 25 -3.337 -6.508 -2.549 1.00 0.00 C ATOM 408 C THR A 25 -4.793 -6.978 -2.733 1.00 0.00 C ATOM 409 O THR A 25 -5.706 -6.583 -1.999 1.00 0.00 O ATOM 410 CB THR A 25 -2.418 -7.640 -2.057 1.00 0.00 C ATOM 411 OG1 THR A 25 -2.599 -7.865 -0.675 1.00 0.00 O ATOM 412 CG2 THR A 25 -0.940 -7.310 -2.282 1.00 0.00 C ATOM 0 H THR A 25 -2.899 -5.664 -0.689 1.00 0.00 H new ATOM 0 HA THR A 25 -3.004 -6.184 -3.535 1.00 0.00 H new ATOM 0 HB THR A 25 -2.687 -8.527 -2.631 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.302 -8.771 -0.449 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.324 -8.134 -1.921 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.759 -7.160 -3.346 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.683 -6.401 -1.739 1.00 0.00 H new ATOM 420 N ASN A 26 -5.031 -7.857 -3.712 1.00 0.00 N ATOM 421 CA ASN A 26 -6.370 -8.302 -4.116 1.00 0.00 C ATOM 422 C ASN A 26 -7.112 -9.038 -2.999 1.00 0.00 C ATOM 423 O ASN A 26 -8.323 -8.873 -2.842 1.00 0.00 O ATOM 424 CB ASN A 26 -6.217 -9.222 -5.331 1.00 0.00 C ATOM 425 CG ASN A 26 -7.527 -9.398 -6.081 1.00 0.00 C ATOM 426 OD1 ASN A 26 -8.382 -10.192 -5.702 1.00 0.00 O ATOM 427 ND2 ASN A 26 -7.709 -8.637 -7.143 1.00 0.00 N ATOM 0 H ASN A 26 -4.284 -8.288 -4.257 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.966 -7.422 -4.356 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.466 -8.810 -6.005 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.853 -10.196 -5.005 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.579 -8.700 -7.672 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.980 -7.986 -7.435 1.00 0.00 H new ATOM 434 N HIS A 27 -6.399 -9.783 -2.152 1.00 0.00 N ATOM 435 CA HIS A 27 -7.010 -10.488 -1.026 1.00 0.00 C ATOM 436 C HIS A 27 -7.730 -9.530 -0.069 1.00 0.00 C ATOM 437 O HIS A 27 -8.662 -9.935 0.621 1.00 0.00 O ATOM 438 CB HIS A 27 -5.933 -11.309 -0.309 1.00 0.00 C ATOM 439 CG HIS A 27 -6.467 -12.186 0.796 1.00 0.00 C ATOM 440 ND1 HIS A 27 -6.806 -13.521 0.682 1.00 0.00 N ATOM 441 CD2 HIS A 27 -6.679 -11.800 2.090 1.00 0.00 C ATOM 442 CE1 HIS A 27 -7.190 -13.941 1.905 1.00 0.00 C ATOM 443 NE2 HIS A 27 -7.122 -12.912 2.774 1.00 0.00 N ATOM 0 H HIS A 27 -5.390 -9.913 -2.227 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.778 -11.162 -1.406 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.420 -11.934 -1.040 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.189 -10.630 0.107 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.528 -10.812 2.499 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -7.503 -14.945 2.150 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -7.358 -12.950 3.766 1.00 0.00 H new ATOM 452 N ALA A 28 -7.325 -8.258 -0.014 1.00 0.00 N ATOM 453 CA ALA A 28 -7.988 -7.255 0.803 1.00 0.00 C ATOM 454 C ALA A 28 -9.333 -6.848 0.197 1.00 0.00 C ATOM 455 O ALA A 28 -10.334 -6.780 0.909 1.00 0.00 O ATOM 456 CB ALA A 28 -7.074 -6.042 0.896 1.00 0.00 C ATOM 0 H ALA A 28 -6.526 -7.901 -0.538 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.184 -7.667 1.793 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.550 -5.274 1.505 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.128 -6.333 1.353 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.888 -5.649 -0.104 1.00 0.00 H new ATOM 462 N GLN A 29 -9.374 -6.556 -1.108 1.00 0.00 N ATOM 463 CA GLN A 29 -10.624 -6.154 -1.748 1.00 0.00 C ATOM 464 C GLN A 29 -11.642 -7.302 -1.711 1.00 0.00 C ATOM 465 O GLN A 29 -12.829 -7.038 -1.566 1.00 0.00 O ATOM 466 CB GLN A 29 -10.372 -5.517 -3.130 1.00 0.00 C ATOM 467 CG GLN A 29 -9.814 -6.356 -4.265 1.00 0.00 C ATOM 468 CD GLN A 29 -10.813 -7.349 -4.812 1.00 0.00 C ATOM 469 OE1 GLN A 29 -11.825 -7.019 -5.407 1.00 0.00 O ATOM 470 NE2 GLN A 29 -10.537 -8.607 -4.605 1.00 0.00 N ATOM 0 H GLN A 29 -8.567 -6.591 -1.731 1.00 0.00 H new ATOM 0 HA GLN A 29 -11.092 -5.352 -1.178 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -11.319 -5.100 -3.472 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.690 -4.680 -2.981 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.487 -5.697 -5.070 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.932 -6.892 -3.914 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.686 -8.867 -4.106 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.172 -9.331 -4.943 1.00 0.00 H new ATOM 479 N GLU A 30 -11.192 -8.564 -1.681 1.00 0.00 N ATOM 480 CA GLU A 30 -12.038 -9.742 -1.657 1.00 0.00 C ATOM 481 C GLU A 30 -12.891 -9.797 -0.377 1.00 0.00 C ATOM 482 O GLU A 30 -13.978 -10.371 -0.387 1.00 0.00 O ATOM 483 CB GLU A 30 -11.102 -10.966 -1.749 1.00 0.00 C ATOM 484 CG GLU A 30 -10.892 -11.479 -3.182 1.00 0.00 C ATOM 485 CD GLU A 30 -10.460 -12.944 -3.278 1.00 0.00 C ATOM 486 OE1 GLU A 30 -9.328 -13.292 -2.862 1.00 0.00 O ATOM 487 OE2 GLU A 30 -11.222 -13.746 -3.877 1.00 0.00 O ATOM 0 H GLU A 30 -10.197 -8.789 -1.673 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.740 -9.724 -2.491 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.134 -10.705 -1.321 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.512 -11.772 -1.141 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.820 -11.350 -3.739 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.139 -10.859 -3.669 1.00 0.00 H new ATOM 494 N GLN A 31 -12.414 -9.216 0.733 1.00 0.00 N ATOM 495 CA GLN A 31 -13.134 -9.167 1.994 1.00 0.00 C ATOM 496 C GLN A 31 -14.032 -7.940 2.090 1.00 0.00 C ATOM 497 O GLN A 31 -15.224 -8.099 2.360 1.00 0.00 O ATOM 498 CB GLN A 31 -12.264 -9.378 3.232 1.00 0.00 C ATOM 499 CG GLN A 31 -10.908 -8.714 3.132 1.00 0.00 C ATOM 500 CD GLN A 31 -9.922 -9.089 4.228 1.00 0.00 C ATOM 501 OE1 GLN A 31 -9.157 -8.246 4.691 1.00 0.00 O ATOM 502 NE2 GLN A 31 -9.844 -10.347 4.619 1.00 0.00 N ATOM 0 H GLN A 31 -11.501 -8.762 0.771 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.788 -10.039 1.987 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.787 -8.989 4.106 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.126 -10.447 3.392 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.468 -8.966 2.167 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -11.048 -7.633 3.146 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.482 -11.042 4.231 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.146 -10.624 5.309 1.00 0.00 H new ATOM 511 N LEU A 32 -13.483 -6.734 1.903 1.00 0.00 N ATOM 512 CA LEU A 32 -14.243 -5.482 2.020 1.00 0.00 C ATOM 513 C LEU A 32 -15.350 -5.436 0.960 1.00 0.00 C ATOM 514 O LEU A 32 -16.489 -5.089 1.278 1.00 0.00 O ATOM 515 CB LEU A 32 -13.317 -4.258 1.886 1.00 0.00 C ATOM 516 CG LEU A 32 -12.271 -4.093 3.012 1.00 0.00 C ATOM 517 CD1 LEU A 32 -11.515 -2.784 2.829 1.00 0.00 C ATOM 518 CD2 LEU A 32 -12.856 -3.956 4.417 1.00 0.00 C ATOM 0 H LEU A 32 -12.500 -6.598 1.666 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.700 -5.450 3.009 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.793 -4.323 0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.933 -3.359 1.851 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.667 -4.997 2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.780 -2.674 3.626 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.007 -2.789 1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.217 -1.951 2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.047 -3.845 5.139 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.502 -3.079 4.458 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.437 -4.846 4.657 1.00 0.00 H new ATOM 530 N GLY A 33 -15.042 -5.822 -0.281 1.00 0.00 N ATOM 531 CA GLY A 33 -15.960 -5.741 -1.399 1.00 0.00 C ATOM 532 C GLY A 33 -16.116 -4.295 -1.831 1.00 0.00 C ATOM 533 O GLY A 33 -15.201 -3.678 -2.380 1.00 0.00 O ATOM 0 H GLY A 33 -14.130 -6.205 -0.532 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.589 -6.341 -2.230 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.929 -6.152 -1.116 1.00 0.00 H new ATOM 537 N ASP A 34 -17.323 -3.781 -1.648 1.00 0.00 N ATOM 538 CA ASP A 34 -17.703 -2.399 -1.895 1.00 0.00 C ATOM 539 C ASP A 34 -16.958 -1.496 -0.919 1.00 0.00 C ATOM 540 O ASP A 34 -17.375 -1.297 0.223 1.00 0.00 O ATOM 541 CB ASP A 34 -19.220 -2.211 -1.748 1.00 0.00 C ATOM 542 CG ASP A 34 -20.002 -2.722 -2.951 1.00 0.00 C ATOM 543 OD1 ASP A 34 -20.153 -3.964 -3.082 1.00 0.00 O ATOM 544 OD2 ASP A 34 -20.486 -1.882 -3.742 1.00 0.00 O ATOM 0 H ASP A 34 -18.102 -4.344 -1.307 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.435 -2.133 -2.918 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -19.560 -2.732 -0.853 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -19.437 -1.153 -1.603 1.00 0.00 H new ATOM 549 N VAL A 35 -15.835 -0.936 -1.362 1.00 0.00 N ATOM 550 CA VAL A 35 -15.255 0.212 -0.683 1.00 0.00 C ATOM 551 C VAL A 35 -16.052 1.459 -1.105 1.00 0.00 C ATOM 552 O VAL A 35 -17.086 1.385 -1.772 1.00 0.00 O ATOM 553 CB VAL A 35 -13.723 0.283 -0.871 1.00 0.00 C ATOM 554 CG1 VAL A 35 -13.044 1.215 0.155 1.00 0.00 C ATOM 555 CG2 VAL A 35 -13.086 -1.097 -0.659 1.00 0.00 C ATOM 0 H VAL A 35 -15.316 -1.256 -2.179 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.349 0.128 0.400 1.00 0.00 H new ATOM 0 HB VAL A 35 -13.573 0.657 -1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.969 1.229 -0.022 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.442 2.224 0.049 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.241 0.851 1.163 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.007 -1.025 -0.796 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.301 -1.446 0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.497 -1.802 -1.381 1.00 0.00 H new ATOM 565 N VAL A 36 -15.629 2.601 -0.588 1.00 0.00 N ATOM 566 CA VAL A 36 -16.451 3.739 -0.226 1.00 0.00 C ATOM 567 C VAL A 36 -15.537 4.919 0.073 1.00 0.00 C ATOM 568 O VAL A 36 -15.888 6.059 -0.215 1.00 0.00 O ATOM 569 CB VAL A 36 -17.281 3.344 1.010 1.00 0.00 C ATOM 570 CG1 VAL A 36 -16.563 3.433 2.352 1.00 0.00 C ATOM 571 CG2 VAL A 36 -18.621 4.078 1.075 1.00 0.00 C ATOM 0 H VAL A 36 -14.640 2.766 -0.399 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.127 4.025 -1.032 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.460 2.281 0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -17.243 3.132 3.149 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -15.696 2.772 2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -16.236 4.459 2.522 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -19.166 3.763 1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -18.445 5.153 1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -19.208 3.842 0.188 1.00 0.00 H new ATOM 581 N TYR A 37 -14.359 4.612 0.636 1.00 0.00 N ATOM 582 CA TYR A 37 -13.394 5.619 1.048 1.00 0.00 C ATOM 583 C TYR A 37 -12.031 4.986 1.340 1.00 0.00 C ATOM 584 O TYR A 37 -11.966 3.807 1.695 1.00 0.00 O ATOM 585 CB TYR A 37 -13.933 6.250 2.335 1.00 0.00 C ATOM 586 CG TYR A 37 -13.085 7.390 2.853 1.00 0.00 C ATOM 587 CD1 TYR A 37 -12.834 8.511 2.039 1.00 0.00 C ATOM 588 CD2 TYR A 37 -12.492 7.294 4.127 1.00 0.00 C ATOM 589 CE1 TYR A 37 -11.979 9.528 2.493 1.00 0.00 C ATOM 590 CE2 TYR A 37 -11.649 8.315 4.592 1.00 0.00 C ATOM 591 CZ TYR A 37 -11.384 9.436 3.773 1.00 0.00 C ATOM 592 OH TYR A 37 -10.561 10.426 4.214 1.00 0.00 O ATOM 0 H TYR A 37 -14.057 3.654 0.815 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.261 6.355 0.255 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -14.945 6.614 2.155 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.003 5.481 3.105 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -13.298 8.589 1.067 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -12.687 6.432 4.748 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -11.775 10.382 1.864 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.204 8.244 5.573 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.238 10.207 5.113 1.00 0.00 H new ATOM 602 N VAL A 38 -10.953 5.772 1.281 1.00 0.00 N ATOM 603 CA VAL A 38 -9.686 5.462 1.933 1.00 0.00 C ATOM 604 C VAL A 38 -9.160 6.738 2.551 1.00 0.00 C ATOM 605 O VAL A 38 -9.367 7.828 2.020 1.00 0.00 O ATOM 606 CB VAL A 38 -8.662 4.763 0.998 1.00 0.00 C ATOM 607 CG1 VAL A 38 -9.309 3.791 -0.002 1.00 0.00 C ATOM 608 CG2 VAL A 38 -7.748 5.711 0.201 1.00 0.00 C ATOM 0 H VAL A 38 -10.940 6.655 0.770 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.855 4.722 2.715 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.048 4.215 1.713 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.535 3.339 -0.623 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.840 3.010 0.542 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.011 4.334 -0.635 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.070 5.126 -0.421 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.357 6.356 -0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.169 6.324 0.892 1.00 0.00 H new ATOM 618 N ASP A 39 -8.479 6.573 3.676 1.00 0.00 N ATOM 619 CA ASP A 39 -7.794 7.634 4.368 1.00 0.00 C ATOM 620 C ASP A 39 -6.362 7.716 3.864 1.00 0.00 C ATOM 621 O ASP A 39 -5.787 6.698 3.473 1.00 0.00 O ATOM 622 CB ASP A 39 -7.812 7.341 5.877 1.00 0.00 C ATOM 623 CG ASP A 39 -6.862 8.250 6.647 1.00 0.00 C ATOM 624 OD1 ASP A 39 -7.031 9.488 6.581 1.00 0.00 O ATOM 625 OD2 ASP A 39 -5.910 7.714 7.263 1.00 0.00 O ATOM 0 H ASP A 39 -8.391 5.668 4.139 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.290 8.587 4.183 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.825 7.469 6.259 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.536 6.300 6.047 1.00 0.00 H new ATOM 630 N LEU A 40 -5.794 8.923 3.849 1.00 0.00 N ATOM 631 CA LEU A 40 -4.494 9.199 3.264 1.00 0.00 C ATOM 632 C LEU A 40 -3.675 10.132 4.155 1.00 0.00 C ATOM 633 O LEU A 40 -4.210 11.090 4.722 1.00 0.00 O ATOM 634 CB LEU A 40 -4.644 9.856 1.882 1.00 0.00 C ATOM 635 CG LEU A 40 -5.062 8.945 0.718 1.00 0.00 C ATOM 636 CD1 LEU A 40 -4.228 7.655 0.677 1.00 0.00 C ATOM 637 CD2 LEU A 40 -6.569 8.797 0.568 1.00 0.00 C ATOM 0 H LEU A 40 -6.239 9.748 4.253 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.979 8.243 3.166 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.378 10.657 1.966 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.693 10.321 1.623 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.804 9.451 -0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.554 7.037 -0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.175 7.907 0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.363 7.105 1.608 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.788 8.140 -0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.985 8.369 1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.015 9.776 0.390 1.00 0.00 H new ATOM 649 N PRO A 41 -2.355 9.910 4.231 1.00 0.00 N ATOM 650 CA PRO A 41 -1.447 10.781 4.953 1.00 0.00 C ATOM 651 C PRO A 41 -1.110 12.026 4.132 1.00 0.00 C ATOM 652 O PRO A 41 -1.508 12.158 2.977 1.00 0.00 O ATOM 653 CB PRO A 41 -0.217 9.923 5.201 1.00 0.00 C ATOM 654 CG PRO A 41 -0.187 8.949 4.018 1.00 0.00 C ATOM 655 CD PRO A 41 -1.618 8.878 3.518 1.00 0.00 C ATOM 0 HA PRO A 41 -1.877 11.155 5.882 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.689 10.528 5.240 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.287 9.393 6.151 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.485 9.301 3.236 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.170 7.967 4.327 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.662 9.043 2.442 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.047 7.894 3.707 1.00 0.00 H new ATOM 663 N GLU A 42 -0.358 12.947 4.728 1.00 0.00 N ATOM 664 CA GLU A 42 -0.006 14.217 4.108 1.00 0.00 C ATOM 665 C GLU A 42 1.272 14.062 3.280 1.00 0.00 C ATOM 666 O GLU A 42 2.178 13.341 3.691 1.00 0.00 O ATOM 667 CB GLU A 42 0.226 15.235 5.225 1.00 0.00 C ATOM 668 CG GLU A 42 0.209 16.670 4.693 1.00 0.00 C ATOM 669 CD GLU A 42 0.715 17.677 5.725 1.00 0.00 C ATOM 670 OE1 GLU A 42 0.758 17.349 6.936 1.00 0.00 O ATOM 671 OE2 GLU A 42 1.028 18.831 5.338 1.00 0.00 O ATOM 0 H GLU A 42 0.027 12.830 5.665 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.807 14.548 3.447 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.544 15.120 5.988 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.184 15.036 5.706 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.826 16.730 3.797 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.807 16.934 4.399 1.00 0.00 H new ATOM 678 N VAL A 43 1.391 14.814 2.184 1.00 0.00 N ATOM 679 CA VAL A 43 2.404 14.773 1.120 1.00 0.00 C ATOM 680 C VAL A 43 3.855 15.150 1.531 1.00 0.00 C ATOM 681 O VAL A 43 4.706 15.467 0.697 1.00 0.00 O ATOM 682 CB VAL A 43 1.812 15.623 -0.040 1.00 0.00 C ATOM 683 CG1 VAL A 43 2.346 17.058 -0.087 1.00 0.00 C ATOM 684 CG2 VAL A 43 2.023 14.979 -1.403 1.00 0.00 C ATOM 0 H VAL A 43 0.707 15.547 1.997 1.00 0.00 H new ATOM 0 HA VAL A 43 2.576 13.741 0.814 1.00 0.00 H new ATOM 0 HB VAL A 43 0.745 15.663 0.181 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.888 17.589 -0.921 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.102 17.568 0.845 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.428 17.039 -0.218 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.591 15.614 -2.176 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.091 14.859 -1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.539 14.003 -1.423 1.00 0.00 H new ATOM 694 N GLY A 44 4.144 15.148 2.824 1.00 0.00 N ATOM 695 CA GLY A 44 5.465 15.370 3.400 1.00 0.00 C ATOM 696 C GLY A 44 5.687 14.612 4.709 1.00 0.00 C ATOM 697 O GLY A 44 6.690 14.841 5.387 1.00 0.00 O ATOM 0 H GLY A 44 3.431 14.984 3.535 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.224 15.067 2.679 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.602 16.437 3.578 1.00 0.00 H new ATOM 701 N ARG A 45 4.752 13.751 5.123 1.00 0.00 N ATOM 702 CA ARG A 45 4.798 13.126 6.445 1.00 0.00 C ATOM 703 C ARG A 45 5.838 12.004 6.471 1.00 0.00 C ATOM 704 O ARG A 45 5.871 11.202 5.543 1.00 0.00 O ATOM 705 CB ARG A 45 3.384 12.627 6.770 1.00 0.00 C ATOM 706 CG ARG A 45 3.229 12.210 8.233 1.00 0.00 C ATOM 707 CD ARG A 45 1.746 12.011 8.548 1.00 0.00 C ATOM 708 NE ARG A 45 1.556 11.634 9.953 1.00 0.00 N ATOM 709 CZ ARG A 45 0.916 12.321 10.908 1.00 0.00 C ATOM 710 NH1 ARG A 45 0.350 13.507 10.691 1.00 0.00 N ATOM 711 NH2 ARG A 45 0.867 11.786 12.117 1.00 0.00 N ATOM 0 H ARG A 45 3.951 13.471 4.557 1.00 0.00 H new ATOM 0 HA ARG A 45 5.107 13.840 7.208 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.664 13.413 6.542 1.00 0.00 H new ATOM 0 HB3 ARG A 45 3.145 11.780 6.127 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.779 11.288 8.420 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.652 12.972 8.887 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.199 12.930 8.336 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.333 11.237 7.901 1.00 0.00 H new ATOM 0 HE ARG A 45 1.960 10.741 10.237 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.393 13.931 9.764 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.127 13.991 11.452 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.307 10.883 12.293 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.389 12.277 12.873 1.00 0.00 H new ATOM 725 N GLU A 46 6.675 11.883 7.506 1.00 0.00 N ATOM 726 CA GLU A 46 7.488 10.680 7.689 1.00 0.00 C ATOM 727 C GLU A 46 6.614 9.578 8.270 1.00 0.00 C ATOM 728 O GLU A 46 5.775 9.860 9.128 1.00 0.00 O ATOM 729 CB GLU A 46 8.662 10.950 8.634 1.00 0.00 C ATOM 730 CG GLU A 46 9.843 11.564 7.882 1.00 0.00 C ATOM 731 CD GLU A 46 11.008 11.901 8.803 1.00 0.00 C ATOM 732 OE1 GLU A 46 11.387 11.060 9.655 1.00 0.00 O ATOM 733 OE2 GLU A 46 11.519 13.040 8.673 1.00 0.00 O ATOM 0 H GLU A 46 6.806 12.597 8.223 1.00 0.00 H new ATOM 0 HA GLU A 46 7.890 10.377 6.722 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.344 11.623 9.431 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.973 10.019 9.108 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.181 10.869 7.113 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.514 12.469 7.372 1.00 0.00 H new ATOM 740 N VAL A 47 6.834 8.334 7.849 1.00 0.00 N ATOM 741 CA VAL A 47 6.087 7.163 8.289 1.00 0.00 C ATOM 742 C VAL A 47 7.079 6.043 8.613 1.00 0.00 C ATOM 743 O VAL A 47 8.298 6.249 8.589 1.00 0.00 O ATOM 744 CB VAL A 47 4.999 6.796 7.253 1.00 0.00 C ATOM 745 CG1 VAL A 47 4.106 8.016 6.959 1.00 0.00 C ATOM 746 CG2 VAL A 47 5.556 6.255 5.926 1.00 0.00 C ATOM 0 H VAL A 47 7.561 8.109 7.170 1.00 0.00 H new ATOM 0 HA VAL A 47 5.535 7.363 9.207 1.00 0.00 H new ATOM 0 HB VAL A 47 4.422 5.992 7.709 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.345 7.742 6.228 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.623 8.344 7.880 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.717 8.826 6.561 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.731 6.021 5.253 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.196 7.008 5.466 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.136 5.352 6.116 1.00 0.00 H new ATOM 756 N LYS A 48 6.583 4.864 8.978 1.00 0.00 N ATOM 757 CA LYS A 48 7.372 3.731 9.435 1.00 0.00 C ATOM 758 C LYS A 48 6.922 2.496 8.683 1.00 0.00 C ATOM 759 O LYS A 48 5.788 2.464 8.217 1.00 0.00 O ATOM 760 CB LYS A 48 7.166 3.585 10.943 1.00 0.00 C ATOM 761 CG LYS A 48 7.894 4.739 11.648 1.00 0.00 C ATOM 762 CD LYS A 48 7.883 4.653 13.175 1.00 0.00 C ATOM 763 CE LYS A 48 9.313 4.493 13.702 1.00 0.00 C ATOM 764 NZ LYS A 48 9.808 3.116 13.540 1.00 0.00 N ATOM 0 H LYS A 48 5.582 4.667 8.962 1.00 0.00 H new ATOM 0 HA LYS A 48 8.435 3.875 9.244 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.103 3.604 11.184 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.553 2.626 11.287 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.928 4.764 11.305 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.435 5.681 11.346 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.431 5.551 13.595 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.272 3.809 13.495 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.973 5.180 13.174 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.344 4.768 14.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.778 3.050 13.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.193 2.462 14.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.803 2.862 12.532 1.00 0.00 H new ATOM 778 N LYS A 49 7.748 1.449 8.651 1.00 0.00 N ATOM 779 CA LYS A 49 7.458 0.198 7.937 1.00 0.00 C ATOM 780 C LYS A 49 6.317 -0.631 8.526 1.00 0.00 C ATOM 781 O LYS A 49 6.112 -1.779 8.132 1.00 0.00 O ATOM 782 CB LYS A 49 8.761 -0.604 7.755 1.00 0.00 C ATOM 783 CG LYS A 49 9.394 -1.259 8.996 1.00 0.00 C ATOM 784 CD LYS A 49 8.802 -2.633 9.356 1.00 0.00 C ATOM 785 CE LYS A 49 9.650 -3.404 10.371 1.00 0.00 C ATOM 786 NZ LYS A 49 10.966 -3.788 9.826 1.00 0.00 N ATOM 0 H LYS A 49 8.651 1.443 9.126 1.00 0.00 H new ATOM 0 HA LYS A 49 7.072 0.474 6.956 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.568 -1.391 7.026 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.503 0.063 7.316 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.465 -1.370 8.828 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.273 -0.590 9.848 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.799 -2.495 9.759 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.702 -3.228 8.448 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.793 -2.791 11.261 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.113 -4.300 10.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.397 -4.511 10.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.846 -4.172 8.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.584 -2.952 9.790 1.00 0.00 H new ATOM 800 N GLY A 50 5.583 -0.056 9.464 1.00 0.00 N ATOM 801 CA GLY A 50 4.262 -0.448 9.887 1.00 0.00 C ATOM 802 C GLY A 50 3.704 0.751 10.638 1.00 0.00 C ATOM 803 O GLY A 50 4.161 1.032 11.746 1.00 0.00 O ATOM 0 H GLY A 50 5.925 0.753 9.982 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.635 -0.702 9.032 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.300 -1.329 10.527 1.00 0.00 H new ATOM 807 N GLU A 51 2.822 1.521 10.004 1.00 0.00 N ATOM 808 CA GLU A 51 2.227 2.750 10.522 1.00 0.00 C ATOM 809 C GLU A 51 0.837 2.884 9.881 1.00 0.00 C ATOM 810 O GLU A 51 0.760 2.729 8.669 1.00 0.00 O ATOM 811 CB GLU A 51 3.135 3.918 10.090 1.00 0.00 C ATOM 812 CG GLU A 51 3.023 5.140 10.999 1.00 0.00 C ATOM 813 CD GLU A 51 3.944 5.025 12.208 1.00 0.00 C ATOM 814 OE1 GLU A 51 3.580 4.322 13.175 1.00 0.00 O ATOM 815 OE2 GLU A 51 5.001 5.688 12.204 1.00 0.00 O ATOM 0 H GLU A 51 2.487 1.293 9.068 1.00 0.00 H new ATOM 0 HA GLU A 51 2.132 2.746 11.608 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.171 3.578 10.076 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.881 4.208 9.070 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.273 6.038 10.435 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.992 5.251 11.335 1.00 0.00 H new ATOM 822 N VAL A 52 -0.237 3.156 10.632 1.00 0.00 N ATOM 823 CA VAL A 52 -1.658 3.098 10.206 1.00 0.00 C ATOM 824 C VAL A 52 -2.071 4.209 9.203 1.00 0.00 C ATOM 825 O VAL A 52 -3.246 4.490 8.973 1.00 0.00 O ATOM 826 CB VAL A 52 -2.538 3.042 11.483 1.00 0.00 C ATOM 827 CG1 VAL A 52 -4.042 3.222 11.262 1.00 0.00 C ATOM 828 CG2 VAL A 52 -2.244 1.764 12.283 1.00 0.00 C ATOM 0 H VAL A 52 -0.143 3.439 11.608 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.815 2.192 9.621 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.248 3.920 12.061 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.560 3.165 12.219 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.229 4.194 10.805 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.410 2.435 10.604 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.870 1.741 13.175 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.459 0.891 11.666 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.194 1.752 12.576 1.00 0.00 H new ATOM 838 N VAL A 53 -1.112 4.867 8.572 1.00 0.00 N ATOM 839 CA VAL A 53 -1.246 6.132 7.861 1.00 0.00 C ATOM 840 C VAL A 53 -2.194 6.115 6.653 1.00 0.00 C ATOM 841 O VAL A 53 -2.333 7.149 6.001 1.00 0.00 O ATOM 842 CB VAL A 53 0.164 6.597 7.452 1.00 0.00 C ATOM 843 CG1 VAL A 53 1.044 6.790 8.689 1.00 0.00 C ATOM 844 CG2 VAL A 53 0.837 5.612 6.487 1.00 0.00 C ATOM 0 H VAL A 53 -0.157 4.510 8.540 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.720 6.834 8.547 1.00 0.00 H new ATOM 0 HB VAL A 53 0.050 7.549 6.934 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.037 7.119 8.382 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.598 7.543 9.339 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.125 5.846 9.229 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.829 5.980 6.225 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.926 4.637 6.966 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.234 5.519 5.584 1.00 0.00 H new ATOM 854 N ALA A 54 -2.822 4.987 6.323 1.00 0.00 N ATOM 855 CA ALA A 54 -3.714 4.856 5.182 1.00 0.00 C ATOM 856 C ALA A 54 -4.866 3.943 5.576 1.00 0.00 C ATOM 857 O ALA A 54 -5.037 2.854 5.031 1.00 0.00 O ATOM 858 CB ALA A 54 -2.932 4.358 3.963 1.00 0.00 C ATOM 0 H ALA A 54 -2.720 4.123 6.856 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.137 5.819 4.896 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.607 4.262 3.112 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.142 5.070 3.722 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.490 3.387 4.186 1.00 0.00 H new ATOM 864 N SER A 55 -5.611 4.351 6.597 1.00 0.00 N ATOM 865 CA SER A 55 -6.790 3.636 7.047 1.00 0.00 C ATOM 866 C SER A 55 -7.812 3.465 5.906 1.00 0.00 C ATOM 867 O SER A 55 -7.757 4.117 4.863 1.00 0.00 O ATOM 868 CB SER A 55 -7.345 4.391 8.257 1.00 0.00 C ATOM 869 OG SER A 55 -6.449 4.276 9.354 1.00 0.00 O ATOM 0 H SER A 55 -5.409 5.193 7.136 1.00 0.00 H new ATOM 0 HA SER A 55 -6.543 2.618 7.349 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.491 5.441 8.005 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.321 3.990 8.530 1.00 0.00 H new ATOM 0 HG SER A 55 -6.810 4.763 10.124 1.00 0.00 H new ATOM 875 N ILE A 56 -8.753 2.547 6.087 1.00 0.00 N ATOM 876 CA ILE A 56 -9.748 2.185 5.090 1.00 0.00 C ATOM 877 C ILE A 56 -11.077 2.172 5.828 1.00 0.00 C ATOM 878 O ILE A 56 -11.130 1.724 6.980 1.00 0.00 O ATOM 879 CB ILE A 56 -9.420 0.803 4.458 1.00 0.00 C ATOM 880 CG1 ILE A 56 -7.989 0.735 3.884 1.00 0.00 C ATOM 881 CG2 ILE A 56 -10.498 0.441 3.416 1.00 0.00 C ATOM 882 CD1 ILE A 56 -7.545 -0.631 3.324 1.00 0.00 C ATOM 0 H ILE A 56 -8.846 2.020 6.956 1.00 0.00 H new ATOM 0 HA ILE A 56 -9.771 2.890 4.259 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.441 0.052 5.247 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.903 1.476 3.089 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.291 1.027 4.668 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -10.266 -0.528 2.974 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -11.473 0.394 3.902 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -10.518 1.201 2.634 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.524 -0.556 2.949 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.587 -1.380 4.115 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -8.209 -0.924 2.511 1.00 0.00 H new ATOM 894 N GLU A 57 -12.145 2.580 5.150 1.00 0.00 N ATOM 895 CA GLU A 57 -13.505 2.197 5.463 1.00 0.00 C ATOM 896 C GLU A 57 -14.094 1.532 4.225 1.00 0.00 C ATOM 897 O GLU A 57 -13.521 1.572 3.144 1.00 0.00 O ATOM 898 CB GLU A 57 -14.314 3.399 5.984 1.00 0.00 C ATOM 899 CG GLU A 57 -14.158 3.397 7.505 1.00 0.00 C ATOM 900 CD GLU A 57 -14.982 4.449 8.235 1.00 0.00 C ATOM 901 OE1 GLU A 57 -14.537 5.613 8.309 1.00 0.00 O ATOM 902 OE2 GLU A 57 -15.953 4.055 8.928 1.00 0.00 O ATOM 0 H GLU A 57 -12.079 3.204 4.346 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.538 1.476 6.280 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -13.944 4.331 5.557 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.363 3.313 5.701 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -14.435 2.413 7.883 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.106 3.547 7.748 1.00 0.00 H new ATOM 909 N SER A 58 -15.215 0.858 4.385 1.00 0.00 N ATOM 910 CA SER A 58 -16.049 0.299 3.344 1.00 0.00 C ATOM 911 C SER A 58 -17.483 0.567 3.793 1.00 0.00 C ATOM 912 O SER A 58 -17.718 1.177 4.840 1.00 0.00 O ATOM 913 CB SER A 58 -15.715 -1.178 3.118 1.00 0.00 C ATOM 914 OG SER A 58 -15.860 -1.899 4.314 1.00 0.00 O ATOM 0 H SER A 58 -15.593 0.674 5.314 1.00 0.00 H new ATOM 0 HA SER A 58 -15.886 0.753 2.367 1.00 0.00 H new ATOM 0 HB2 SER A 58 -16.371 -1.593 2.353 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.694 -1.275 2.749 1.00 0.00 H new ATOM 0 HG SER A 58 -15.474 -1.386 5.054 1.00 0.00 H new ATOM 920 N VAL A 59 -18.452 0.100 3.023 1.00 0.00 N ATOM 921 CA VAL A 59 -19.875 0.254 3.271 1.00 0.00 C ATOM 922 C VAL A 59 -20.264 -0.182 4.686 1.00 0.00 C ATOM 923 O VAL A 59 -21.287 0.291 5.193 1.00 0.00 O ATOM 924 CB VAL A 59 -20.643 -0.544 2.199 1.00 0.00 C ATOM 925 CG1 VAL A 59 -20.490 0.106 0.818 1.00 0.00 C ATOM 926 CG2 VAL A 59 -20.136 -1.990 2.114 1.00 0.00 C ATOM 0 H VAL A 59 -18.258 -0.421 2.168 1.00 0.00 H new ATOM 0 HA VAL A 59 -20.139 1.309 3.204 1.00 0.00 H new ATOM 0 HB VAL A 59 -21.693 -0.543 2.493 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -21.041 -0.476 0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -20.885 1.122 0.848 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -19.435 0.135 0.544 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -20.697 -2.528 1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -19.077 -1.990 1.855 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -20.273 -2.481 3.077 1.00 0.00 H new ATOM 936 N LYS A 60 -19.475 -1.057 5.332 1.00 0.00 N ATOM 937 CA LYS A 60 -19.731 -1.497 6.695 1.00 0.00 C ATOM 938 C LYS A 60 -18.506 -2.040 7.454 1.00 0.00 C ATOM 939 O LYS A 60 -18.696 -2.717 8.465 1.00 0.00 O ATOM 940 CB LYS A 60 -20.879 -2.526 6.663 1.00 0.00 C ATOM 941 CG LYS A 60 -20.454 -3.834 5.978 1.00 0.00 C ATOM 942 CD LYS A 60 -21.579 -4.574 5.247 1.00 0.00 C ATOM 943 CE LYS A 60 -22.560 -5.325 6.153 1.00 0.00 C ATOM 944 NZ LYS A 60 -23.360 -4.430 7.009 1.00 0.00 N ATOM 0 H LYS A 60 -18.643 -1.474 4.915 1.00 0.00 H new ATOM 0 HA LYS A 60 -20.011 -0.613 7.268 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -21.205 -2.738 7.681 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -21.734 -2.101 6.136 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -19.661 -3.612 5.264 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -20.029 -4.500 6.730 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -22.139 -3.854 4.650 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -21.133 -5.286 4.552 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -23.231 -5.922 5.535 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -22.004 -6.019 6.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -24.236 -4.913 7.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -22.812 -4.178 7.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -23.598 -3.566 6.481 1.00 0.00 H new ATOM 958 N ALA A 61 -17.269 -1.846 6.985 1.00 0.00 N ATOM 959 CA ALA A 61 -16.059 -2.399 7.611 1.00 0.00 C ATOM 960 C ALA A 61 -14.939 -1.364 7.588 1.00 0.00 C ATOM 961 O ALA A 61 -15.013 -0.421 6.804 1.00 0.00 O ATOM 962 CB ALA A 61 -15.583 -3.652 6.859 1.00 0.00 C ATOM 0 H ALA A 61 -17.075 -1.294 6.150 1.00 0.00 H new ATOM 0 HA ALA A 61 -16.304 -2.664 8.640 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -14.687 -4.045 7.338 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.367 -4.409 6.880 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -15.357 -3.392 5.825 1.00 0.00 H new ATOM 968 N ALA A 62 -13.845 -1.606 8.311 1.00 0.00 N ATOM 969 CA ALA A 62 -12.628 -0.802 8.233 1.00 0.00 C ATOM 970 C ALA A 62 -11.378 -1.689 8.210 1.00 0.00 C ATOM 971 O ALA A 62 -11.459 -2.882 8.524 1.00 0.00 O ATOM 972 CB ALA A 62 -12.608 0.186 9.403 1.00 0.00 C ATOM 0 H ALA A 62 -13.780 -2.377 8.976 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.623 -0.239 7.300 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.703 0.791 9.353 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -13.482 0.835 9.346 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.625 -0.364 10.344 1.00 0.00 H new ATOM 978 N ALA A 63 -10.229 -1.121 7.834 1.00 0.00 N ATOM 979 CA ALA A 63 -8.921 -1.771 7.888 1.00 0.00 C ATOM 980 C ALA A 63 -7.815 -0.716 8.026 1.00 0.00 C ATOM 981 O ALA A 63 -7.665 0.113 7.137 1.00 0.00 O ATOM 982 CB ALA A 63 -8.707 -2.630 6.636 1.00 0.00 C ATOM 0 H ALA A 63 -10.184 -0.168 7.473 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.881 -2.424 8.760 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.730 -3.110 6.687 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.483 -3.393 6.581 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.756 -1.999 5.749 1.00 0.00 H new ATOM 988 N ASP A 64 -7.033 -0.727 9.108 1.00 0.00 N ATOM 989 CA ASP A 64 -5.795 0.049 9.237 1.00 0.00 C ATOM 990 C ASP A 64 -4.793 -0.556 8.244 1.00 0.00 C ATOM 991 O ASP A 64 -4.461 -1.739 8.392 1.00 0.00 O ATOM 992 CB ASP A 64 -5.202 -0.083 10.672 1.00 0.00 C ATOM 993 CG ASP A 64 -6.170 -0.132 11.862 1.00 0.00 C ATOM 994 OD1 ASP A 64 -6.880 -1.159 12.019 1.00 0.00 O ATOM 995 OD2 ASP A 64 -6.088 0.727 12.771 1.00 0.00 O ATOM 0 H ASP A 64 -7.245 -1.285 9.935 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.993 1.103 9.042 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.597 -0.990 10.699 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.525 0.757 10.830 1.00 0.00 H new ATOM 1000 N VAL A 65 -4.316 0.175 7.228 1.00 0.00 N ATOM 1001 CA VAL A 65 -3.167 -0.281 6.436 1.00 0.00 C ATOM 1002 C VAL A 65 -1.909 0.105 7.212 1.00 0.00 C ATOM 1003 O VAL A 65 -1.704 1.290 7.471 1.00 0.00 O ATOM 1004 CB VAL A 65 -3.135 0.367 5.043 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -1.894 -0.041 4.229 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -4.365 -0.026 4.220 1.00 0.00 C ATOM 0 H VAL A 65 -4.702 1.073 6.938 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.234 -1.358 6.282 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.115 1.442 5.225 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.922 0.445 3.254 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.993 0.265 4.761 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.886 -1.123 4.095 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.314 0.448 3.240 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.391 -1.109 4.099 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.268 0.303 4.735 1.00 0.00 H new ATOM 1016 N TYR A 66 -1.055 -0.858 7.569 1.00 0.00 N ATOM 1017 CA TYR A 66 0.246 -0.538 8.141 1.00 0.00 C ATOM 1018 C TYR A 66 1.272 -0.380 7.020 1.00 0.00 C ATOM 1019 O TYR A 66 1.678 -1.380 6.424 1.00 0.00 O ATOM 1020 CB TYR A 66 0.725 -1.586 9.144 1.00 0.00 C ATOM 1021 CG TYR A 66 -0.274 -1.983 10.205 1.00 0.00 C ATOM 1022 CD1 TYR A 66 -0.424 -1.237 11.389 1.00 0.00 C ATOM 1023 CD2 TYR A 66 -1.022 -3.155 10.018 1.00 0.00 C ATOM 1024 CE1 TYR A 66 -1.300 -1.696 12.392 1.00 0.00 C ATOM 1025 CE2 TYR A 66 -1.901 -3.613 10.999 1.00 0.00 C ATOM 1026 CZ TYR A 66 -2.042 -2.886 12.200 1.00 0.00 C ATOM 1027 OH TYR A 66 -2.834 -3.368 13.195 1.00 0.00 O ATOM 0 H TYR A 66 -1.243 -1.856 7.471 1.00 0.00 H new ATOM 0 HA TYR A 66 0.139 0.398 8.689 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.018 -2.481 8.595 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.620 -1.207 9.638 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.128 -0.319 11.527 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.915 -3.712 9.099 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.406 -1.138 13.311 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.470 -4.517 10.841 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.272 -4.192 12.894 1.00 0.00 H new ATOM 1037 N ALA A 67 1.726 0.861 6.827 1.00 0.00 N ATOM 1038 CA ALA A 67 2.687 1.324 5.828 1.00 0.00 C ATOM 1039 C ALA A 67 3.891 0.403 5.631 1.00 0.00 C ATOM 1040 O ALA A 67 4.280 -0.294 6.569 1.00 0.00 O ATOM 1041 CB ALA A 67 3.230 2.692 6.254 1.00 0.00 C ATOM 0 H ALA A 67 1.403 1.629 7.415 1.00 0.00 H new ATOM 0 HA ALA A 67 2.139 1.354 4.886 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.948 3.045 5.514 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.407 3.403 6.329 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.722 2.603 7.223 1.00 0.00 H new ATOM 1047 N PRO A 68 4.566 0.449 4.469 1.00 0.00 N ATOM 1048 CA PRO A 68 5.474 -0.627 4.114 1.00 0.00 C ATOM 1049 C PRO A 68 6.952 -0.395 4.433 1.00 0.00 C ATOM 1050 O PRO A 68 7.648 -1.365 4.712 1.00 0.00 O ATOM 1051 CB PRO A 68 5.269 -0.798 2.617 1.00 0.00 C ATOM 1052 CG PRO A 68 5.045 0.638 2.144 1.00 0.00 C ATOM 1053 CD PRO A 68 4.225 1.236 3.285 1.00 0.00 C ATOM 0 HA PRO A 68 5.242 -1.507 4.713 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.137 -1.252 2.138 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.413 -1.436 2.395 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.986 1.169 1.998 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.508 0.674 1.196 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.466 2.289 3.431 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.158 1.180 3.072 1.00 0.00 H new ATOM 1061 N LEU A 69 7.458 0.840 4.358 1.00 0.00 N ATOM 1062 CA LEU A 69 8.847 1.208 4.628 1.00 0.00 C ATOM 1063 C LEU A 69 8.832 2.492 5.472 1.00 0.00 C ATOM 1064 O LEU A 69 7.788 3.136 5.615 1.00 0.00 O ATOM 1065 CB LEU A 69 9.643 1.435 3.329 1.00 0.00 C ATOM 1066 CG LEU A 69 10.026 0.259 2.418 1.00 0.00 C ATOM 1067 CD1 LEU A 69 10.831 -0.842 3.128 1.00 0.00 C ATOM 1068 CD2 LEU A 69 8.861 -0.316 1.618 1.00 0.00 C ATOM 0 H LEU A 69 6.885 1.642 4.096 1.00 0.00 H new ATOM 0 HA LEU A 69 9.340 0.395 5.161 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.069 2.135 2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.569 1.938 3.606 1.00 0.00 H new ATOM 0 HG LEU A 69 10.699 0.709 1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.063 -1.637 2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.758 -0.421 3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.243 -1.249 3.951 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.216 -1.142 1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.093 -0.678 2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.440 0.460 0.979 1.00 0.00 H new ATOM 1080 N SER A 70 9.982 2.894 6.011 1.00 0.00 N ATOM 1081 CA SER A 70 10.117 3.987 6.965 1.00 0.00 C ATOM 1082 C SER A 70 10.623 5.265 6.295 1.00 0.00 C ATOM 1083 O SER A 70 11.725 5.757 6.554 1.00 0.00 O ATOM 1084 CB SER A 70 11.051 3.539 8.074 1.00 0.00 C ATOM 1085 OG SER A 70 10.616 2.323 8.673 1.00 0.00 O ATOM 0 H SER A 70 10.873 2.451 5.786 1.00 0.00 H new ATOM 0 HA SER A 70 9.138 4.227 7.380 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.056 3.407 7.672 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.112 4.317 8.835 1.00 0.00 H new ATOM 0 HG SER A 70 11.242 2.065 9.381 1.00 0.00 H new ATOM 1091 N GLY A 71 9.777 5.779 5.418 1.00 0.00 N ATOM 1092 CA GLY A 71 10.086 6.790 4.414 1.00 0.00 C ATOM 1093 C GLY A 71 9.199 8.020 4.559 1.00 0.00 C ATOM 1094 O GLY A 71 8.547 8.190 5.591 1.00 0.00 O ATOM 0 H GLY A 71 8.800 5.487 5.384 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.132 7.083 4.503 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.958 6.365 3.419 1.00 0.00 H new ATOM 1098 N LYS A 72 9.166 8.896 3.548 1.00 0.00 N ATOM 1099 CA LYS A 72 8.412 10.155 3.602 1.00 0.00 C ATOM 1100 C LYS A 72 7.358 10.196 2.521 1.00 0.00 C ATOM 1101 O LYS A 72 7.680 10.019 1.359 1.00 0.00 O ATOM 1102 CB LYS A 72 9.345 11.374 3.500 1.00 0.00 C ATOM 1103 CG LYS A 72 8.841 12.466 4.462 1.00 0.00 C ATOM 1104 CD LYS A 72 9.760 13.657 4.773 1.00 0.00 C ATOM 1105 CE LYS A 72 11.220 13.259 5.049 1.00 0.00 C ATOM 1106 NZ LYS A 72 11.878 14.159 6.022 1.00 0.00 N ATOM 0 H LYS A 72 9.662 8.752 2.668 1.00 0.00 H new ATOM 0 HA LYS A 72 7.913 10.200 4.570 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.366 11.090 3.753 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.363 11.751 2.477 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.912 12.863 4.053 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.593 11.984 5.408 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.735 14.352 3.934 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.368 14.190 5.640 1.00 0.00 H new ATOM 0 HE2 LYS A 72 11.249 12.237 5.427 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.779 13.269 4.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.890 14.234 5.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.442 15.102 5.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.765 13.775 6.982 1.00 0.00 H new ATOM 1120 N ILE A 73 6.100 10.391 2.876 1.00 0.00 N ATOM 1121 CA ILE A 73 5.012 10.507 1.913 1.00 0.00 C ATOM 1122 C ILE A 73 5.320 11.698 1.004 1.00 0.00 C ATOM 1123 O ILE A 73 5.834 12.711 1.477 1.00 0.00 O ATOM 1124 CB ILE A 73 3.679 10.703 2.654 1.00 0.00 C ATOM 1125 CG1 ILE A 73 3.431 9.666 3.767 1.00 0.00 C ATOM 1126 CG2 ILE A 73 2.477 10.739 1.688 1.00 0.00 C ATOM 1127 CD1 ILE A 73 3.649 8.212 3.355 1.00 0.00 C ATOM 0 H ILE A 73 5.800 10.474 3.847 1.00 0.00 H new ATOM 0 HA ILE A 73 4.923 9.602 1.312 1.00 0.00 H new ATOM 0 HB ILE A 73 3.771 11.676 3.137 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.088 9.892 4.607 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.407 9.777 4.125 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.558 10.879 2.256 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.599 11.564 0.986 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.424 9.799 1.138 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.450 7.559 4.205 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.973 7.960 2.538 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.680 8.077 3.028 1.00 0.00 H new ATOM 1139 N VAL A 74 5.006 11.570 -0.285 1.00 0.00 N ATOM 1140 CA VAL A 74 5.200 12.605 -1.297 1.00 0.00 C ATOM 1141 C VAL A 74 4.106 12.553 -2.369 1.00 0.00 C ATOM 1142 O VAL A 74 4.060 13.448 -3.215 1.00 0.00 O ATOM 1143 CB VAL A 74 6.594 12.445 -1.964 1.00 0.00 C ATOM 1144 CG1 VAL A 74 7.734 12.861 -1.032 1.00 0.00 C ATOM 1145 CG2 VAL A 74 6.863 11.021 -2.484 1.00 0.00 C ATOM 0 H VAL A 74 4.597 10.716 -0.664 1.00 0.00 H new ATOM 0 HA VAL A 74 5.142 13.572 -0.798 1.00 0.00 H new ATOM 0 HB VAL A 74 6.566 13.118 -2.821 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.688 12.731 -1.543 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.612 13.907 -0.752 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.716 12.241 -0.136 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.853 10.980 -2.937 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.814 10.316 -1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.112 10.758 -3.229 1.00 0.00 H new ATOM 1155 N GLU A 75 3.201 11.566 -2.345 1.00 0.00 N ATOM 1156 CA GLU A 75 2.004 11.568 -3.174 1.00 0.00 C ATOM 1157 C GLU A 75 0.948 10.677 -2.517 1.00 0.00 C ATOM 1158 O GLU A 75 1.262 9.880 -1.629 1.00 0.00 O ATOM 1159 CB GLU A 75 2.362 11.086 -4.586 1.00 0.00 C ATOM 1160 CG GLU A 75 1.767 11.964 -5.682 1.00 0.00 C ATOM 1161 CD GLU A 75 2.360 11.558 -7.029 1.00 0.00 C ATOM 1162 OE1 GLU A 75 1.860 10.585 -7.638 1.00 0.00 O ATOM 1163 OE2 GLU A 75 3.369 12.167 -7.457 1.00 0.00 O ATOM 0 H GLU A 75 3.285 10.745 -1.746 1.00 0.00 H new ATOM 0 HA GLU A 75 1.595 12.574 -3.262 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.447 11.065 -4.693 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.009 10.063 -4.716 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.682 11.857 -5.702 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.980 13.014 -5.479 1.00 0.00 H new ATOM 1170 N VAL A 76 -0.304 10.817 -2.941 1.00 0.00 N ATOM 1171 CA VAL A 76 -1.498 10.253 -2.318 1.00 0.00 C ATOM 1172 C VAL A 76 -2.490 10.013 -3.470 1.00 0.00 C ATOM 1173 O VAL A 76 -2.487 10.801 -4.417 1.00 0.00 O ATOM 1174 CB VAL A 76 -2.037 11.259 -1.265 1.00 0.00 C ATOM 1175 CG1 VAL A 76 -1.032 11.600 -0.145 1.00 0.00 C ATOM 1176 CG2 VAL A 76 -2.452 12.589 -1.903 1.00 0.00 C ATOM 0 H VAL A 76 -0.526 11.358 -3.777 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.313 9.318 -1.789 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.892 10.740 -0.832 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.486 12.308 0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.762 10.690 0.391 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.137 12.043 -0.582 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.823 13.263 -1.131 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.591 13.041 -2.396 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.238 12.411 -2.637 1.00 0.00 H new ATOM 1186 N ASN A 77 -3.308 8.952 -3.460 1.00 0.00 N ATOM 1187 CA ASN A 77 -4.180 8.681 -4.608 1.00 0.00 C ATOM 1188 C ASN A 77 -5.548 9.286 -4.339 1.00 0.00 C ATOM 1189 O ASN A 77 -6.475 8.587 -3.919 1.00 0.00 O ATOM 1190 CB ASN A 77 -4.275 7.187 -4.958 1.00 0.00 C ATOM 1191 CG ASN A 77 -4.683 6.928 -6.402 1.00 0.00 C ATOM 1192 OD1 ASN A 77 -4.778 7.840 -7.221 1.00 0.00 O ATOM 1193 ND2 ASN A 77 -4.936 5.670 -6.717 1.00 0.00 N ATOM 0 H ASN A 77 -3.384 8.285 -2.692 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.738 9.149 -5.488 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -3.310 6.716 -4.771 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.996 6.711 -4.294 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.221 5.429 -7.666 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -4.847 4.940 -6.011 1.00 0.00 H new ATOM 1200 N GLU A 78 -5.706 10.590 -4.565 1.00 0.00 N ATOM 1201 CA GLU A 78 -6.965 11.281 -4.310 1.00 0.00 C ATOM 1202 C GLU A 78 -8.113 10.780 -5.192 1.00 0.00 C ATOM 1203 O GLU A 78 -9.275 11.072 -4.928 1.00 0.00 O ATOM 1204 CB GLU A 78 -6.788 12.790 -4.487 1.00 0.00 C ATOM 1205 CG GLU A 78 -5.806 13.415 -3.495 1.00 0.00 C ATOM 1206 CD GLU A 78 -6.002 14.930 -3.407 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -5.651 15.629 -4.389 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -6.507 15.434 -2.380 1.00 0.00 O ATOM 0 H GLU A 78 -4.968 11.193 -4.928 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.238 11.060 -3.278 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.442 12.990 -5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.758 13.276 -4.379 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.946 12.969 -2.510 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.784 13.195 -3.802 1.00 0.00 H new ATOM 1215 N LYS A 79 -7.803 9.983 -6.213 1.00 0.00 N ATOM 1216 CA LYS A 79 -8.780 9.252 -7.014 1.00 0.00 C ATOM 1217 C LYS A 79 -9.606 8.291 -6.163 1.00 0.00 C ATOM 1218 O LYS A 79 -10.743 8.005 -6.517 1.00 0.00 O ATOM 1219 CB LYS A 79 -8.047 8.510 -8.152 1.00 0.00 C ATOM 1220 CG LYS A 79 -8.082 9.309 -9.459 1.00 0.00 C ATOM 1221 CD LYS A 79 -9.445 9.232 -10.164 1.00 0.00 C ATOM 1222 CE LYS A 79 -9.541 8.017 -11.094 1.00 0.00 C ATOM 1223 NZ LYS A 79 -8.904 8.250 -12.408 1.00 0.00 N ATOM 0 H LYS A 79 -6.841 9.825 -6.513 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.484 9.964 -7.445 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.012 8.330 -7.862 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.509 7.535 -8.308 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.844 10.352 -9.249 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.309 8.935 -10.130 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.237 9.181 -9.417 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.608 10.143 -10.740 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -9.070 7.159 -10.614 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.590 7.762 -11.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -8.998 7.397 -12.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -9.369 9.050 -12.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -7.896 8.467 -12.272 1.00 0.00 H new ATOM 1237 N LEU A 80 -9.087 7.797 -5.037 1.00 0.00 N ATOM 1238 CA LEU A 80 -9.816 6.870 -4.171 1.00 0.00 C ATOM 1239 C LEU A 80 -10.845 7.639 -3.329 1.00 0.00 C ATOM 1240 O LEU A 80 -11.686 7.017 -2.696 1.00 0.00 O ATOM 1241 CB LEU A 80 -8.839 6.060 -3.288 1.00 0.00 C ATOM 1242 CG LEU A 80 -7.930 4.996 -3.970 1.00 0.00 C ATOM 1243 CD1 LEU A 80 -8.504 3.586 -3.836 1.00 0.00 C ATOM 1244 CD2 LEU A 80 -7.707 5.191 -5.470 1.00 0.00 C ATOM 0 H LEU A 80 -8.152 8.028 -4.701 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.356 6.154 -4.790 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.191 6.770 -2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -9.426 5.553 -2.523 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.986 5.126 -3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.839 2.874 -4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.596 3.330 -2.781 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.487 3.547 -4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.061 4.398 -5.848 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.665 5.156 -5.988 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.235 6.158 -5.645 1.00 0.00 H new ATOM 1256 N ASP A 81 -10.830 8.976 -3.342 1.00 0.00 N ATOM 1257 CA ASP A 81 -11.880 9.821 -2.753 1.00 0.00 C ATOM 1258 C ASP A 81 -13.105 9.951 -3.670 1.00 0.00 C ATOM 1259 O ASP A 81 -14.081 10.622 -3.318 1.00 0.00 O ATOM 1260 CB ASP A 81 -11.329 11.232 -2.494 1.00 0.00 C ATOM 1261 CG ASP A 81 -12.101 11.999 -1.416 1.00 0.00 C ATOM 1262 OD1 ASP A 81 -12.636 11.396 -0.461 1.00 0.00 O ATOM 1263 OD2 ASP A 81 -12.147 13.249 -1.517 1.00 0.00 O ATOM 0 H ASP A 81 -10.075 9.513 -3.769 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.188 9.341 -1.824 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -10.283 11.156 -2.197 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -11.356 11.801 -3.424 1.00 0.00 H new ATOM 1268 N THR A 82 -13.036 9.392 -4.887 1.00 0.00 N ATOM 1269 CA THR A 82 -14.077 9.533 -5.901 1.00 0.00 C ATOM 1270 C THR A 82 -14.367 8.217 -6.635 1.00 0.00 C ATOM 1271 O THR A 82 -15.493 8.013 -7.090 1.00 0.00 O ATOM 1272 CB THR A 82 -13.736 10.710 -6.841 1.00 0.00 C ATOM 1273 OG1 THR A 82 -12.449 10.628 -7.431 1.00 0.00 O ATOM 1274 CG2 THR A 82 -13.751 12.031 -6.071 1.00 0.00 C ATOM 0 H THR A 82 -12.245 8.825 -5.193 1.00 0.00 H new ATOM 0 HA THR A 82 -15.017 9.775 -5.406 1.00 0.00 H new ATOM 0 HB THR A 82 -14.495 10.661 -7.622 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.013 9.797 -7.150 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.509 12.850 -6.748 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.741 12.193 -5.646 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.014 11.993 -5.269 1.00 0.00 H new ATOM 1282 N GLU A 83 -13.413 7.285 -6.698 1.00 0.00 N ATOM 1283 CA GLU A 83 -13.569 5.897 -7.129 1.00 0.00 C ATOM 1284 C GLU A 83 -12.751 4.974 -6.201 1.00 0.00 C ATOM 1285 O GLU A 83 -11.773 4.356 -6.622 1.00 0.00 O ATOM 1286 CB GLU A 83 -13.106 5.776 -8.587 1.00 0.00 C ATOM 1287 CG GLU A 83 -14.153 6.193 -9.626 1.00 0.00 C ATOM 1288 CD GLU A 83 -15.124 5.052 -9.931 1.00 0.00 C ATOM 1289 OE1 GLU A 83 -14.751 4.165 -10.737 1.00 0.00 O ATOM 1290 OE2 GLU A 83 -16.249 5.075 -9.394 1.00 0.00 O ATOM 0 H GLU A 83 -12.451 7.495 -6.432 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.614 5.593 -7.069 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.214 6.388 -8.723 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.816 4.743 -8.778 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.708 7.056 -9.259 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.653 6.502 -10.544 1.00 0.00 H new ATOM 1297 N PRO A 84 -13.135 4.842 -4.924 1.00 0.00 N ATOM 1298 CA PRO A 84 -12.527 3.891 -4.002 1.00 0.00 C ATOM 1299 C PRO A 84 -12.807 2.448 -4.431 1.00 0.00 C ATOM 1300 O PRO A 84 -12.070 1.536 -4.063 1.00 0.00 O ATOM 1301 CB PRO A 84 -13.090 4.205 -2.616 1.00 0.00 C ATOM 1302 CG PRO A 84 -14.309 5.098 -2.873 1.00 0.00 C ATOM 1303 CD PRO A 84 -14.192 5.601 -4.304 1.00 0.00 C ATOM 0 HA PRO A 84 -11.441 3.986 -3.995 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.373 3.293 -2.090 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -12.352 4.714 -1.997 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.234 4.538 -2.734 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -14.332 5.932 -2.171 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.131 5.466 -4.840 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -13.965 6.667 -4.322 1.00 0.00 H new ATOM 1311 N GLU A 85 -13.832 2.217 -5.254 1.00 0.00 N ATOM 1312 CA GLU A 85 -14.085 0.909 -5.842 1.00 0.00 C ATOM 1313 C GLU A 85 -12.929 0.451 -6.739 1.00 0.00 C ATOM 1314 O GLU A 85 -12.820 -0.749 -6.967 1.00 0.00 O ATOM 1315 CB GLU A 85 -15.413 0.920 -6.611 1.00 0.00 C ATOM 1316 CG GLU A 85 -16.615 1.005 -5.657 1.00 0.00 C ATOM 1317 CD GLU A 85 -17.944 1.262 -6.386 1.00 0.00 C ATOM 1318 OE1 GLU A 85 -18.272 0.540 -7.354 1.00 0.00 O ATOM 1319 OE2 GLU A 85 -18.689 2.198 -6.004 1.00 0.00 O ATOM 0 H GLU A 85 -14.506 2.932 -5.528 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.159 0.186 -5.029 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.431 1.767 -7.297 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.491 0.017 -7.217 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.690 0.075 -5.093 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.443 1.803 -4.935 1.00 0.00 H new ATOM 1326 N LEU A 86 -12.004 1.323 -7.174 1.00 0.00 N ATOM 1327 CA LEU A 86 -10.887 0.923 -8.036 1.00 0.00 C ATOM 1328 C LEU A 86 -9.974 -0.109 -7.400 1.00 0.00 C ATOM 1329 O LEU A 86 -9.266 -0.805 -8.126 1.00 0.00 O ATOM 1330 CB LEU A 86 -9.998 2.120 -8.422 1.00 0.00 C ATOM 1331 CG LEU A 86 -10.249 2.692 -9.822 1.00 0.00 C ATOM 1332 CD1 LEU A 86 -9.074 3.616 -10.161 1.00 0.00 C ATOM 1333 CD2 LEU A 86 -10.350 1.586 -10.880 1.00 0.00 C ATOM 0 H LEU A 86 -12.012 2.315 -6.939 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.371 0.494 -8.913 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.147 2.914 -7.690 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.954 1.814 -8.353 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.197 3.231 -9.825 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.220 4.042 -11.154 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.019 4.419 -9.426 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.146 3.045 -10.144 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.528 2.033 -11.858 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.419 1.019 -10.904 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.175 0.918 -10.631 1.00 0.00 H new ATOM 1345 N ILE A 87 -9.989 -0.231 -6.075 1.00 0.00 N ATOM 1346 CA ILE A 87 -9.244 -1.267 -5.384 1.00 0.00 C ATOM 1347 C ILE A 87 -9.734 -2.638 -5.874 1.00 0.00 C ATOM 1348 O ILE A 87 -8.944 -3.564 -5.958 1.00 0.00 O ATOM 1349 CB ILE A 87 -9.417 -1.117 -3.861 1.00 0.00 C ATOM 1350 CG1 ILE A 87 -9.166 0.316 -3.337 1.00 0.00 C ATOM 1351 CG2 ILE A 87 -8.448 -2.055 -3.131 1.00 0.00 C ATOM 1352 CD1 ILE A 87 -9.868 0.561 -2.002 1.00 0.00 C ATOM 0 H ILE A 87 -10.517 0.385 -5.457 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.180 -1.176 -5.602 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.459 -1.367 -3.661 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.095 0.478 -3.220 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -9.519 1.039 -4.072 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -8.576 -1.944 -2.054 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -8.655 -3.086 -3.416 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.423 -1.803 -3.403 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -9.668 1.579 -1.667 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.942 0.425 -2.125 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -9.495 -0.145 -1.260 1.00 0.00 H new ATOM 1364 N ASN A 88 -11.013 -2.784 -6.234 1.00 0.00 N ATOM 1365 CA ASN A 88 -11.535 -4.008 -6.842 1.00 0.00 C ATOM 1366 C ASN A 88 -10.916 -4.215 -8.216 1.00 0.00 C ATOM 1367 O ASN A 88 -10.535 -5.312 -8.612 1.00 0.00 O ATOM 1368 CB ASN A 88 -13.050 -3.902 -7.062 1.00 0.00 C ATOM 1369 CG ASN A 88 -13.854 -4.046 -5.775 1.00 0.00 C ATOM 1370 OD1 ASN A 88 -14.558 -5.030 -5.579 1.00 0.00 O ATOM 1371 ND2 ASN A 88 -13.795 -3.091 -4.860 1.00 0.00 N ATOM 0 H ASN A 88 -11.715 -2.054 -6.111 1.00 0.00 H new ATOM 0 HA ASN A 88 -11.296 -4.830 -6.168 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.278 -2.939 -7.520 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.363 -4.672 -7.767 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -14.333 -3.177 -3.998 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -13.211 -2.270 -5.017 1.00 0.00 H new ATOM 1378 N LYS A 89 -10.932 -3.126 -8.976 1.00 0.00 N ATOM 1379 CA LYS A 89 -10.696 -3.087 -10.402 1.00 0.00 C ATOM 1380 C LYS A 89 -9.251 -3.386 -10.731 1.00 0.00 C ATOM 1381 O LYS A 89 -8.997 -4.146 -11.660 1.00 0.00 O ATOM 1382 CB LYS A 89 -11.109 -1.699 -10.905 1.00 0.00 C ATOM 1383 CG LYS A 89 -12.306 -1.818 -11.824 1.00 0.00 C ATOM 1384 CD LYS A 89 -12.720 -0.525 -12.516 1.00 0.00 C ATOM 1385 CE LYS A 89 -13.828 -0.874 -13.507 1.00 0.00 C ATOM 1386 NZ LYS A 89 -14.092 0.244 -14.423 1.00 0.00 N ATOM 0 H LYS A 89 -11.120 -2.202 -8.587 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.287 -3.856 -10.900 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -11.351 -1.054 -10.060 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.278 -1.233 -11.435 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -12.087 -2.566 -12.586 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.152 -2.190 -11.247 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -13.072 0.205 -11.787 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.871 -0.076 -13.032 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.543 -1.757 -14.079 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -14.739 -1.126 -12.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.849 -0.021 -15.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -14.386 1.078 -13.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.228 0.467 -14.957 1.00 0.00 H new ATOM 1400 N ASP A 90 -8.324 -2.742 -10.027 1.00 0.00 N ATOM 1401 CA ASP A 90 -6.916 -3.064 -10.131 1.00 0.00 C ATOM 1402 C ASP A 90 -6.223 -2.667 -8.837 1.00 0.00 C ATOM 1403 O ASP A 90 -5.656 -1.573 -8.752 1.00 0.00 O ATOM 1404 CB ASP A 90 -6.261 -2.405 -11.347 1.00 0.00 C ATOM 1405 CG ASP A 90 -5.241 -3.388 -11.912 1.00 0.00 C ATOM 1406 OD1 ASP A 90 -4.277 -3.749 -11.203 1.00 0.00 O ATOM 1407 OD2 ASP A 90 -5.361 -3.765 -13.097 1.00 0.00 O ATOM 0 H ASP A 90 -8.533 -1.987 -9.373 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.812 -4.138 -10.282 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.011 -2.157 -12.098 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.776 -1.472 -11.061 1.00 0.00 H new ATOM 1412 N PRO A 91 -6.263 -3.517 -7.800 1.00 0.00 N ATOM 1413 CA PRO A 91 -5.642 -3.184 -6.531 1.00 0.00 C ATOM 1414 C PRO A 91 -4.135 -3.016 -6.684 1.00 0.00 C ATOM 1415 O PRO A 91 -3.536 -2.359 -5.842 1.00 0.00 O ATOM 1416 CB PRO A 91 -5.971 -4.326 -5.565 1.00 0.00 C ATOM 1417 CG PRO A 91 -6.469 -5.468 -6.444 1.00 0.00 C ATOM 1418 CD PRO A 91 -6.837 -4.850 -7.791 1.00 0.00 C ATOM 0 HA PRO A 91 -6.022 -2.235 -6.154 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -5.091 -4.624 -4.995 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -6.731 -4.024 -4.844 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.698 -6.229 -6.564 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -7.332 -5.957 -5.993 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.444 -5.448 -8.613 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -7.919 -4.808 -7.917 1.00 0.00 H new ATOM 1426 N GLU A 92 -3.523 -3.569 -7.740 1.00 0.00 N ATOM 1427 CA GLU A 92 -2.094 -3.478 -8.016 1.00 0.00 C ATOM 1428 C GLU A 92 -1.814 -2.643 -9.272 1.00 0.00 C ATOM 1429 O GLU A 92 -0.760 -2.790 -9.899 1.00 0.00 O ATOM 1430 CB GLU A 92 -1.374 -4.838 -8.048 1.00 0.00 C ATOM 1431 CG GLU A 92 -2.019 -6.059 -7.372 1.00 0.00 C ATOM 1432 CD GLU A 92 -1.064 -7.263 -7.412 1.00 0.00 C ATOM 1433 OE1 GLU A 92 -0.476 -7.551 -8.485 1.00 0.00 O ATOM 1434 OE2 GLU A 92 -0.841 -7.898 -6.354 1.00 0.00 O ATOM 0 H GLU A 92 -4.029 -4.107 -8.443 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.662 -2.952 -7.164 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.210 -5.095 -9.095 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -0.392 -4.697 -7.596 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.269 -5.820 -6.338 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.952 -6.311 -7.876 1.00 0.00 H new ATOM 1441 N GLY A 93 -2.756 -1.787 -9.665 1.00 0.00 N ATOM 1442 CA GLY A 93 -2.660 -0.962 -10.852 1.00 0.00 C ATOM 1443 C GLY A 93 -2.979 0.466 -10.472 1.00 0.00 C ATOM 1444 O GLY A 93 -2.139 1.151 -9.889 1.00 0.00 O ATOM 0 H GLY A 93 -3.625 -1.650 -9.149 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.658 -1.026 -11.277 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.354 -1.315 -11.615 1.00 0.00 H new ATOM 1448 N GLU A 94 -4.201 0.899 -10.783 1.00 0.00 N ATOM 1449 CA GLU A 94 -4.670 2.252 -10.507 1.00 0.00 C ATOM 1450 C GLU A 94 -5.250 2.363 -9.091 1.00 0.00 C ATOM 1451 O GLU A 94 -5.271 3.464 -8.547 1.00 0.00 O ATOM 1452 CB GLU A 94 -5.716 2.657 -11.557 1.00 0.00 C ATOM 1453 CG GLU A 94 -5.106 2.968 -12.936 1.00 0.00 C ATOM 1454 CD GLU A 94 -4.651 4.422 -13.080 1.00 0.00 C ATOM 1455 OE1 GLU A 94 -4.027 4.960 -12.137 1.00 0.00 O ATOM 1456 OE2 GLU A 94 -4.951 5.031 -14.136 1.00 0.00 O ATOM 0 H GLU A 94 -4.899 0.311 -11.239 1.00 0.00 H new ATOM 0 HA GLU A 94 -3.821 2.933 -10.565 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.445 1.853 -11.663 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.258 3.533 -11.201 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.255 2.309 -13.106 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.841 2.746 -13.710 1.00 0.00 H new ATOM 1463 N GLY A 95 -5.663 1.261 -8.447 1.00 0.00 N ATOM 1464 CA GLY A 95 -6.166 1.293 -7.069 1.00 0.00 C ATOM 1465 C GLY A 95 -5.054 1.355 -6.007 1.00 0.00 C ATOM 1466 O GLY A 95 -5.181 0.730 -4.955 1.00 0.00 O ATOM 0 H GLY A 95 -5.657 0.330 -8.864 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.819 2.158 -6.950 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.775 0.407 -6.893 1.00 0.00 H new ATOM 1470 N TRP A 96 -3.964 2.084 -6.272 1.00 0.00 N ATOM 1471 CA TRP A 96 -2.889 2.362 -5.314 1.00 0.00 C ATOM 1472 C TRP A 96 -3.398 3.294 -4.197 1.00 0.00 C ATOM 1473 O TRP A 96 -4.390 3.995 -4.422 1.00 0.00 O ATOM 1474 CB TRP A 96 -1.673 2.913 -6.090 1.00 0.00 C ATOM 1475 CG TRP A 96 -1.796 4.194 -6.858 1.00 0.00 C ATOM 1476 CD1 TRP A 96 -2.216 4.305 -8.137 1.00 0.00 C ATOM 1477 CD2 TRP A 96 -1.434 5.548 -6.440 1.00 0.00 C ATOM 1478 NE1 TRP A 96 -2.230 5.633 -8.509 1.00 0.00 N ATOM 1479 CE2 TRP A 96 -1.758 6.444 -7.501 1.00 0.00 C ATOM 1480 CE3 TRP A 96 -0.889 6.119 -5.268 1.00 0.00 C ATOM 1481 CZ2 TRP A 96 -1.602 7.830 -7.383 1.00 0.00 C ATOM 1482 CZ3 TRP A 96 -0.730 7.514 -5.141 1.00 0.00 C ATOM 1483 CH2 TRP A 96 -1.075 8.368 -6.201 1.00 0.00 C ATOM 0 H TRP A 96 -3.801 2.509 -7.185 1.00 0.00 H new ATOM 0 HA TRP A 96 -2.564 1.453 -4.807 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -0.861 3.040 -5.374 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -1.360 2.141 -6.793 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -2.498 3.479 -8.772 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -2.550 5.972 -9.416 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -0.589 5.475 -4.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -1.886 8.480 -8.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -0.340 7.928 -4.223 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -0.935 9.435 -6.106 1.00 0.00 H new ATOM 1494 N LEU A 97 -2.751 3.305 -3.012 1.00 0.00 N ATOM 1495 CA LEU A 97 -3.107 4.196 -1.914 1.00 0.00 C ATOM 1496 C LEU A 97 -2.111 5.353 -1.887 1.00 0.00 C ATOM 1497 O LEU A 97 -2.546 6.467 -2.164 1.00 0.00 O ATOM 1498 CB LEU A 97 -3.169 3.541 -0.525 1.00 0.00 C ATOM 1499 CG LEU A 97 -3.964 2.235 -0.339 1.00 0.00 C ATOM 1500 CD1 LEU A 97 -3.115 1.212 0.426 1.00 0.00 C ATOM 1501 CD2 LEU A 97 -5.235 2.433 0.492 1.00 0.00 C ATOM 0 H LEU A 97 -1.966 2.689 -2.801 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.126 4.528 -2.114 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.144 3.348 -0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.582 4.276 0.165 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.225 1.897 -1.342 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.683 0.291 0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.205 1.002 -0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.853 1.615 1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.756 1.481 0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.969 2.806 1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.886 3.153 -0.004 1.00 0.00 H new ATOM 1513 N PHE A 98 -0.802 5.174 -1.570 1.00 0.00 N ATOM 1514 CA PHE A 98 0.023 6.399 -1.472 1.00 0.00 C ATOM 1515 C PHE A 98 1.345 6.249 -2.209 1.00 0.00 C ATOM 1516 O PHE A 98 1.577 5.229 -2.857 1.00 0.00 O ATOM 1517 CB PHE A 98 0.111 6.891 -0.009 1.00 0.00 C ATOM 1518 CG PHE A 98 0.714 5.959 1.027 1.00 0.00 C ATOM 1519 CD1 PHE A 98 2.093 6.002 1.298 1.00 0.00 C ATOM 1520 CD2 PHE A 98 -0.109 5.091 1.770 1.00 0.00 C ATOM 1521 CE1 PHE A 98 2.641 5.210 2.324 1.00 0.00 C ATOM 1522 CE2 PHE A 98 0.444 4.287 2.784 1.00 0.00 C ATOM 1523 CZ PHE A 98 1.818 4.344 3.059 1.00 0.00 C ATOM 0 H PHE A 98 -0.333 4.285 -1.394 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.471 7.213 -2.002 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.690 7.815 -0.003 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.897 7.144 0.318 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.735 6.646 0.716 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -1.167 5.042 1.561 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.696 5.269 2.546 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.192 3.624 3.352 1.00 0.00 H new ATOM 0 HZ PHE A 98 2.241 3.723 3.835 1.00 0.00 H new ATOM 1533 N LYS A 99 2.208 7.261 -2.145 1.00 0.00 N ATOM 1534 CA LYS A 99 3.577 7.168 -2.619 1.00 0.00 C ATOM 1535 C LYS A 99 4.482 7.829 -1.607 1.00 0.00 C ATOM 1536 O LYS A 99 4.135 8.864 -1.028 1.00 0.00 O ATOM 1537 CB LYS A 99 3.768 7.837 -3.977 1.00 0.00 C ATOM 1538 CG LYS A 99 2.758 7.396 -5.033 1.00 0.00 C ATOM 1539 CD LYS A 99 3.252 7.728 -6.434 1.00 0.00 C ATOM 1540 CE LYS A 99 2.193 7.278 -7.437 1.00 0.00 C ATOM 1541 NZ LYS A 99 2.735 7.225 -8.804 1.00 0.00 N ATOM 0 H LYS A 99 1.969 8.174 -1.758 1.00 0.00 H new ATOM 0 HA LYS A 99 3.822 6.113 -2.739 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.699 8.918 -3.851 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.774 7.622 -4.338 1.00 0.00 H new ATOM 0 HG2 LYS A 99 2.585 6.323 -4.950 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.802 7.888 -4.855 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.433 8.799 -6.528 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.199 7.226 -6.631 1.00 0.00 H new ATOM 0 HE2 LYS A 99 1.817 6.294 -7.155 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.346 7.964 -7.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 1.990 6.916 -9.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.071 8.169 -9.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 3.527 6.552 -8.837 1.00 0.00 H new ATOM 1555 N MET A 100 5.646 7.236 -1.399 1.00 0.00 N ATOM 1556 CA MET A 100 6.568 7.642 -0.366 1.00 0.00 C ATOM 1557 C MET A 100 7.995 7.536 -0.888 1.00 0.00 C ATOM 1558 O MET A 100 8.319 6.604 -1.620 1.00 0.00 O ATOM 1559 CB MET A 100 6.292 6.789 0.875 1.00 0.00 C ATOM 1560 CG MET A 100 6.345 5.270 0.627 1.00 0.00 C ATOM 1561 SD MET A 100 7.946 4.506 0.997 1.00 0.00 S ATOM 1562 CE MET A 100 7.894 4.601 2.805 1.00 0.00 C ATOM 0 H MET A 100 5.977 6.447 -1.955 1.00 0.00 H new ATOM 0 HA MET A 100 6.433 8.685 -0.081 1.00 0.00 H new ATOM 0 HB2 MET A 100 7.019 7.045 1.646 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.308 7.047 1.267 1.00 0.00 H new ATOM 0 HG2 MET A 100 5.578 4.788 1.233 1.00 0.00 H new ATOM 0 HG3 MET A 100 6.096 5.076 -0.416 1.00 0.00 H new ATOM 0 HE1 MET A 100 8.876 4.358 3.211 1.00 0.00 H new ATOM 0 HE2 MET A 100 7.616 5.610 3.108 1.00 0.00 H new ATOM 0 HE3 MET A 100 7.158 3.892 3.186 1.00 0.00 H new ATOM 1572 N GLU A 101 8.814 8.531 -0.564 1.00 0.00 N ATOM 1573 CA GLU A 101 10.245 8.557 -0.730 1.00 0.00 C ATOM 1574 C GLU A 101 10.795 7.438 0.142 1.00 0.00 C ATOM 1575 O GLU A 101 10.480 7.398 1.336 1.00 0.00 O ATOM 1576 CB GLU A 101 10.758 9.932 -0.264 1.00 0.00 C ATOM 1577 CG GLU A 101 12.287 10.019 -0.343 1.00 0.00 C ATOM 1578 CD GLU A 101 12.866 11.298 0.275 1.00 0.00 C ATOM 1579 OE1 GLU A 101 12.146 12.279 0.572 1.00 0.00 O ATOM 1580 OE2 GLU A 101 14.101 11.323 0.490 1.00 0.00 O ATOM 0 H GLU A 101 8.462 9.395 -0.151 1.00 0.00 H new ATOM 0 HA GLU A 101 10.557 8.411 -1.764 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.316 10.714 -0.881 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.435 10.114 0.761 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.718 9.155 0.163 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.592 9.961 -1.388 1.00 0.00 H new ATOM 1587 N ILE A 102 11.588 6.546 -0.443 1.00 0.00 N ATOM 1588 CA ILE A 102 12.286 5.515 0.311 1.00 0.00 C ATOM 1589 C ILE A 102 13.475 6.162 1.034 1.00 0.00 C ATOM 1590 O ILE A 102 14.208 6.961 0.442 1.00 0.00 O ATOM 1591 CB ILE A 102 12.695 4.341 -0.612 1.00 0.00 C ATOM 1592 CG1 ILE A 102 13.289 4.809 -1.957 1.00 0.00 C ATOM 1593 CG2 ILE A 102 11.445 3.485 -0.885 1.00 0.00 C ATOM 1594 CD1 ILE A 102 14.035 3.759 -2.778 1.00 0.00 C ATOM 0 H ILE A 102 11.763 6.519 -1.447 1.00 0.00 H new ATOM 0 HA ILE A 102 11.630 5.079 1.065 1.00 0.00 H new ATOM 0 HB ILE A 102 13.473 3.772 -0.102 1.00 0.00 H new ATOM 0 HG12 ILE A 102 12.478 5.206 -2.568 1.00 0.00 H new ATOM 0 HG13 ILE A 102 13.972 5.635 -1.759 1.00 0.00 H new ATOM 0 HG21 ILE A 102 11.710 2.651 -1.534 1.00 0.00 H new ATOM 0 HG22 ILE A 102 11.054 3.101 0.057 1.00 0.00 H new ATOM 0 HG23 ILE A 102 10.685 4.096 -1.372 1.00 0.00 H new ATOM 0 HD11 ILE A 102 14.404 4.211 -3.699 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.876 3.375 -2.200 1.00 0.00 H new ATOM 0 HD13 ILE A 102 13.359 2.940 -3.022 1.00 0.00 H new ATOM 1606 N SER A 103 13.672 5.815 2.304 1.00 0.00 N ATOM 1607 CA SER A 103 14.730 6.315 3.176 1.00 0.00 C ATOM 1608 C SER A 103 15.691 5.229 3.647 1.00 0.00 C ATOM 1609 O SER A 103 16.739 5.550 4.205 1.00 0.00 O ATOM 1610 CB SER A 103 14.086 6.982 4.389 1.00 0.00 C ATOM 1611 OG SER A 103 13.357 8.142 4.013 1.00 0.00 O ATOM 0 H SER A 103 13.067 5.143 2.776 1.00 0.00 H new ATOM 0 HA SER A 103 15.322 7.023 2.596 1.00 0.00 H new ATOM 0 HB2 SER A 103 13.420 6.276 4.884 1.00 0.00 H new ATOM 0 HB3 SER A 103 14.857 7.252 5.110 1.00 0.00 H new ATOM 0 HG SER A 103 12.954 8.547 4.809 1.00 0.00 H new ATOM 1617 N ASP A 104 15.372 3.954 3.432 1.00 0.00 N ATOM 1618 CA ASP A 104 16.297 2.861 3.693 1.00 0.00 C ATOM 1619 C ASP A 104 16.003 1.829 2.605 1.00 0.00 C ATOM 1620 O ASP A 104 15.206 0.914 2.827 1.00 0.00 O ATOM 1621 CB ASP A 104 16.103 2.244 5.097 1.00 0.00 C ATOM 1622 CG ASP A 104 16.125 3.182 6.303 1.00 0.00 C ATOM 1623 OD1 ASP A 104 15.060 3.767 6.617 1.00 0.00 O ATOM 1624 OD2 ASP A 104 17.105 3.177 7.078 1.00 0.00 O ATOM 0 H ASP A 104 14.466 3.653 3.073 1.00 0.00 H new ATOM 0 HA ASP A 104 17.329 3.211 3.675 1.00 0.00 H new ATOM 0 HB2 ASP A 104 15.149 1.717 5.101 1.00 0.00 H new ATOM 0 HB3 ASP A 104 16.881 1.495 5.243 1.00 0.00 H new ATOM 1629 N GLU A 105 16.534 1.987 1.387 1.00 0.00 N ATOM 1630 CA GLU A 105 16.230 1.042 0.299 1.00 0.00 C ATOM 1631 C GLU A 105 16.926 -0.314 0.491 1.00 0.00 C ATOM 1632 O GLU A 105 16.639 -1.279 -0.218 1.00 0.00 O ATOM 1633 CB GLU A 105 16.391 1.692 -1.090 1.00 0.00 C ATOM 1634 CG GLU A 105 17.538 1.264 -2.027 1.00 0.00 C ATOM 1635 CD GLU A 105 17.102 1.205 -3.493 1.00 0.00 C ATOM 1636 OE1 GLU A 105 16.705 2.242 -4.070 1.00 0.00 O ATOM 1637 OE2 GLU A 105 17.177 0.102 -4.089 1.00 0.00 O ATOM 0 H GLU A 105 17.166 2.745 1.129 1.00 0.00 H new ATOM 0 HA GLU A 105 15.170 0.792 0.350 1.00 0.00 H new ATOM 0 HB2 GLU A 105 15.458 1.532 -1.630 1.00 0.00 H new ATOM 0 HB3 GLU A 105 16.488 2.766 -0.933 1.00 0.00 H new ATOM 0 HG2 GLU A 105 18.367 1.964 -1.925 1.00 0.00 H new ATOM 0 HG3 GLU A 105 17.908 0.285 -1.721 1.00 0.00 H new ATOM 1644 N GLY A 106 17.782 -0.399 1.504 1.00 0.00 N ATOM 1645 CA GLY A 106 18.286 -1.650 2.042 1.00 0.00 C ATOM 1646 C GLY A 106 17.127 -2.485 2.585 1.00 0.00 C ATOM 1647 O GLY A 106 16.970 -3.640 2.185 1.00 0.00 O ATOM 0 H GLY A 106 18.151 0.422 1.983 1.00 0.00 H new ATOM 0 HA2 GLY A 106 18.813 -2.204 1.265 1.00 0.00 H new ATOM 0 HA3 GLY A 106 19.006 -1.451 2.836 1.00 0.00 H new ATOM 1651 N GLU A 107 16.270 -1.889 3.427 1.00 0.00 N ATOM 1652 CA GLU A 107 15.190 -2.589 4.126 1.00 0.00 C ATOM 1653 C GLU A 107 14.101 -3.129 3.203 1.00 0.00 C ATOM 1654 O GLU A 107 13.229 -3.857 3.678 1.00 0.00 O ATOM 1655 CB GLU A 107 14.525 -1.693 5.188 1.00 0.00 C ATOM 1656 CG GLU A 107 15.390 -1.555 6.445 1.00 0.00 C ATOM 1657 CD GLU A 107 14.540 -1.326 7.696 1.00 0.00 C ATOM 1658 OE1 GLU A 107 13.612 -2.114 7.989 1.00 0.00 O ATOM 1659 OE2 GLU A 107 14.818 -0.375 8.462 1.00 0.00 O ATOM 0 H GLU A 107 16.311 -0.893 3.642 1.00 0.00 H new ATOM 0 HA GLU A 107 15.681 -3.439 4.599 1.00 0.00 H new ATOM 0 HB2 GLU A 107 14.340 -0.706 4.765 1.00 0.00 H new ATOM 0 HB3 GLU A 107 13.555 -2.111 5.459 1.00 0.00 H new ATOM 0 HG2 GLU A 107 15.991 -2.455 6.573 1.00 0.00 H new ATOM 0 HG3 GLU A 107 16.084 -0.724 6.320 1.00 0.00 H new ATOM 1666 N LEU A 108 14.131 -2.814 1.906 1.00 0.00 N ATOM 1667 CA LEU A 108 13.238 -3.462 0.960 1.00 0.00 C ATOM 1668 C LEU A 108 13.534 -4.960 0.942 1.00 0.00 C ATOM 1669 O LEU A 108 12.614 -5.763 0.929 1.00 0.00 O ATOM 1670 CB LEU A 108 13.427 -2.925 -0.457 1.00 0.00 C ATOM 1671 CG LEU A 108 13.366 -1.423 -0.708 1.00 0.00 C ATOM 1672 CD1 LEU A 108 13.279 -1.204 -2.207 1.00 0.00 C ATOM 1673 CD2 LEU A 108 12.259 -0.669 -0.001 1.00 0.00 C ATOM 0 H LEU A 108 14.758 -2.122 1.496 1.00 0.00 H new ATOM 0 HA LEU A 108 12.215 -3.261 1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.396 -3.276 -0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 108 12.669 -3.392 -1.086 1.00 0.00 H new ATOM 0 HG LEU A 108 14.275 -1.006 -0.275 1.00 0.00 H new ATOM 0 HD11 LEU A 108 13.234 -0.135 -2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 108 14.158 -1.631 -2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.382 -1.688 -2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 108 12.318 0.389 -0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 108 11.292 -1.064 -0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 108 12.368 -0.788 1.077 1.00 0.00 H new ATOM 1685 N GLU A 109 14.809 -5.352 0.957 1.00 0.00 N ATOM 1686 CA GLU A 109 15.220 -6.756 0.947 1.00 0.00 C ATOM 1687 C GLU A 109 14.928 -7.434 2.297 1.00 0.00 C ATOM 1688 O GLU A 109 15.209 -8.620 2.453 1.00 0.00 O ATOM 1689 CB GLU A 109 16.711 -6.837 0.576 1.00 0.00 C ATOM 1690 CG GLU A 109 17.020 -6.381 -0.866 1.00 0.00 C ATOM 1691 CD GLU A 109 17.081 -7.540 -1.867 1.00 0.00 C ATOM 1692 OE1 GLU A 109 18.073 -8.304 -1.815 1.00 0.00 O ATOM 1693 OE2 GLU A 109 16.207 -7.645 -2.763 1.00 0.00 O ATOM 0 H GLU A 109 15.592 -4.698 0.977 1.00 0.00 H new ATOM 0 HA GLU A 109 14.641 -7.298 0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 109 17.283 -6.223 1.272 1.00 0.00 H new ATOM 0 HB3 GLU A 109 17.052 -7.864 0.703 1.00 0.00 H new ATOM 0 HG2 GLU A 109 16.257 -5.672 -1.187 1.00 0.00 H new ATOM 0 HG3 GLU A 109 17.972 -5.851 -0.876 1.00 0.00 H new ATOM 1700 N ASP A 110 14.369 -6.712 3.275 1.00 0.00 N ATOM 1701 CA ASP A 110 13.839 -7.307 4.495 1.00 0.00 C ATOM 1702 C ASP A 110 12.388 -7.777 4.308 1.00 0.00 C ATOM 1703 O ASP A 110 11.902 -8.597 5.092 1.00 0.00 O ATOM 1704 CB ASP A 110 13.919 -6.307 5.653 1.00 0.00 C ATOM 1705 CG ASP A 110 14.107 -7.044 6.975 1.00 0.00 C ATOM 1706 OD1 ASP A 110 15.273 -7.404 7.261 1.00 0.00 O ATOM 1707 OD2 ASP A 110 13.113 -7.255 7.709 1.00 0.00 O ATOM 0 H ASP A 110 14.274 -5.697 3.237 1.00 0.00 H new ATOM 0 HA ASP A 110 14.449 -8.179 4.730 1.00 0.00 H new ATOM 0 HB2 ASP A 110 14.748 -5.618 5.491 1.00 0.00 H new ATOM 0 HB3 ASP A 110 13.009 -5.708 5.689 1.00 0.00 H new ATOM 1712 N LEU A 111 11.697 -7.260 3.285 1.00 0.00 N ATOM 1713 CA LEU A 111 10.289 -7.503 2.986 1.00 0.00 C ATOM 1714 C LEU A 111 10.110 -8.746 2.116 1.00 0.00 C ATOM 1715 O LEU A 111 11.073 -9.358 1.655 1.00 0.00 O ATOM 1716 CB LEU A 111 9.697 -6.288 2.252 1.00 0.00 C ATOM 1717 CG LEU A 111 9.710 -4.958 3.018 1.00 0.00 C ATOM 1718 CD1 LEU A 111 8.966 -3.932 2.158 1.00 0.00 C ATOM 1719 CD2 LEU A 111 9.055 -5.073 4.400 1.00 0.00 C ATOM 0 H LEU A 111 12.131 -6.629 2.611 1.00 0.00 H new ATOM 0 HA LEU A 111 9.770 -7.663 3.931 1.00 0.00 H new ATOM 0 HB2 LEU A 111 10.245 -6.151 1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 111 8.666 -6.519 1.985 1.00 0.00 H new ATOM 0 HG LEU A 111 10.741 -4.654 3.197 1.00 0.00 H new ATOM 0 HD11 LEU A 111 8.953 -2.970 2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 111 9.472 -3.826 1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.943 -4.269 1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 111 9.090 -4.106 4.901 1.00 0.00 H new ATOM 0 HD22 LEU A 111 8.017 -5.385 4.286 1.00 0.00 H new ATOM 0 HD23 LEU A 111 9.592 -5.810 4.997 1.00 0.00 H new ATOM 1731 N LEU A 112 8.847 -9.108 1.887 1.00 0.00 N ATOM 1732 CA LEU A 112 8.454 -10.312 1.175 1.00 0.00 C ATOM 1733 C LEU A 112 8.627 -10.114 -0.329 1.00 0.00 C ATOM 1734 O LEU A 112 8.279 -9.057 -0.876 1.00 0.00 O ATOM 1735 CB LEU A 112 6.968 -10.605 1.430 1.00 0.00 C ATOM 1736 CG LEU A 112 6.566 -10.852 2.897 1.00 0.00 C ATOM 1737 CD1 LEU A 112 5.123 -10.385 3.078 1.00 0.00 C ATOM 1738 CD2 LEU A 112 6.666 -12.329 3.283 1.00 0.00 C ATOM 0 H LEU A 112 8.052 -8.553 2.203 1.00 0.00 H new ATOM 0 HA LEU A 112 9.078 -11.133 1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.383 -9.767 1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 112 6.686 -11.481 0.845 1.00 0.00 H new ATOM 0 HG LEU A 112 7.251 -10.299 3.540 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.814 -10.550 4.110 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.052 -9.323 2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.472 -10.949 2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 112 6.373 -12.453 4.325 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.004 -12.917 2.647 1.00 0.00 H new ATOM 0 HD23 LEU A 112 7.693 -12.671 3.152 1.00 0.00 H new ATOM 1750 N ASP A 113 9.054 -11.185 -0.994 1.00 0.00 N ATOM 1751 CA ASP A 113 8.903 -11.430 -2.422 1.00 0.00 C ATOM 1752 C ASP A 113 7.410 -11.446 -2.773 1.00 0.00 C ATOM 1753 O ASP A 113 6.558 -11.575 -1.895 1.00 0.00 O ATOM 1754 CB ASP A 113 9.450 -12.812 -2.862 1.00 0.00 C ATOM 1755 CG ASP A 113 10.631 -13.461 -2.124 1.00 0.00 C ATOM 1756 OD1 ASP A 113 10.771 -13.315 -0.890 1.00 0.00 O ATOM 1757 OD2 ASP A 113 11.306 -14.299 -2.764 1.00 0.00 O ATOM 0 H ASP A 113 9.542 -11.946 -0.522 1.00 0.00 H new ATOM 0 HA ASP A 113 9.460 -10.640 -2.926 1.00 0.00 H new ATOM 0 HB2 ASP A 113 8.618 -13.515 -2.816 1.00 0.00 H new ATOM 0 HB3 ASP A 113 9.736 -12.724 -3.910 1.00 0.00 H new ATOM 1762 N GLU A 114 7.075 -11.462 -4.065 1.00 0.00 N ATOM 1763 CA GLU A 114 5.707 -11.657 -4.532 1.00 0.00 C ATOM 1764 C GLU A 114 5.248 -13.084 -4.238 1.00 0.00 C ATOM 1765 O GLU A 114 4.194 -13.265 -3.626 1.00 0.00 O ATOM 1766 CB GLU A 114 5.572 -11.339 -6.028 1.00 0.00 C ATOM 1767 CG GLU A 114 4.110 -11.465 -6.511 1.00 0.00 C ATOM 1768 CD GLU A 114 3.797 -10.632 -7.764 1.00 0.00 C ATOM 1769 OE1 GLU A 114 4.570 -10.655 -8.753 1.00 0.00 O ATOM 1770 OE2 GLU A 114 2.801 -9.864 -7.745 1.00 0.00 O ATOM 0 H GLU A 114 7.752 -11.339 -4.818 1.00 0.00 H new ATOM 0 HA GLU A 114 5.064 -10.962 -3.992 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.932 -10.328 -6.219 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.204 -12.016 -6.602 1.00 0.00 H new ATOM 0 HG2 GLU A 114 3.895 -12.513 -6.720 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.443 -11.157 -5.706 1.00 0.00 H new ATOM 1777 N GLN A 115 6.031 -14.101 -4.633 1.00 0.00 N ATOM 1778 CA GLN A 115 5.707 -15.471 -4.317 1.00 0.00 C ATOM 1779 C GLN A 115 5.645 -15.605 -2.797 1.00 0.00 C ATOM 1780 O GLN A 115 4.689 -16.163 -2.281 1.00 0.00 O ATOM 1781 CB GLN A 115 6.732 -16.415 -4.969 1.00 0.00 C ATOM 1782 CG GLN A 115 6.624 -17.789 -4.303 1.00 0.00 C ATOM 1783 CD GLN A 115 7.349 -18.935 -4.995 1.00 0.00 C ATOM 1784 OE1 GLN A 115 8.205 -18.743 -5.858 1.00 0.00 O ATOM 1785 NE2 GLN A 115 7.028 -20.158 -4.604 1.00 0.00 N ATOM 0 H GLN A 115 6.890 -13.984 -5.171 1.00 0.00 H new ATOM 0 HA GLN A 115 4.735 -15.755 -4.720 1.00 0.00 H new ATOM 0 HB2 GLN A 115 6.543 -16.498 -6.039 1.00 0.00 H new ATOM 0 HB3 GLN A 115 7.740 -16.017 -4.853 1.00 0.00 H new ATOM 0 HG2 GLN A 115 7.007 -17.707 -3.286 1.00 0.00 H new ATOM 0 HG3 GLN A 115 5.568 -18.049 -4.226 1.00 0.00 H new ATOM 0 HE21 GLN A 115 6.315 -20.294 -3.887 1.00 0.00 H new ATOM 0 HE22 GLN A 115 7.493 -20.965 -5.020 1.00 0.00 H new ATOM 1794 N ALA A 116 6.639 -15.094 -2.068 1.00 0.00 N ATOM 1795 CA ALA A 116 6.690 -15.254 -0.620 1.00 0.00 C ATOM 1796 C ALA A 116 5.517 -14.559 0.078 1.00 0.00 C ATOM 1797 O ALA A 116 5.090 -15.021 1.139 1.00 0.00 O ATOM 1798 CB ALA A 116 8.019 -14.730 -0.088 1.00 0.00 C ATOM 0 H ALA A 116 7.419 -14.566 -2.460 1.00 0.00 H new ATOM 0 HA ALA A 116 6.607 -16.318 -0.399 1.00 0.00 H new ATOM 0 HB1 ALA A 116 8.051 -14.852 0.995 1.00 0.00 H new ATOM 0 HB2 ALA A 116 8.838 -15.289 -0.541 1.00 0.00 H new ATOM 0 HB3 ALA A 116 8.119 -13.674 -0.337 1.00 0.00 H new ATOM 1804 N TYR A 117 4.997 -13.466 -0.489 1.00 0.00 N ATOM 1805 CA TYR A 117 3.754 -12.854 -0.036 1.00 0.00 C ATOM 1806 C TYR A 117 2.558 -13.771 -0.315 1.00 0.00 C ATOM 1807 O TYR A 117 1.683 -13.903 0.544 1.00 0.00 O ATOM 1808 CB TYR A 117 3.581 -11.478 -0.692 1.00 0.00 C ATOM 1809 CG TYR A 117 2.147 -11.000 -0.702 1.00 0.00 C ATOM 1810 CD1 TYR A 117 1.556 -10.493 0.470 1.00 0.00 C ATOM 1811 CD2 TYR A 117 1.366 -11.215 -1.853 1.00 0.00 C ATOM 1812 CE1 TYR A 117 0.169 -10.280 0.515 1.00 0.00 C ATOM 1813 CE2 TYR A 117 -0.019 -11.004 -1.812 1.00 0.00 C ATOM 1814 CZ TYR A 117 -0.631 -10.588 -0.610 1.00 0.00 C ATOM 1815 OH TYR A 117 -1.986 -10.489 -0.537 1.00 0.00 O ATOM 0 H TYR A 117 5.431 -12.983 -1.276 1.00 0.00 H new ATOM 0 HA TYR A 117 3.801 -12.712 1.044 1.00 0.00 H new ATOM 0 HB2 TYR A 117 4.196 -10.750 -0.163 1.00 0.00 H new ATOM 0 HB3 TYR A 117 3.950 -11.522 -1.717 1.00 0.00 H new ATOM 0 HD1 TYR A 117 2.167 -10.269 1.332 1.00 0.00 H new ATOM 0 HD2 TYR A 117 1.835 -11.543 -2.769 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -0.287 -9.881 1.409 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -0.617 -11.159 -2.698 1.00 0.00 H new ATOM 0 HH TYR A 117 -2.379 -10.736 -1.400 1.00 0.00 H new ATOM 1825 N GLN A 118 2.523 -14.422 -1.479 1.00 0.00 N ATOM 1826 CA GLN A 118 1.555 -15.474 -1.763 1.00 0.00 C ATOM 1827 C GLN A 118 1.656 -16.560 -0.682 1.00 0.00 C ATOM 1828 O GLN A 118 0.645 -16.878 -0.073 1.00 0.00 O ATOM 1829 CB GLN A 118 1.686 -15.990 -3.219 1.00 0.00 C ATOM 1830 CG GLN A 118 1.825 -17.515 -3.335 1.00 0.00 C ATOM 1831 CD GLN A 118 2.062 -18.060 -4.732 1.00 0.00 C ATOM 1832 OE1 GLN A 118 1.898 -17.384 -5.748 1.00 0.00 O ATOM 1833 NE2 GLN A 118 2.503 -19.306 -4.792 1.00 0.00 N ATOM 0 H GLN A 118 3.166 -14.233 -2.248 1.00 0.00 H new ATOM 0 HA GLN A 118 0.541 -15.078 -1.713 1.00 0.00 H new ATOM 0 HB2 GLN A 118 0.811 -15.672 -3.786 1.00 0.00 H new ATOM 0 HB3 GLN A 118 2.554 -15.521 -3.682 1.00 0.00 H new ATOM 0 HG2 GLN A 118 2.650 -17.834 -2.698 1.00 0.00 H new ATOM 0 HG3 GLN A 118 0.920 -17.973 -2.937 1.00 0.00 H new ATOM 0 HE21 GLN A 118 2.630 -19.844 -3.935 1.00 0.00 H new ATOM 0 HE22 GLN A 118 2.716 -19.729 -5.696 1.00 0.00 H new ATOM 1842 N GLU A 119 2.837 -17.121 -0.401 1.00 0.00 N ATOM 1843 CA GLU A 119 2.924 -18.269 0.500 1.00 0.00 C ATOM 1844 C GLU A 119 2.579 -17.836 1.938 1.00 0.00 C ATOM 1845 O GLU A 119 2.095 -18.640 2.728 1.00 0.00 O ATOM 1846 CB GLU A 119 4.297 -18.965 0.461 1.00 0.00 C ATOM 1847 CG GLU A 119 4.971 -19.258 -0.900 1.00 0.00 C ATOM 1848 CD GLU A 119 4.231 -20.138 -1.922 1.00 0.00 C ATOM 1849 OE1 GLU A 119 2.981 -20.154 -1.979 1.00 0.00 O ATOM 1850 OE2 GLU A 119 4.924 -20.774 -2.750 1.00 0.00 O ATOM 0 H GLU A 119 3.730 -16.804 -0.778 1.00 0.00 H new ATOM 0 HA GLU A 119 2.197 -19.003 0.152 1.00 0.00 H new ATOM 0 HB2 GLU A 119 4.988 -18.354 1.041 1.00 0.00 H new ATOM 0 HB3 GLU A 119 4.195 -19.915 0.985 1.00 0.00 H new ATOM 0 HG2 GLU A 119 5.178 -18.301 -1.378 1.00 0.00 H new ATOM 0 HG3 GLU A 119 5.934 -19.727 -0.697 1.00 0.00 H new